smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[NH2+]CC[NH+]1CCCC1 20126979 537781305 /nfs/dbraw/zinc/78/13/05/537781305.db2.gz ARYGKOJAJQFAEN-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CC[C@@H](C)[NH2+]CC[NH+]1CCCC1 20126978 537782909 /nfs/dbraw/zinc/78/29/09/537782909.db2.gz ARYGKOJAJQFAEN-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP [NH3+]Cc1nc(C[NH+]2CCCC2)cs1 20439941 537785109 /nfs/dbraw/zinc/78/51/09/537785109.db2.gz HVAUMOXZSHDFQF-UHFFFAOYSA-N 2 2 197.307 1.198 10 0 ADAELP CCC[NH2+][C@H]1C[N@H+](C)CC1(C)C 675075101 537790060 /nfs/dbraw/zinc/79/00/60/537790060.db2.gz KTZTXWGBQFULSE-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@H]1C[N@@H+](C)CC1(C)C 675075101 537790066 /nfs/dbraw/zinc/79/00/66/537790066.db2.gz KTZTXWGBQFULSE-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@@H]1C[N@H+](C)CC1(C)C 675075100 537790546 /nfs/dbraw/zinc/79/05/46/537790546.db2.gz KTZTXWGBQFULSE-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@@H]1C[N@@H+](C)CC1(C)C 675075100 537790551 /nfs/dbraw/zinc/79/05/51/537790551.db2.gz KTZTXWGBQFULSE-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](C)CC1(C)C 675075381 537791708 /nfs/dbraw/zinc/79/17/08/537791708.db2.gz NZCMRATUAKGVPH-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C)CC1(C)C 675075381 537791717 /nfs/dbraw/zinc/79/17/17/537791717.db2.gz NZCMRATUAKGVPH-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP [NH3+][C@@H]1C=C(c2ccccc2)C[NH2+]C1 675076603 537792213 /nfs/dbraw/zinc/79/22/13/537792213.db2.gz DXMINXAMGUYZJQ-LLVKDONJSA-N 2 2 174.247 1.001 10 0 ADAELP CC(C)CC[NH2+][C@@H]1C[N@H+](C)CC1(C)C 675076697 537793025 /nfs/dbraw/zinc/79/30/25/537793025.db2.gz YJVPBKQXPNRTDT-LLVKDONJSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)CC[NH2+][C@@H]1C[N@@H+](C)CC1(C)C 675076697 537793032 /nfs/dbraw/zinc/79/30/32/537793032.db2.gz YJVPBKQXPNRTDT-LLVKDONJSA-N 2 2 198.354 1.962 10 0 ADAELP [NH3+][C@H]1C=C(Cc2ccccc2)C[NH2+]C1 675076813 537793257 /nfs/dbraw/zinc/79/32/57/537793257.db2.gz GISFTLVUCYNSBK-LBPRGKRZSA-N 2 2 188.274 1.086 10 0 ADAELP [NH3+][C@@H]1C=C(c2ccc(F)cc2)C[NH2+]C1 675077875 537797616 /nfs/dbraw/zinc/79/76/16/537797616.db2.gz JPHPRGFQNCXBCV-LLVKDONJSA-N 2 2 192.237 1.140 10 0 ADAELP CC[C@@H](C)C[NH2+][C@@H]1C[N@H+](C)CC1(C)C 675075378 537793767 /nfs/dbraw/zinc/79/37/67/537793767.db2.gz NZCMRATUAKGVPH-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C)C[NH2+][C@@H]1C[N@@H+](C)CC1(C)C 675075378 537793769 /nfs/dbraw/zinc/79/37/69/537793769.db2.gz NZCMRATUAKGVPH-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP Cc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cc1 675076587 537793836 /nfs/dbraw/zinc/79/38/36/537793836.db2.gz DRCXVJOXAMEXPF-GFCCVEGCSA-N 2 2 188.274 1.309 10 0 ADAELP CC(C)CC[NH2+][C@H]1C[N@H+](C)CC1(C)C 675076698 537794185 /nfs/dbraw/zinc/79/41/85/537794185.db2.gz YJVPBKQXPNRTDT-NSHDSACASA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)CC[NH2+][C@H]1C[N@@H+](C)CC1(C)C 675076698 537794190 /nfs/dbraw/zinc/79/41/90/537794190.db2.gz YJVPBKQXPNRTDT-NSHDSACASA-N 2 2 198.354 1.962 10 0 ADAELP Cc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)cc1 675076589 537794338 /nfs/dbraw/zinc/79/43/38/537794338.db2.gz DRCXVJOXAMEXPF-LBPRGKRZSA-N 2 2 188.274 1.309 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@H+](C)CC1(C)C 675075380 537794419 /nfs/dbraw/zinc/79/44/19/537794419.db2.gz NZCMRATUAKGVPH-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](C)CC1(C)C 675075380 537794424 /nfs/dbraw/zinc/79/44/24/537794424.db2.gz NZCMRATUAKGVPH-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP [NH3+][C@@H]1C=C(Cc2ccccc2)C[NH2+]C1 675076811 537794955 /nfs/dbraw/zinc/79/49/55/537794955.db2.gz GISFTLVUCYNSBK-GFCCVEGCSA-N 2 2 188.274 1.086 10 0 ADAELP CC[C@@H](C)C[NH2+][C@H]1C[N@H+](C)CC1(C)C 675075379 537795097 /nfs/dbraw/zinc/79/50/97/537795097.db2.gz NZCMRATUAKGVPH-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C)C[NH2+][C@H]1C[N@@H+](C)CC1(C)C 675075379 537795104 /nfs/dbraw/zinc/79/51/04/537795104.db2.gz NZCMRATUAKGVPH-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[NH2+][C@H]1C[N@H+](C)CC1(C)C 675076443 537795159 /nfs/dbraw/zinc/79/51/59/537795159.db2.gz WXIOXOPHBHDSQJ-JTQLQIEISA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)C[NH2+][C@H]1C[N@@H+](C)CC1(C)C 675076443 537795164 /nfs/dbraw/zinc/79/51/64/537795164.db2.gz WXIOXOPHBHDSQJ-JTQLQIEISA-N 2 2 184.327 1.572 10 0 ADAELP [NH3+][C@H]1C=C(c2ccccc2)C[NH2+]C1 675076606 537795374 /nfs/dbraw/zinc/79/53/74/537795374.db2.gz DXMINXAMGUYZJQ-NSHDSACASA-N 2 2 174.247 1.001 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@H+](C)CC1(C)C 675076444 537795583 /nfs/dbraw/zinc/79/55/83/537795583.db2.gz WXIOXOPHBHDSQJ-SNVBAGLBSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@@H+](C)CC1(C)C 675076444 537795589 /nfs/dbraw/zinc/79/55/89/537795589.db2.gz WXIOXOPHBHDSQJ-SNVBAGLBSA-N 2 2 184.327 1.572 10 0 ADAELP [NH3+][C@@H]1C=C(c2cccs2)C[NH2+]C1 675077837 537796339 /nfs/dbraw/zinc/79/63/39/537796339.db2.gz JDPHHJVTVXVWAN-MRVPVSSYSA-N 2 2 180.276 1.062 10 0 ADAELP Cc1ccsc1C1=C[C@H]([NH3+])C[NH2+]C1 675078116 537796583 /nfs/dbraw/zinc/79/65/83/537796583.db2.gz WBFAPASUIGTPKE-VIFPVBQESA-N 2 2 194.303 1.370 10 0 ADAELP [NH3+][C@@H]1C=C(Cc2cccs2)C[NH2+]C1 675078054 537796974 /nfs/dbraw/zinc/79/69/74/537796974.db2.gz VGUDXGIGPVXEBL-SECBINFHSA-N 2 2 194.303 1.148 10 0 ADAELP Cc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)s1 675078161 537797096 /nfs/dbraw/zinc/79/70/96/537797096.db2.gz WNIVOBFOXQAVPT-VIFPVBQESA-N 2 2 194.303 1.370 10 0 ADAELP [NH3+][C@@H]1C=C(c2ccsc2)C[NH2+]C1 675077223 537797296 /nfs/dbraw/zinc/79/72/96/537797296.db2.gz BBVDLMVPFPNYRZ-SECBINFHSA-N 2 2 180.276 1.062 10 0 ADAELP [NH3+][C@H]1C=C(Cc2cccs2)C[NH2+]C1 675078056 537797519 /nfs/dbraw/zinc/79/75/19/537797519.db2.gz VGUDXGIGPVXEBL-VIFPVBQESA-N 2 2 194.303 1.148 10 0 ADAELP Cc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)s1 675078160 537797667 /nfs/dbraw/zinc/79/76/67/537797667.db2.gz WNIVOBFOXQAVPT-SECBINFHSA-N 2 2 194.303 1.370 10 0 ADAELP [NH3+][C@H]1C=C(c2cccs2)C[NH2+]C1 675077838 537798044 /nfs/dbraw/zinc/79/80/44/537798044.db2.gz JDPHHJVTVXVWAN-QMMMGPOBSA-N 2 2 180.276 1.062 10 0 ADAELP Cc1cccc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 675077202 537798264 /nfs/dbraw/zinc/79/82/64/537798264.db2.gz AMCKUOSUOBLQPH-LBPRGKRZSA-N 2 2 188.274 1.309 10 0 ADAELP Cc1cccc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 675077201 537798923 /nfs/dbraw/zinc/79/89/23/537798923.db2.gz AMCKUOSUOBLQPH-GFCCVEGCSA-N 2 2 188.274 1.309 10 0 ADAELP Cc1ccsc1C1=C[C@@H]([NH3+])C[NH2+]C1 675078113 537799405 /nfs/dbraw/zinc/79/94/05/537799405.db2.gz WBFAPASUIGTPKE-SECBINFHSA-N 2 2 194.303 1.370 10 0 ADAELP [NH3+][C@H]1C=C(c2ccsc2)C[NH2+]C1 675077224 537799491 /nfs/dbraw/zinc/79/94/91/537799491.db2.gz BBVDLMVPFPNYRZ-VIFPVBQESA-N 2 2 180.276 1.062 10 0 ADAELP [NH3+][C@@H]1C=C(Cc2ccsc2)C[NH2+]C1 675078089 537799747 /nfs/dbraw/zinc/79/97/47/537799747.db2.gz VQMOOYFADQBXRT-SNVBAGLBSA-N 2 2 194.303 1.148 10 0 ADAELP [NH3+][C@H]1C=C(Cc2ccsc2)C[NH2+]C1 675078087 537799920 /nfs/dbraw/zinc/79/99/20/537799920.db2.gz VQMOOYFADQBXRT-JTQLQIEISA-N 2 2 194.303 1.148 10 0 ADAELP [NH3+][C@H]1C=C(c2ccc(F)cc2)C[NH2+]C1 675077877 537800313 /nfs/dbraw/zinc/80/03/13/537800313.db2.gz JPHPRGFQNCXBCV-NSHDSACASA-N 2 2 192.237 1.140 10 0 ADAELP [NH3+][C@H]1C=C(c2cccc(F)c2)C[NH2+]C1 675079533 537802905 /nfs/dbraw/zinc/80/29/05/537802905.db2.gz ZZTYZBNOPYQVLJ-NSHDSACASA-N 2 2 192.237 1.140 10 0 ADAELP Cc1ccccc1C1=C[C@H]([NH3+])C[NH2+]C1 675079515 537805658 /nfs/dbraw/zinc/80/56/58/537805658.db2.gz ZWFUBYFACAHSBE-NSHDSACASA-N 2 2 188.274 1.309 10 0 ADAELP Cc1ccccc1C1=C[C@@H]([NH3+])C[NH2+]C1 675079514 537805995 /nfs/dbraw/zinc/80/59/95/537805995.db2.gz ZWFUBYFACAHSBE-LLVKDONJSA-N 2 2 188.274 1.309 10 0 ADAELP [NH3+][C@@H]1C=C(c2cccc(F)c2)C[NH2+]C1 675079521 537806134 /nfs/dbraw/zinc/80/61/34/537806134.db2.gz ZZTYZBNOPYQVLJ-LLVKDONJSA-N 2 2 192.237 1.140 10 0 ADAELP CCC[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 37107321 537807072 /nfs/dbraw/zinc/80/70/72/537807072.db2.gz YJIFJODLAVXWHU-MNOVXSKESA-N 2 2 193.294 1.976 10 0 ADAELP CC(C)[NH2+][C@@H](C)Cn1cc[nH+]c1 37158149 537807795 /nfs/dbraw/zinc/80/77/95/537807795.db2.gz GJSYAXBNFJIUTF-VIFPVBQESA-N 2 2 167.256 1.270 10 0 ADAELP CC(C)[NH2+][C@H](C)Cn1cc[nH+]c1 37158151 537808642 /nfs/dbraw/zinc/80/86/42/537808642.db2.gz GJSYAXBNFJIUTF-SECBINFHSA-N 2 2 167.256 1.270 10 0 ADAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CC1CC1 37167267 537810833 /nfs/dbraw/zinc/81/08/33/537810833.db2.gz OOGSUUUHZWSEQU-LBPRGKRZSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C(C)C 37167212 537811674 /nfs/dbraw/zinc/81/16/74/537811674.db2.gz ZDTGTZGYBSPSOC-LLVKDONJSA-N 2 2 186.343 1.961 10 0 ADAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C(C)C 37167211 537811941 /nfs/dbraw/zinc/81/19/41/537811941.db2.gz ZDTGTZGYBSPSOC-NSHDSACASA-N 2 2 186.343 1.961 10 0 ADAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC1CC1 37167268 537812719 /nfs/dbraw/zinc/81/27/19/537812719.db2.gz OOGSUUUHZWSEQU-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@H+](CC[NH2+]C(C)C)C1CC1 37477282 537814413 /nfs/dbraw/zinc/81/44/13/537814413.db2.gz APJOQNHIUHOEFE-UHFFFAOYSA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@@H+](CC[NH2+]C(C)C)C1CC1 37477282 537814422 /nfs/dbraw/zinc/81/44/22/537814422.db2.gz APJOQNHIUHOEFE-UHFFFAOYSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1CC1 37478472 537815689 /nfs/dbraw/zinc/81/56/89/537815689.db2.gz FWTVVMGAFMRZMR-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCCC[N@H+]1CC[NH2+]CC1CC1 37478472 537815699 /nfs/dbraw/zinc/81/56/99/537815699.db2.gz FWTVVMGAFMRZMR-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCCC[N@@H+]1CC[NH2+]CC1CC1 37478473 537818154 /nfs/dbraw/zinc/81/81/54/537818154.db2.gz FWTVVMGAFMRZMR-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCCC[N@H+]1CC[NH2+]CC1CC1 37478473 537818161 /nfs/dbraw/zinc/81/81/61/537818161.db2.gz FWTVVMGAFMRZMR-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CCCC[N@H+](C)CC[NH2+]C(C)C 37477256 537818652 /nfs/dbraw/zinc/81/86/52/537818652.db2.gz CEXSTXATKDMWBP-UHFFFAOYSA-N 2 2 172.316 1.716 10 0 ADAELP CCCC[N@@H+](C)CC[NH2+]C(C)C 37477256 537818661 /nfs/dbraw/zinc/81/86/61/537818661.db2.gz CEXSTXATKDMWBP-UHFFFAOYSA-N 2 2 172.316 1.716 10 0 ADAELP CCC[N@H+](C)[C@@H]1CC[NH2+]C[C@H]1F 685948396 537821656 /nfs/dbraw/zinc/82/16/56/537821656.db2.gz MCZNRCPWPDQIOV-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CC[NH2+]C[C@H]1F 685948396 537821657 /nfs/dbraw/zinc/82/16/57/537821657.db2.gz MCZNRCPWPDQIOV-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@H+](C)[C@@H]1CC[NH2+]C[C@@H]1F 685948394 537821775 /nfs/dbraw/zinc/82/17/75/537821775.db2.gz MCZNRCPWPDQIOV-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1F 685948394 537821782 /nfs/dbraw/zinc/82/17/82/537821782.db2.gz MCZNRCPWPDQIOV-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@H+](C)[C@H]1CC[NH2+]C[C@H]1F 685948393 537821879 /nfs/dbraw/zinc/82/18/79/537821879.db2.gz MCZNRCPWPDQIOV-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@@H+](C)[C@H]1CC[NH2+]C[C@H]1F 685948393 537821886 /nfs/dbraw/zinc/82/18/86/537821886.db2.gz MCZNRCPWPDQIOV-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@H+](C)[C@H]1CC[NH2+]C[C@@H]1F 685948395 537822243 /nfs/dbraw/zinc/82/22/43/537822243.db2.gz MCZNRCPWPDQIOV-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@@H+](C)[C@H]1CC[NH2+]C[C@@H]1F 685948395 537822246 /nfs/dbraw/zinc/82/22/46/537822246.db2.gz MCZNRCPWPDQIOV-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP CCC[C@@H](C)C[NH2+]C[C@@H](C)[NH+](C)C 38088153 537824038 /nfs/dbraw/zinc/82/40/38/537824038.db2.gz UOARUBMWDACLSV-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC(C)C[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088813 537824570 /nfs/dbraw/zinc/82/45/70/537824570.db2.gz FOLYUMWQMCFKNP-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CC[NH2+]C[C@@H]1F 685948931 537825444 /nfs/dbraw/zinc/82/54/44/537825444.db2.gz XCVBSGZGSCAZCK-VHSXEESVSA-N 2 2 188.290 1.418 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CC[NH2+]C[C@@H]1F 685948931 537825454 /nfs/dbraw/zinc/82/54/54/537825454.db2.gz XCVBSGZGSCAZCK-VHSXEESVSA-N 2 2 188.290 1.418 10 0 ADAELP CCC[C@H](C)C[NH2+]C[C@@H](C)[NH+](C)C 38088154 537825476 /nfs/dbraw/zinc/82/54/76/537825476.db2.gz UOARUBMWDACLSV-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CC[NH2+]C[C@H]1F 685948929 537825597 /nfs/dbraw/zinc/82/55/97/537825597.db2.gz XCVBSGZGSCAZCK-NXEZZACHSA-N 2 2 188.290 1.418 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CC[NH2+]C[C@H]1F 685948929 537825599 /nfs/dbraw/zinc/82/55/99/537825599.db2.gz XCVBSGZGSCAZCK-NXEZZACHSA-N 2 2 188.290 1.418 10 0 ADAELP CC(C)C[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C 38088812 537826524 /nfs/dbraw/zinc/82/65/24/537826524.db2.gz FOLYUMWQMCFKNP-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CCC[N@H+](CC)[C@H]1CC[NH2+]C[C@H]1F 685948932 537826831 /nfs/dbraw/zinc/82/68/31/537826831.db2.gz XCVBSGZGSCAZCK-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CC[NH2+]C[C@H]1F 685948932 537826834 /nfs/dbraw/zinc/82/68/34/537826834.db2.gz XCVBSGZGSCAZCK-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP CCC[N@H+](CC)[C@H]1CC[NH2+]C[C@@H]1F 685948930 537827866 /nfs/dbraw/zinc/82/78/66/537827866.db2.gz XCVBSGZGSCAZCK-UWVGGRQHSA-N 2 2 188.290 1.418 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CC[NH2+]C[C@@H]1F 685948930 537827872 /nfs/dbraw/zinc/82/78/72/537827872.db2.gz XCVBSGZGSCAZCK-UWVGGRQHSA-N 2 2 188.290 1.418 10 0 ADAELP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 40672499 537833699 /nfs/dbraw/zinc/83/36/99/537833699.db2.gz YACDPFBLKAXTSB-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 40672499 537833710 /nfs/dbraw/zinc/83/37/10/537833710.db2.gz YACDPFBLKAXTSB-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 40502393 537834620 /nfs/dbraw/zinc/83/46/20/537834620.db2.gz UCVUFSYSGDOQPR-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 40502393 537834623 /nfs/dbraw/zinc/83/46/23/537834623.db2.gz UCVUFSYSGDOQPR-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 40502392 537834750 /nfs/dbraw/zinc/83/47/50/537834750.db2.gz UCVUFSYSGDOQPR-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 40502392 537834755 /nfs/dbraw/zinc/83/47/55/537834755.db2.gz UCVUFSYSGDOQPR-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672028 537835719 /nfs/dbraw/zinc/83/57/19/537835719.db2.gz GDZRYTYETDZNSK-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672028 537835722 /nfs/dbraw/zinc/83/57/22/537835722.db2.gz GDZRYTYETDZNSK-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)C1 40672502 537835849 /nfs/dbraw/zinc/83/58/49/537835849.db2.gz YACDPFBLKAXTSB-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)C1 40672502 537835859 /nfs/dbraw/zinc/83/58/59/537835859.db2.gz YACDPFBLKAXTSB-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40672029 537835877 /nfs/dbraw/zinc/83/58/77/537835877.db2.gz GDZRYTYETDZNSK-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40672029 537835887 /nfs/dbraw/zinc/83/58/87/537835887.db2.gz GDZRYTYETDZNSK-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)C1 40672500 537836189 /nfs/dbraw/zinc/83/61/89/537836189.db2.gz YACDPFBLKAXTSB-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 40672500 537836197 /nfs/dbraw/zinc/83/61/97/537836197.db2.gz YACDPFBLKAXTSB-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 40502394 537836838 /nfs/dbraw/zinc/83/68/38/537836838.db2.gz UCVUFSYSGDOQPR-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 40502394 537836844 /nfs/dbraw/zinc/83/68/44/537836844.db2.gz UCVUFSYSGDOQPR-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](C)C1 40672501 537836858 /nfs/dbraw/zinc/83/68/58/537836858.db2.gz YACDPFBLKAXTSB-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](C)C1 40672501 537836872 /nfs/dbraw/zinc/83/68/72/537836872.db2.gz YACDPFBLKAXTSB-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672027 537837164 /nfs/dbraw/zinc/83/71/64/537837164.db2.gz GDZRYTYETDZNSK-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672027 537837173 /nfs/dbraw/zinc/83/71/73/537837173.db2.gz GDZRYTYETDZNSK-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40672030 537837248 /nfs/dbraw/zinc/83/72/48/537837248.db2.gz GDZRYTYETDZNSK-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40672030 537837254 /nfs/dbraw/zinc/83/72/54/537837254.db2.gz GDZRYTYETDZNSK-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CCC(CC)[NH2+][C@@H]1CCC[N@H+](C)C1 40671955 537837749 /nfs/dbraw/zinc/83/77/49/537837749.db2.gz REKSPODCBBIETC-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 40671955 537837760 /nfs/dbraw/zinc/83/77/60/537837760.db2.gz REKSPODCBBIETC-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 40502391 537838127 /nfs/dbraw/zinc/83/81/27/537838127.db2.gz UCVUFSYSGDOQPR-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 40502391 537838139 /nfs/dbraw/zinc/83/81/39/537838139.db2.gz UCVUFSYSGDOQPR-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[NH2+][C@H]1CCC[N@H+](C)C1 40671956 537838566 /nfs/dbraw/zinc/83/85/66/537838566.db2.gz REKSPODCBBIETC-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[NH2+][C@H]1CCC[N@@H+](C)C1 40671956 537838571 /nfs/dbraw/zinc/83/85/71/537838571.db2.gz REKSPODCBBIETC-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)C[C@@H](C)[NH2+]CCn1cc[nH+]c1 41050914 537840751 /nfs/dbraw/zinc/84/07/51/537840751.db2.gz SFOMFPKIXIJKKP-LLVKDONJSA-N 2 2 195.310 1.907 10 0 ADAELP CC(C)C[C@H](C)[NH2+]CCn1cc[nH+]c1 41050915 537842926 /nfs/dbraw/zinc/84/29/26/537842926.db2.gz SFOMFPKIXIJKKP-NSHDSACASA-N 2 2 195.310 1.907 10 0 ADAELP Cc1[nH+]cn(CC(F)(F)C[NH3+])c1C 685956838 537854040 /nfs/dbraw/zinc/85/40/40/537854040.db2.gz LCINOXFNURPLJE-UHFFFAOYSA-N 2 2 189.209 1.094 10 0 ADAELP CC[NH2+]CC(F)(F)Cn1cc[nH+]c1 685957122 537856906 /nfs/dbraw/zinc/85/69/06/537856906.db2.gz QRLDKZHCAQMHRP-UHFFFAOYSA-N 2 2 189.209 1.128 10 0 ADAELP C[NH2+]CC(F)(F)Cn1cc[nH+]c1C 685956933 537857829 /nfs/dbraw/zinc/85/78/29/537857829.db2.gz MSXAVNHQMNVFHN-UHFFFAOYSA-N 2 2 189.209 1.046 10 0 ADAELP C[N@H+](CC[NH3+])CCc1ccc(F)cc1 49811648 537858253 /nfs/dbraw/zinc/85/82/53/537858253.db2.gz KIHZSJCYQUQNOC-UHFFFAOYSA-N 2 2 196.269 1.259 10 0 ADAELP C[N@@H+](CC[NH3+])CCc1ccc(F)cc1 49811648 537858262 /nfs/dbraw/zinc/85/82/62/537858262.db2.gz KIHZSJCYQUQNOC-UHFFFAOYSA-N 2 2 196.269 1.259 10 0 ADAELP CCCc1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 725253362 537917159 /nfs/dbraw/zinc/91/71/59/537917159.db2.gz JRUIGVQHFYXXEW-MRVPVSSYSA-N 2 2 193.294 1.709 10 0 ADAELP Cc1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 725253550 537917880 /nfs/dbraw/zinc/91/78/80/537917880.db2.gz RGWPKUWNKBNNQY-SSDOTTSWSA-N 2 2 165.240 1.065 10 0 ADAELP CCc1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 725253354 537918281 /nfs/dbraw/zinc/91/82/81/537918281.db2.gz JDFINKVPOHVHBN-ZETCQYMHSA-N 2 2 179.267 1.319 10 0 ADAELP CCCc1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 725253375 537918598 /nfs/dbraw/zinc/91/85/98/537918598.db2.gz JRUIGVQHFYXXEW-QMMMGPOBSA-N 2 2 193.294 1.709 10 0 ADAELP CC(C)c1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 725253357 537919654 /nfs/dbraw/zinc/91/96/54/537919654.db2.gz JOZJTZZJSJXDOI-MRVPVSSYSA-N 2 2 193.294 1.880 10 0 ADAELP Cc1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 725253555 537919670 /nfs/dbraw/zinc/91/96/70/537919670.db2.gz RGWPKUWNKBNNQY-ZETCQYMHSA-N 2 2 165.240 1.065 10 0 ADAELP CCc1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 725253353 537919888 /nfs/dbraw/zinc/91/98/88/537919888.db2.gz JDFINKVPOHVHBN-SSDOTTSWSA-N 2 2 179.267 1.319 10 0 ADAELP CC(C)c1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 725253358 537920135 /nfs/dbraw/zinc/92/01/35/537920135.db2.gz JOZJTZZJSJXDOI-QMMMGPOBSA-N 2 2 193.294 1.880 10 0 ADAELP CC[NH2+]C[C@@H]1CCc2[nH]c[nH+]c2C1 725268962 537928399 /nfs/dbraw/zinc/92/83/99/537928399.db2.gz IKQNBXJKAHXCCD-MRVPVSSYSA-N 2 2 179.267 1.124 10 0 ADAELP CC[NH2+]C[C@H]1CCc2[nH]c[nH+]c2C1 725268963 537929004 /nfs/dbraw/zinc/92/90/04/537929004.db2.gz IKQNBXJKAHXCCD-QMMMGPOBSA-N 2 2 179.267 1.124 10 0 ADAELP CCC[NH2+]CC1CC(n2cc[nH+]c2)C1 725269133 537929104 /nfs/dbraw/zinc/92/91/04/537929104.db2.gz LYYNOIJELDBLAH-UHFFFAOYSA-N 2 2 193.294 1.834 10 0 ADAELP CC(C)[NH2+]C[C@H]1CCc2[nH]c[nH+]c2C1 725269715 537930129 /nfs/dbraw/zinc/93/01/29/537930129.db2.gz XQMHPPGSBSPHAL-VIFPVBQESA-N 2 2 193.294 1.513 10 0 ADAELP CC(C)[NH2+]C[C@@H]1CCc2[nH]c[nH+]c2C1 725269714 537930254 /nfs/dbraw/zinc/93/02/54/537930254.db2.gz XQMHPPGSBSPHAL-SECBINFHSA-N 2 2 193.294 1.513 10 0 ADAELP CC(C)[C@@H]1C[C@@H]([N@H+](C)C2CC2)C[NH2+]1 725272406 537932528 /nfs/dbraw/zinc/93/25/28/537932528.db2.gz MIHFLDFQVHWYAB-MNOVXSKESA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@@H]1C[C@@H]([N@@H+](C)C2CC2)C[NH2+]1 725272406 537932533 /nfs/dbraw/zinc/93/25/33/537932533.db2.gz MIHFLDFQVHWYAB-MNOVXSKESA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@@H]1C[C@H]([N@H+](C)C2CC2)C[NH2+]1 725272407 537932958 /nfs/dbraw/zinc/93/29/58/537932958.db2.gz MIHFLDFQVHWYAB-QWRGUYRKSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@@H]1C[C@H]([N@@H+](C)C2CC2)C[NH2+]1 725272407 537932962 /nfs/dbraw/zinc/93/29/62/537932962.db2.gz MIHFLDFQVHWYAB-QWRGUYRKSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@H]1C[C@H]([N@H+](C)C2CC2)C[NH2+]1 725272409 537933048 /nfs/dbraw/zinc/93/30/48/537933048.db2.gz MIHFLDFQVHWYAB-WDEREUQCSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@H]1C[C@H]([N@@H+](C)C2CC2)C[NH2+]1 725272409 537933054 /nfs/dbraw/zinc/93/30/54/537933054.db2.gz MIHFLDFQVHWYAB-WDEREUQCSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@H]1C[C@@H]([N@H+](C)C2CC2)C[NH2+]1 725272405 537933572 /nfs/dbraw/zinc/93/35/72/537933572.db2.gz MIHFLDFQVHWYAB-GHMZBOCLSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@H]1C[C@@H]([N@@H+](C)C2CC2)C[NH2+]1 725272405 537933576 /nfs/dbraw/zinc/93/35/76/537933576.db2.gz MIHFLDFQVHWYAB-GHMZBOCLSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[C@H]1C[C@H]([NH+]2CCC2)C[NH2+]1 725273197 537935442 /nfs/dbraw/zinc/93/54/42/537935442.db2.gz WZRXWUOSLUSXMS-VHSXEESVSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[C@@H]1C[C@@H]([NH+]2CCC2)C[NH2+]1 725273198 537935690 /nfs/dbraw/zinc/93/56/90/537935690.db2.gz WZRXWUOSLUSXMS-ZJUUUORDSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[C@@H]1C[C@H]([NH+]2CCC2)C[NH2+]1 725273196 537936118 /nfs/dbraw/zinc/93/61/18/537936118.db2.gz WZRXWUOSLUSXMS-UWVGGRQHSA-N 2 2 168.284 1.079 10 0 ADAELP CC[N@H+](C)[C@@H]1C[NH2+][C@H](C(C)C)C1 725272562 537936240 /nfs/dbraw/zinc/93/62/40/537936240.db2.gz PUNPZAHEKZAXOC-UWVGGRQHSA-N 2 2 170.300 1.325 10 0 ADAELP CC[N@@H+](C)[C@@H]1C[NH2+][C@H](C(C)C)C1 725272562 537936245 /nfs/dbraw/zinc/93/62/45/537936245.db2.gz PUNPZAHEKZAXOC-UWVGGRQHSA-N 2 2 170.300 1.325 10 0 ADAELP CC[N@H+](C)[C@H]1C[NH2+][C@@H](C(C)C)C1 725272561 537936285 /nfs/dbraw/zinc/93/62/85/537936285.db2.gz PUNPZAHEKZAXOC-NXEZZACHSA-N 2 2 170.300 1.325 10 0 ADAELP CC[N@@H+](C)[C@H]1C[NH2+][C@@H](C(C)C)C1 725272561 537936289 /nfs/dbraw/zinc/93/62/89/537936289.db2.gz PUNPZAHEKZAXOC-NXEZZACHSA-N 2 2 170.300 1.325 10 0 ADAELP CC[N@H+](C)[C@@H]1C[NH2+][C@@H](C(C)C)C1 725272563 537936884 /nfs/dbraw/zinc/93/68/84/537936884.db2.gz PUNPZAHEKZAXOC-VHSXEESVSA-N 2 2 170.300 1.325 10 0 ADAELP CC[N@@H+](C)[C@@H]1C[NH2+][C@@H](C(C)C)C1 725272563 537936887 /nfs/dbraw/zinc/93/68/87/537936887.db2.gz PUNPZAHEKZAXOC-VHSXEESVSA-N 2 2 170.300 1.325 10 0 ADAELP CC(C)[C@H]1C[C@@H]([NH+]2CCC2)C[NH2+]1 725273195 537937318 /nfs/dbraw/zinc/93/73/18/537937318.db2.gz WZRXWUOSLUSXMS-NXEZZACHSA-N 2 2 168.284 1.079 10 0 ADAELP CC[N@H+](C)[C@H]1C[NH2+][C@H](C(C)C)C1 725272564 537937499 /nfs/dbraw/zinc/93/74/99/537937499.db2.gz PUNPZAHEKZAXOC-ZJUUUORDSA-N 2 2 170.300 1.325 10 0 ADAELP CC[N@@H+](C)[C@H]1C[NH2+][C@H](C(C)C)C1 725272564 537937505 /nfs/dbraw/zinc/93/75/05/537937505.db2.gz PUNPZAHEKZAXOC-ZJUUUORDSA-N 2 2 170.300 1.325 10 0 ADAELP CCC[C@H](C)C[NH2+][C@@H](C)C[NH+](C)C 159079871 538028430 /nfs/dbraw/zinc/02/84/30/538028430.db2.gz XTCUTCUCDMLMJI-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CCC[C@@H](C)C[NH2+][C@@H](C)C[NH+](C)C 159079755 538030543 /nfs/dbraw/zinc/03/05/43/538030543.db2.gz XTCUTCUCDMLMJI-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 165143496 538150462 /nfs/dbraw/zinc/15/04/62/538150462.db2.gz GLGHHKYMBOBCSH-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 165143609 538151515 /nfs/dbraw/zinc/15/15/15/538151515.db2.gz GLGHHKYMBOBCSH-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CC=CCC1 166108355 538158758 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/nfs/dbraw/zinc/42/65/18/538426518.db2.gz LKRSKEBHAJBVFI-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 379656564 538426574 /nfs/dbraw/zinc/42/65/74/538426574.db2.gz LKRSKEBHAJBVFI-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 379656564 538426577 /nfs/dbraw/zinc/42/65/77/538426577.db2.gz LKRSKEBHAJBVFI-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 379656562 538426713 /nfs/dbraw/zinc/42/67/13/538426713.db2.gz LKRSKEBHAJBVFI-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 379656562 538426715 /nfs/dbraw/zinc/42/67/15/538426715.db2.gz LKRSKEBHAJBVFI-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C[NH+](CC(C)C)C[C@H]1CC[NH2+]1 384832161 538428551 /nfs/dbraw/zinc/42/85/51/538428551.db2.gz LAXUWSJMWLLIQO-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[NH+](CC(C)C)C[C@@H]1CC[NH2+]1 384832163 538428782 /nfs/dbraw/zinc/42/87/82/538428782.db2.gz LAXUWSJMWLLIQO-LBPRGKRZSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H]1CC[C@H]1[NH2+]CC[NH+](C)C 388394018 538431849 /nfs/dbraw/zinc/43/18/49/538431849.db2.gz FUGXQBFBUCGXAY-VHSXEESVSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@@H]1CC[C@H]1[NH2+]CC[NH+](C)C 388394016 538431991 /nfs/dbraw/zinc/43/19/91/538431991.db2.gz FUGXQBFBUCGXAY-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 388642083 538435579 /nfs/dbraw/zinc/43/55/79/538435579.db2.gz OZSXDZVCWONSMJ-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 388642083 538435580 /nfs/dbraw/zinc/43/55/80/538435580.db2.gz OZSXDZVCWONSMJ-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C 388642085 538435634 /nfs/dbraw/zinc/43/56/34/538435634.db2.gz OZSXDZVCWONSMJ-VWYCJHECSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 388642085 538435635 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/nfs/dbraw/zinc/43/92/27/538439227.db2.gz SVKIWXJXUTUVAE-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 389230445 538439229 /nfs/dbraw/zinc/43/92/29/538439229.db2.gz SVKIWXJXUTUVAE-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 389230449 538439409 /nfs/dbraw/zinc/43/94/09/538439409.db2.gz SVKIWXJXUTUVAE-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 389230449 538439410 /nfs/dbraw/zinc/43/94/10/538439410.db2.gz SVKIWXJXUTUVAE-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C 389230446 538439475 /nfs/dbraw/zinc/43/94/75/538439475.db2.gz SVKIWXJXUTUVAE-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP CCC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 389230446 538439476 /nfs/dbraw/zinc/43/94/76/538439476.db2.gz SVKIWXJXUTUVAE-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP CCC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 389230448 538439538 /nfs/dbraw/zinc/43/95/38/538439538.db2.gz SVKIWXJXUTUVAE-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 389230448 538439539 /nfs/dbraw/zinc/43/95/39/538439539.db2.gz SVKIWXJXUTUVAE-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 389270602 538440399 /nfs/dbraw/zinc/44/03/99/538440399.db2.gz LMBHOIQLUBLVQS-BJDJZHNGSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 389270602 538440400 /nfs/dbraw/zinc/44/04/00/538440400.db2.gz LMBHOIQLUBLVQS-BJDJZHNGSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 389270609 538440488 /nfs/dbraw/zinc/44/04/88/538440488.db2.gz LMBHOIQLUBLVQS-FIQHERPVSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 389270609 538440489 /nfs/dbraw/zinc/44/04/89/538440489.db2.gz LMBHOIQLUBLVQS-FIQHERPVSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C 389270614 538440506 /nfs/dbraw/zinc/44/05/06/538440506.db2.gz LMBHOIQLUBLVQS-USZNOCQGSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 389270614 538440508 /nfs/dbraw/zinc/44/05/08/538440508.db2.gz LMBHOIQLUBLVQS-USZNOCQGSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@H](C[N@H+](C)C2CC2)[NH2+]1 669381722 538445607 /nfs/dbraw/zinc/44/56/07/538445607.db2.gz SVONIUXUBHQZRL-OUAUKWLOSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@H](C[N@@H+](C)C2CC2)[NH2+]1 669381722 538445608 /nfs/dbraw/zinc/44/56/08/538445608.db2.gz SVONIUXUBHQZRL-OUAUKWLOSA-N 2 2 196.338 1.857 10 0 ADAELP CC[N@H+](C)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 669381793 538445635 /nfs/dbraw/zinc/44/56/35/538445635.db2.gz VLNNMEKTVKYVHB-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C)C[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 669381793 538445636 /nfs/dbraw/zinc/44/56/36/538445636.db2.gz VLNNMEKTVKYVHB-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@@H](C[N@H+](C)C2CC2)[NH2+]1 669381723 538445650 /nfs/dbraw/zinc/44/56/50/538445650.db2.gz SVONIUXUBHQZRL-VWYCJHECSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@@H](C[N@@H+](C)C2CC2)[NH2+]1 669381723 538445652 /nfs/dbraw/zinc/44/56/52/538445652.db2.gz SVONIUXUBHQZRL-VWYCJHECSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@@H](C)[NH2+][C@@H](C[N@H+](C)C2CC2)C1 669381720 538445657 /nfs/dbraw/zinc/44/56/57/538445657.db2.gz SVONIUXUBHQZRL-GMTAPVOTSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@@H](C)[NH2+][C@@H](C[N@@H+](C)C2CC2)C1 669381720 538445658 /nfs/dbraw/zinc/44/56/58/538445658.db2.gz SVONIUXUBHQZRL-GMTAPVOTSA-N 2 2 196.338 1.857 10 0 ADAELP CC[N@H+](C)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 669381794 538445734 /nfs/dbraw/zinc/44/57/34/538445734.db2.gz VLNNMEKTVKYVHB-MXWKQRLJSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C)C[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 669381794 538445735 /nfs/dbraw/zinc/44/57/35/538445735.db2.gz VLNNMEKTVKYVHB-MXWKQRLJSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+](C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381795 538445801 /nfs/dbraw/zinc/44/58/01/538445801.db2.gz VLNNMEKTVKYVHB-VWYCJHECSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C)C[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 669381795 538445803 /nfs/dbraw/zinc/44/58/03/538445803.db2.gz VLNNMEKTVKYVHB-VWYCJHECSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1C[C@@H](C[N@H+](C)C2CC2)[NH2+][C@H](C)C1 669381721 538445872 /nfs/dbraw/zinc/44/58/72/538445872.db2.gz SVONIUXUBHQZRL-MXWKQRLJSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H](C[N@@H+](C)C2CC2)[NH2+][C@H](C)C1 669381721 538445874 /nfs/dbraw/zinc/44/58/74/538445874.db2.gz SVONIUXUBHQZRL-MXWKQRLJSA-N 2 2 196.338 1.857 10 0 ADAELP CC[N@H+](C)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 669381792 538446039 /nfs/dbraw/zinc/44/60/39/538446039.db2.gz VLNNMEKTVKYVHB-AXFHLTTASA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C)C[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 669381792 538446041 /nfs/dbraw/zinc/44/60/41/538446041.db2.gz VLNNMEKTVKYVHB-AXFHLTTASA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[NH+](CC1=[NH+]CCCN1)C(C)C 669384785 538446816 /nfs/dbraw/zinc/44/68/16/538446816.db2.gz GIUCRRMRCIASDU-UHFFFAOYSA-N 2 2 197.326 1.497 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1CC1=[NH+]CCCN1 669385093 538446822 /nfs/dbraw/zinc/44/68/22/538446822.db2.gz XHWTURAKSYQBGE-SNVBAGLBSA-N 2 2 195.310 1.253 10 0 ADAELP C[C@@H]1CCCC[N@H+]1CC1=[NH+]CCCN1 669385093 538446823 /nfs/dbraw/zinc/44/68/23/538446823.db2.gz XHWTURAKSYQBGE-SNVBAGLBSA-N 2 2 195.310 1.253 10 0 ADAELP C[C@H]1CCC[N@H+](CC2=[NH+]CCCN2)C1 669384792 538446832 /nfs/dbraw/zinc/44/68/32/538446832.db2.gz GLVUCAWLSNZIRO-JTQLQIEISA-N 2 2 195.310 1.110 10 0 ADAELP C[C@H]1CCC[N@@H+](CC2=[NH+]CCCN2)C1 669384792 538446833 /nfs/dbraw/zinc/44/68/33/538446833.db2.gz GLVUCAWLSNZIRO-JTQLQIEISA-N 2 2 195.310 1.110 10 0 ADAELP CC[N@@H+](CC1=[NH+]CCCN1)CC(C)C 669384919 538446977 /nfs/dbraw/zinc/44/69/77/538446977.db2.gz NONCIJUXBNMTBL-UHFFFAOYSA-N 2 2 197.326 1.356 10 0 ADAELP CC[N@H+](CC1=[NH+]CCCN1)CC(C)C 669384919 538446979 /nfs/dbraw/zinc/44/69/79/538446979.db2.gz NONCIJUXBNMTBL-UHFFFAOYSA-N 2 2 197.326 1.356 10 0 ADAELP C[C@H]1CCCC[N@@H+]1CC1=[NH+]CCCN1 669385092 538447037 /nfs/dbraw/zinc/44/70/37/538447037.db2.gz XHWTURAKSYQBGE-JTQLQIEISA-N 2 2 195.310 1.253 10 0 ADAELP C[C@H]1CCCC[N@H+]1CC1=[NH+]CCCN1 669385092 538447038 /nfs/dbraw/zinc/44/70/38/538447038.db2.gz XHWTURAKSYQBGE-JTQLQIEISA-N 2 2 195.310 1.253 10 0 ADAELP CCC[N@H+](CC)CC1=[NH+]CCCN1 669384850 538447065 /nfs/dbraw/zinc/44/70/65/538447065.db2.gz JYZVTBJMINEWNL-UHFFFAOYSA-N 2 2 183.299 1.110 10 0 ADAELP CCC[N@@H+](CC)CC1=[NH+]CCCN1 669384850 538447066 /nfs/dbraw/zinc/44/70/66/538447066.db2.gz JYZVTBJMINEWNL-UHFFFAOYSA-N 2 2 183.299 1.110 10 0 ADAELP CCC[NH+](CCC)CC1=[NH+]CCCN1 669384715 538447261 /nfs/dbraw/zinc/44/72/61/538447261.db2.gz CEVQPJKPXOKYPL-UHFFFAOYSA-N 2 2 197.326 1.500 10 0 ADAELP C[C@@H]1CCC[N@H+](CC2=[NH+]CCCN2)C1 669384793 538447263 /nfs/dbraw/zinc/44/72/63/538447263.db2.gz GLVUCAWLSNZIRO-SNVBAGLBSA-N 2 2 195.310 1.110 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC2=[NH+]CCCN2)C1 669384793 538447264 /nfs/dbraw/zinc/44/72/64/538447264.db2.gz GLVUCAWLSNZIRO-SNVBAGLBSA-N 2 2 195.310 1.110 10 0 ADAELP C1CC[NH+](CC23CCC(CC2)[NH2+]3)C1 675056878 538449564 /nfs/dbraw/zinc/44/95/64/538449564.db2.gz YATMSIRLWRGNNU-UHFFFAOYSA-N 2 2 180.295 1.367 10 0 ADAELP C[NH+](C)C[C@@H]1CCC2(CCCC2)C[NH2+]1 606271810 541347435 /nfs/dbraw/zinc/34/74/35/541347435.db2.gz BFXZMCYOBKBASL-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[NH+](C)C[C@H]1CCC2(CCCC2)C[NH2+]1 606271809 541347783 /nfs/dbraw/zinc/34/77/83/541347783.db2.gz BFXZMCYOBKBASL-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[C@@H](C)[NH2+][C@@H](C[NH+](C)C)C1 669381251 541348601 /nfs/dbraw/zinc/34/86/01/541348601.db2.gz CVUJEADRFZMBNX-OPRDCNLKSA-N 2 2 170.300 1.325 10 0 ADAELP C[C@@H]1C[C@@H](C)[NH2+][C@@H](C[NH+]2CCC2)C1 669381304 541348841 /nfs/dbraw/zinc/34/88/41/541348841.db2.gz FQQDRLLKYNZSDT-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@H](C[NH+](C)C)[NH2+]1 669381250 541349018 /nfs/dbraw/zinc/34/90/18/541349018.db2.gz CVUJEADRFZMBNX-KXUCPTDWSA-N 2 2 170.300 1.325 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@H](C[NH+]2CCC2)[NH2+]1 669381306 541349093 /nfs/dbraw/zinc/34/90/93/541349093.db2.gz FQQDRLLKYNZSDT-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H](C[NH+]2CCC2)[NH2+][C@H](C)C1 669381305 541349304 /nfs/dbraw/zinc/34/93/04/541349304.db2.gz FQQDRLLKYNZSDT-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@@H](C[NH+]2CCC2)[NH2+]1 669381307 541349619 /nfs/dbraw/zinc/34/96/19/541349619.db2.gz FQQDRLLKYNZSDT-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1 669381249 541350029 /nfs/dbraw/zinc/35/00/29/541350029.db2.gz CVUJEADRFZMBNX-BBBLOLIVSA-N 2 2 170.300 1.325 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@@H](C[NH+](C)C)[NH2+]1 669381252 541350150 /nfs/dbraw/zinc/35/01/50/541350150.db2.gz CVUJEADRFZMBNX-UTLUCORTSA-N 2 2 170.300 1.325 10 0 ADAELP CC[NH+]1CCC([NH+]2CCC2)CC1 149326982 756993671 /nfs/dbraw/zinc/99/36/71/756993671.db2.gz ZMOUGSFPZACVPA-UHFFFAOYSA-N 2 2 168.284 1.176 10 0 ADAELP CC1(Nc2cccc[nH+]2)CC[NH2+]CC1 160582900 757001515 /nfs/dbraw/zinc/00/15/15/757001515.db2.gz LFSNQCINXSRUME-UHFFFAOYSA-N 2 2 191.278 1.636 10 0 ADAELP CCC[C@@]([NH3+])(C[NH3+])c1ccccc1 22043018 571686448 /nfs/dbraw/zinc/68/64/48/571686448.db2.gz MSHRGLIWCXUXDG-LLVKDONJSA-N 2 2 178.279 1.599 10 0 ADAELP CCC[C@H]1CCC[N@H+](CC(N)=[NH2+])CC1 70613624 571688312 /nfs/dbraw/zinc/68/83/12/571688312.db2.gz OFTCJEIHNVEYGX-JTQLQIEISA-N 2 2 197.326 1.825 10 0 ADAELP CCC[C@H]1CCC[N@@H+](CC(N)=[NH2+])CC1 70613624 571688314 /nfs/dbraw/zinc/68/83/14/571688314.db2.gz OFTCJEIHNVEYGX-JTQLQIEISA-N 2 2 197.326 1.825 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH+]1C[C@@H](C)C[C@H](C)C1 37115995 571688324 /nfs/dbraw/zinc/68/83/24/571688324.db2.gz PKYCVNOAAGMPTG-SRVKXCTJSA-N 2 2 198.354 1.948 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@@H]([NH+]2CCCCC2)C1 23071037 571713912 /nfs/dbraw/zinc/71/39/12/571713912.db2.gz QFLFGXYZISVOAV-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@H](C1CC1)[C@H]1CCCCC[N@H+]1C 214177704 571727251 /nfs/dbraw/zinc/72/72/51/571727251.db2.gz DBUKOPQUKGKWFU-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307491071 757092278 /nfs/dbraw/zinc/09/22/78/757092278.db2.gz GEKGKFBSGVHZOL-WRWGMCAJSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307491071 757092288 /nfs/dbraw/zinc/09/22/88/757092288.db2.gz GEKGKFBSGVHZOL-WRWGMCAJSA-N 2 2 194.322 1.469 10 0 ADAELP Cc1ccc(NCC2C[NH+](C)C2)[nH+]c1 307492889 757092908 /nfs/dbraw/zinc/09/29/08/757092908.db2.gz ZMWDJHUIHGEQBW-UHFFFAOYSA-N 2 2 191.278 1.364 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307491069 757093033 /nfs/dbraw/zinc/09/30/33/757093033.db2.gz GEKGKFBSGVHZOL-USZNOCQGSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307491069 757093049 /nfs/dbraw/zinc/09/30/49/757093049.db2.gz GEKGKFBSGVHZOL-USZNOCQGSA-N 2 2 194.322 1.469 10 0 ADAELP CC[C@@H](C)C[N@H+](C)[C@H](CC)C[NH2+]C 251919619 571825456 /nfs/dbraw/zinc/82/54/56/571825456.db2.gz PZJGCYNWJMRDHW-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C)C[N@@H+](C)[C@H](CC)C[NH2+]C 251919619 571825458 /nfs/dbraw/zinc/82/54/58/571825458.db2.gz PZJGCYNWJMRDHW-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC[N@H+](C)C[C@H](C)[NH2+]C[C@H]1CC1(C)C 300224220 572003761 /nfs/dbraw/zinc/00/37/61/572003761.db2.gz LLWWYGTZEWLBDV-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1CC1(C)C 300224220 572003763 /nfs/dbraw/zinc/00/37/63/572003763.db2.gz LLWWYGTZEWLBDV-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH+](C)C[C@@H]([NH3+])C1=CCCCC1 234268523 571921782 /nfs/dbraw/zinc/92/17/82/571921782.db2.gz ZTWIUYKVMKUPQC-SNVBAGLBSA-N 2 2 168.284 1.376 10 0 ADAELP CC(C)[C@H](C)C[NH2+]CC[NH+](C)C 81058936 571974214 /nfs/dbraw/zinc/97/42/14/571974214.db2.gz VAMKCXDPSLSKKQ-SNVBAGLBSA-N 2 2 172.316 1.430 10 0 ADAELP COc1ccc(NCCCC[NH3+])[nH+]c1 234858438 571979481 /nfs/dbraw/zinc/97/94/81/571979481.db2.gz BYGZLJOPJYRPKT-UHFFFAOYSA-N 2 2 195.266 1.241 10 0 ADAELP COc1ccc(NC[C@@H](C)C[NH3+])[nH+]c1 234864988 571979788 /nfs/dbraw/zinc/97/97/88/571979788.db2.gz FTIOAQBDWSBQJK-QMMMGPOBSA-N 2 2 195.266 1.097 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)CC1CCCC1 82492219 572043656 /nfs/dbraw/zinc/04/36/56/572043656.db2.gz CIRMHYROVIILFX-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)CC1CCCC1 82492219 572043657 /nfs/dbraw/zinc/04/36/57/572043657.db2.gz CIRMHYROVIILFX-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP COc1ccc(N[C@H](C)CC[NH3+])[nH+]c1 234878496 571981074 /nfs/dbraw/zinc/98/10/74/571981074.db2.gz PDPOIMYOWBFAGJ-MRVPVSSYSA-N 2 2 195.266 1.239 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)CC1CCCC1 82492217 572043669 /nfs/dbraw/zinc/04/36/69/572043669.db2.gz CIRMHYROVIILFX-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)CC1CCCC1 82492217 572043670 /nfs/dbraw/zinc/04/36/70/572043670.db2.gz CIRMHYROVIILFX-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCCC[C@H]1C 42607214 572043710 /nfs/dbraw/zinc/04/37/10/572043710.db2.gz COSFQCIDGKYCMK-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCCC[C@H]1C 42607214 572043713 /nfs/dbraw/zinc/04/37/13/572043713.db2.gz COSFQCIDGKYCMK-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CNc1ccccc1C[NH2+][C@H](C)C[NH3+] 234480425 571982558 /nfs/dbraw/zinc/98/25/58/571982558.db2.gz PYEDRYNSHIHFNF-SECBINFHSA-N 2 2 193.294 1.165 10 0 ADAELP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C)C1 300846023 571983162 /nfs/dbraw/zinc/98/31/62/571983162.db2.gz DTHBJONRBITSRG-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C1 300846023 571983165 /nfs/dbraw/zinc/98/31/65/571983165.db2.gz DTHBJONRBITSRG-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP c1[nH]cc(CCC2CC[NH2+]CC2)[nH+]1 13612827 571986996 /nfs/dbraw/zinc/98/69/96/571986996.db2.gz XSOYKCANSOSZRB-UHFFFAOYSA-N 2 2 179.267 1.342 10 0 ADAELP c1[nH]c(CCC2CC[NH2+]CC2)c[nH+]1 13612827 571986997 /nfs/dbraw/zinc/98/69/97/571986997.db2.gz XSOYKCANSOSZRB-UHFFFAOYSA-N 2 2 179.267 1.342 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+](CC)CC1CC1 82686871 572086122 /nfs/dbraw/zinc/08/61/22/572086122.db2.gz DEPXRUKWBNBAEE-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+](CC)CC1CC1 82686871 572086124 /nfs/dbraw/zinc/08/61/24/572086124.db2.gz DEPXRUKWBNBAEE-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc[nH]1 26510976 571996687 /nfs/dbraw/zinc/99/66/87/571996687.db2.gz UAJQMZPHJJYMTJ-SNVBAGLBSA-N 2 2 181.283 1.356 10 0 ADAELP C[NH2+]CC[NH2+][C@@H](C)CC(F)(F)F 234385252 571996744 /nfs/dbraw/zinc/99/67/44/571996744.db2.gz IDXIPRKOODJUOK-LURJTMIESA-N 2 2 184.205 1.136 10 0 ADAELP CC[N@H+](CC1CC1)[C@H](C)[C@@H](C)[NH2+]C 68946760 572004180 /nfs/dbraw/zinc/00/41/80/572004180.db2.gz BYGULJQHQGDALD-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)[NH2+]C 68946760 572004182 /nfs/dbraw/zinc/00/41/82/572004182.db2.gz BYGULJQHQGDALD-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+](CC1CC1)[C@H]1CCCC[C@@H]1[NH3+] 68946715 572003814 /nfs/dbraw/zinc/00/38/14/572003814.db2.gz ZNGUQWNXFQLOPL-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H]1CCCC[C@@H]1[NH3+] 68946715 572003816 /nfs/dbraw/zinc/00/38/16/572003816.db2.gz ZNGUQWNXFQLOPL-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+](CC1CC1)[C@H]1CCC[C@@H]1[NH2+]C 68946807 572003840 /nfs/dbraw/zinc/00/38/40/572003840.db2.gz DIEPZTFEISPFPL-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1[NH2+]C 68946807 572003843 /nfs/dbraw/zinc/00/38/43/572003843.db2.gz DIEPZTFEISPFPL-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H](C)C[NH+]1CCC(CF)CC1 689401473 572008535 /nfs/dbraw/zinc/00/85/35/572008535.db2.gz RDZWFSMEQMPLEH-VIFPVBQESA-N 2 2 188.290 1.276 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH3+] 68946885 572005962 /nfs/dbraw/zinc/00/59/62/572005962.db2.gz GDZLGGJNNZIAHA-BDAKNGLRSA-N 2 2 170.300 1.454 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH3+] 68946885 572005963 /nfs/dbraw/zinc/00/59/63/572005963.db2.gz GDZLGGJNNZIAHA-BDAKNGLRSA-N 2 2 170.300 1.454 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@@H]([NH3+])C1CC1 68946841 572006013 /nfs/dbraw/zinc/00/60/13/572006013.db2.gz OSURCCCXMGCZME-LLVKDONJSA-N 2 2 182.311 1.456 10 0 ADAELP CC[N@H+](CC1CC1)C[C@@H]([NH3+])C1CC1 68946841 572006015 /nfs/dbraw/zinc/00/60/15/572006015.db2.gz OSURCCCXMGCZME-LLVKDONJSA-N 2 2 182.311 1.456 10 0 ADAELP CC(C)C[C@@H]([NH3+])Cc1[nH]cc[nH+]1 34977382 572007632 /nfs/dbraw/zinc/00/76/32/572007632.db2.gz UTNVWSQDXZXGOY-MRVPVSSYSA-N 2 2 167.256 1.326 10 0 ADAELP C[NH2+]CC[N@H+](C)CCC(C)(C)C1CC1 405759814 757225165 /nfs/dbraw/zinc/22/51/65/757225165.db2.gz VLYPPXYPFGDTMN-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP C[NH2+]CC[N@@H+](C)CCC(C)(C)C1CC1 405759814 757225185 /nfs/dbraw/zinc/22/51/85/757225185.db2.gz VLYPPXYPFGDTMN-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP C[NH2+]Cc1c[nH+]c([C@@H]2CC2(C)C)[nH]1 234373865 572014974 /nfs/dbraw/zinc/01/49/74/572014974.db2.gz KVMRWXZORRNMLU-QMMMGPOBSA-N 2 2 179.267 1.643 10 0 ADAELP CC[N@H+](CC1CC1)[C@H](C[NH2+]C)C(C)C 68948613 572016490 /nfs/dbraw/zinc/01/64/90/572016490.db2.gz ZFFJVSOPAGELQC-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H](C[NH2+]C)C(C)C 68948613 572016493 /nfs/dbraw/zinc/01/64/93/572016493.db2.gz ZFFJVSOPAGELQC-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)C(C)C 35586366 572024525 /nfs/dbraw/zinc/02/45/25/572024525.db2.gz JTVYSOGFPIWQQA-SNVBAGLBSA-N 2 2 195.310 1.976 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(C)c(F)c1 82503625 572035081 /nfs/dbraw/zinc/03/50/81/572035081.db2.gz LUXUDOJSAWKKLZ-LLVKDONJSA-N 2 2 196.269 1.743 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+](C)CC1([NH3+])CCCC1 82651183 572071789 /nfs/dbraw/zinc/07/17/89/572071789.db2.gz KRPDSUDEGWVZJG-WDEREUQCSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+](C)CC1([NH3+])CCCC1 82651183 572071791 /nfs/dbraw/zinc/07/17/91/572071791.db2.gz KRPDSUDEGWVZJG-WDEREUQCSA-N 2 2 196.338 1.846 10 0 ADAELP CCCc1cc(N[C@@H](C)C[NH3+])nc[nH+]1 82576371 572058830 /nfs/dbraw/zinc/05/88/30/572058830.db2.gz YBTMNCQKVRHTMF-QMMMGPOBSA-N 2 2 194.282 1.188 10 0 ADAELP CCc1cc(NC[C@H]([NH3+])CC)nc[nH+]1 82579290 572062494 /nfs/dbraw/zinc/06/24/94/572062494.db2.gz VNAFPRSXYNKRFB-MRVPVSSYSA-N 2 2 194.282 1.188 10 0 ADAELP C[N@H+](Cc1ccncc1)C(C)(C)C[NH3+] 36775719 572067798 /nfs/dbraw/zinc/06/77/98/572067798.db2.gz ABYKKHZMNKVIAZ-UHFFFAOYSA-N 2 2 193.294 1.251 10 0 ADAELP C[N@@H+](Cc1ccncc1)C(C)(C)C[NH3+] 36775719 572067799 /nfs/dbraw/zinc/06/77/99/572067799.db2.gz ABYKKHZMNKVIAZ-UHFFFAOYSA-N 2 2 193.294 1.251 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+](C)CC[NH2+]C(C)(C)C 82648330 572069310 /nfs/dbraw/zinc/06/93/10/572069310.db2.gz QTMDYNICVKIPLS-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+](C)CC[NH2+]C(C)(C)C 82648330 572069312 /nfs/dbraw/zinc/06/93/12/572069312.db2.gz QTMDYNICVKIPLS-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)[N@@H+](C)C[C@@H]([NH3+])CC 36872100 572069333 /nfs/dbraw/zinc/06/93/33/572069333.db2.gz DYRDTHPILDBXNM-VIFPVBQESA-N 2 2 172.316 1.844 10 0 ADAELP CCC(CC)[N@H+](C)C[C@@H]([NH3+])CC 36872100 572069335 /nfs/dbraw/zinc/06/93/35/572069335.db2.gz DYRDTHPILDBXNM-VIFPVBQESA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]C 82646992 572069351 /nfs/dbraw/zinc/06/93/51/572069351.db2.gz XRESIPLLROCDST-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH2+]C 82646992 572069353 /nfs/dbraw/zinc/06/93/53/572069353.db2.gz XRESIPLLROCDST-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C 642878098 757281961 /nfs/dbraw/zinc/28/19/61/757281961.db2.gz ZSJLJTFEVAUNTO-IUCAKERBSA-N 2 2 156.273 1.077 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C 642878098 757281989 /nfs/dbraw/zinc/28/19/89/757281989.db2.gz ZSJLJTFEVAUNTO-IUCAKERBSA-N 2 2 156.273 1.077 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C 642878096 757284221 /nfs/dbraw/zinc/28/42/21/757284221.db2.gz ZSJLJTFEVAUNTO-BDAKNGLRSA-N 2 2 156.273 1.077 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C 642878096 757284242 /nfs/dbraw/zinc/28/42/42/757284242.db2.gz ZSJLJTFEVAUNTO-BDAKNGLRSA-N 2 2 156.273 1.077 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C 642878099 757286523 /nfs/dbraw/zinc/28/65/23/757286523.db2.gz ZSJLJTFEVAUNTO-RKDXNWHRSA-N 2 2 156.273 1.077 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C 642878099 757286540 /nfs/dbraw/zinc/28/65/40/757286540.db2.gz ZSJLJTFEVAUNTO-RKDXNWHRSA-N 2 2 156.273 1.077 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C 642878097 757289464 /nfs/dbraw/zinc/28/94/64/757289464.db2.gz ZSJLJTFEVAUNTO-DTWKUNHWSA-N 2 2 156.273 1.077 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C 642878097 757289477 /nfs/dbraw/zinc/28/94/77/757289477.db2.gz ZSJLJTFEVAUNTO-DTWKUNHWSA-N 2 2 156.273 1.077 10 0 ADAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[NH+](C)C)c1 42965709 572086164 /nfs/dbraw/zinc/08/61/64/572086164.db2.gz HEWYHYDEUIJZOF-ZYHUDNBSSA-N 2 2 192.306 1.945 10 0 ADAELP C[N@@H+](C1CC1)[C@@H](C[NH3+])c1cccs1 37080871 572086601 /nfs/dbraw/zinc/08/66/01/572086601.db2.gz HJJPRCFOEYYQKZ-VIFPVBQESA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+](C1CC1)[C@@H](C[NH3+])c1cccs1 37080871 572086603 /nfs/dbraw/zinc/08/66/03/572086603.db2.gz HJJPRCFOEYYQKZ-VIFPVBQESA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+](C1CC1)[C@@H](C[NH3+])c1ccccc1 37080861 572088174 /nfs/dbraw/zinc/08/81/74/572088174.db2.gz IBFLTDRDJDLRCF-LBPRGKRZSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+](C1CC1)[C@@H](C[NH3+])c1ccccc1 37080861 572088176 /nfs/dbraw/zinc/08/81/76/572088176.db2.gz IBFLTDRDJDLRCF-LBPRGKRZSA-N 2 2 190.290 1.781 10 0 ADAELP CCC[N@H+](CC)[C@H]1CCCC[C@@H]1[NH3+] 37094925 572088610 /nfs/dbraw/zinc/08/86/10/572088610.db2.gz RLKMUMSOVJJYDX-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CCCC[C@@H]1[NH3+] 37094925 572088612 /nfs/dbraw/zinc/08/86/12/572088612.db2.gz RLKMUMSOVJJYDX-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@H+](CC(N)=[NH2+])C(C)C 37099274 572095061 /nfs/dbraw/zinc/09/50/61/572095061.db2.gz QIEMIDYJOYEJFL-UHFFFAOYSA-N 2 2 157.261 1.043 10 0 ADAELP CCC[N@@H+](CC(N)=[NH2+])C(C)C 37099274 572095063 /nfs/dbraw/zinc/09/50/63/572095063.db2.gz QIEMIDYJOYEJFL-UHFFFAOYSA-N 2 2 157.261 1.043 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1C 83391269 572208630 /nfs/dbraw/zinc/20/86/30/572208630.db2.gz ZOFZUAABSMLRLF-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+](CC(C)C)C[C@@H]1CCC[NH2+]1 37111796 572097929 /nfs/dbraw/zinc/09/79/29/572097929.db2.gz XJDUGGBCXLGKKP-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](CC(C)C)C[C@@H]1CCC[NH2+]1 37111796 572097931 /nfs/dbraw/zinc/09/79/31/572097931.db2.gz XJDUGGBCXLGKKP-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 37172855 572103425 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/nfs/dbraw/zinc/70/65/30/572706530.db2.gz OUPQJMSHUFTEJT-JTQLQIEISA-N 2 2 191.278 1.318 10 0 ADAELP CC[N@H+](CCF)C(C)(C)C[NH3+] 87774501 572706567 /nfs/dbraw/zinc/70/65/67/572706567.db2.gz UHGVOZDQOBPSOG-UHFFFAOYSA-N 2 2 162.252 1.015 10 0 ADAELP CC[N@@H+](CCF)C(C)(C)C[NH3+] 87774501 572706569 /nfs/dbraw/zinc/70/65/69/572706569.db2.gz UHGVOZDQOBPSOG-UHFFFAOYSA-N 2 2 162.252 1.015 10 0 ADAELP C[NH2+][C@H](C)[C@H]1CCC[N@H+](CCF)C1 87774043 572706586 /nfs/dbraw/zinc/70/65/86/572706586.db2.gz JFHGRWSQMCDQGP-ZJUUUORDSA-N 2 2 188.290 1.276 10 0 ADAELP C[NH2+][C@H](C)[C@H]1CCC[N@@H+](CCF)C1 87774043 572706589 /nfs/dbraw/zinc/70/65/89/572706589.db2.gz JFHGRWSQMCDQGP-ZJUUUORDSA-N 2 2 188.290 1.276 10 0 ADAELP C[N@H+](CCF)C1(C[NH3+])CCCCC1 87774478 572706674 /nfs/dbraw/zinc/70/66/74/572706674.db2.gz AFJYJAJTUGYHCH-UHFFFAOYSA-N 2 2 188.290 1.549 10 0 ADAELP C[N@@H+](CCF)C1(C[NH3+])CCCCC1 87774478 572706676 /nfs/dbraw/zinc/70/66/76/572706676.db2.gz AFJYJAJTUGYHCH-UHFFFAOYSA-N 2 2 188.290 1.549 10 0 ADAELP C[C@H]1CC[N@@H+]([C@H]2CC[C@@H](C)C2)C[C@H]1[NH3+] 70644948 572718393 /nfs/dbraw/zinc/71/83/93/572718393.db2.gz WEVMCYOJFBORLO-NOOOWODRSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1CC[N@H+]([C@H]2CC[C@@H](C)C2)C[C@H]1[NH3+] 70644948 572718397 /nfs/dbraw/zinc/71/83/97/572718397.db2.gz WEVMCYOJFBORLO-NOOOWODRSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H](C[NH3+])SCCCn1cc[nH+]c1 85307785 572720800 /nfs/dbraw/zinc/72/08/00/572720800.db2.gz SOGYWDAWQCFAFK-VIFPVBQESA-N 2 2 199.323 1.354 10 0 ADAELP C[C@H]([NH3+])CSCCCn1cc[nH+]c1 85312970 572721613 /nfs/dbraw/zinc/72/16/13/572721613.db2.gz YMFLDTDEIZFKGX-VIFPVBQESA-N 2 2 199.323 1.354 10 0 ADAELP C[C@@H](C[NH3+])SCc1[nH+]ccn1C 85308148 572722320 /nfs/dbraw/zinc/72/23/20/572722320.db2.gz CPMUOBAKCIIRMW-ZETCQYMHSA-N 2 2 185.296 1.001 10 0 ADAELP CCn1cc[nH+]c1CSC[C@H](C)[NH3+] 85313857 572722410 /nfs/dbraw/zinc/72/24/10/572722410.db2.gz PFTAIIPEDWQILJ-QMMMGPOBSA-N 2 2 199.323 1.483 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2CC2(C)C)CCC[NH2+]1 235331316 572748259 /nfs/dbraw/zinc/74/82/59/572748259.db2.gz ZXXFBEPYENPBOO-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2CC2(C)C)CCC[NH2+]1 235331316 572748261 /nfs/dbraw/zinc/74/82/61/572748261.db2.gz ZXXFBEPYENPBOO-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP c1cc(C[NH2+]Cc2c[nH+]c[nH]2)c[nH]1 85580156 572767864 /nfs/dbraw/zinc/76/78/64/572767864.db2.gz OBUJHTZTJBFPKO-UHFFFAOYSA-N 2 2 176.223 1.028 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[C@@H]1C[NH2+]C 87954635 572767891 /nfs/dbraw/zinc/76/78/91/572767891.db2.gz PYARHMVFSMPUCZ-ZJUUUORDSA-N 2 2 193.294 1.616 10 0 ADAELP CCC(C)(C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49661568 572793892 /nfs/dbraw/zinc/79/38/92/572793892.db2.gz CXBUPPXUTQUVPP-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@H+]1CC[NH2+][C@@H](C)CC1 49661568 572793895 /nfs/dbraw/zinc/79/38/95/572793895.db2.gz CXBUPPXUTQUVPP-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C(C)(C)C)C1 49660773 572793932 /nfs/dbraw/zinc/79/39/32/572793932.db2.gz QZDWZRXIDIIIFN-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C(C)(C)C)C1 49660773 572793936 /nfs/dbraw/zinc/79/39/36/572793936.db2.gz QZDWZRXIDIIIFN-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccco2)C1 49661357 572794021 /nfs/dbraw/zinc/79/40/21/572794021.db2.gz LZIUPQQZEVNUPL-SNVBAGLBSA-N 2 2 194.278 1.321 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccco2)C1 49661357 572794023 /nfs/dbraw/zinc/79/40/23/572794023.db2.gz LZIUPQQZEVNUPL-SNVBAGLBSA-N 2 2 194.278 1.321 10 0 ADAELP C[N@@H+]1CCC(C)(C)CC(=O)[C@@H]1CC[NH3+] 75124725 572828726 /nfs/dbraw/zinc/82/87/26/572828726.db2.gz ZOHQATGWLGKYMP-VIFPVBQESA-N 2 2 198.310 1.025 10 0 ADAELP C[N@H+]1CCC(C)(C)CC(=O)[C@@H]1CC[NH3+] 75124725 572828729 /nfs/dbraw/zinc/82/87/29/572828729.db2.gz ZOHQATGWLGKYMP-VIFPVBQESA-N 2 2 198.310 1.025 10 0 ADAELP C[C@@H](CCCC[NH3+])[N@H+](C)CC(F)F 308141533 572830398 /nfs/dbraw/zinc/83/03/98/572830398.db2.gz UEFCBYUVOZPFLC-QMMMGPOBSA-N 2 2 194.269 1.701 10 0 ADAELP C[C@@H](CCCC[NH3+])[N@@H+](C)CC(F)F 308141533 572830401 /nfs/dbraw/zinc/83/04/01/572830401.db2.gz UEFCBYUVOZPFLC-QMMMGPOBSA-N 2 2 194.269 1.701 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1[NH2+]CC[C@H]1C 299898511 572854649 /nfs/dbraw/zinc/85/46/49/572854649.db2.gz ZOXBVXGMDQWTQY-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP Cn1c[nH+]c(CC[C@@H]([NH3+])C2CC2)c1 308164098 572895476 /nfs/dbraw/zinc/89/54/76/572895476.db2.gz YJHJMDMUFAOHRO-SNVBAGLBSA-N 2 2 179.267 1.090 10 0 ADAELP C[C@H]1CC[C@H]1[NH2+]CCc1[nH]cc[nH+]1 308163557 572895512 /nfs/dbraw/zinc/89/55/12/572895512.db2.gz YBPVXBQXPIMSMB-DTWKUNHWSA-N 2 2 179.267 1.340 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+]CCCF 88024888 572930957 /nfs/dbraw/zinc/93/09/57/572930957.db2.gz YFUMPSJCMKPHOH-UHFFFAOYSA-N 2 2 176.279 1.276 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+]CCCF 88024888 572930959 /nfs/dbraw/zinc/93/09/59/572930959.db2.gz YFUMPSJCMKPHOH-UHFFFAOYSA-N 2 2 176.279 1.276 10 0 ADAELP CC[NH2+][C@@H](C[NH+](C)C)[C@@H](C)CC 86392908 572930962 /nfs/dbraw/zinc/93/09/62/572930962.db2.gz NEMMSZMLWMCPSJ-UWVGGRQHSA-N 2 2 172.316 1.572 10 0 ADAELP C[C@@H](C[NH2+]C1CC1)[C@H](C)n1cc[nH+]c1 86312954 572914008 /nfs/dbraw/zinc/91/40/08/572914008.db2.gz FJQQBCYDBNFSTB-UWVGGRQHSA-N 2 2 193.294 1.832 10 0 ADAELP C[NH2+]C[C@H](C)[C@H](C)n1cc[nH+]c1 86312942 572914040 /nfs/dbraw/zinc/91/40/40/572914040.db2.gz FIUTYQCQJPTYMR-IUCAKERBSA-N 2 2 167.256 1.300 10 0 ADAELP C[N@H+]1Cc2cc(F)ccc2[C@@H](C[NH3+])C1 57489369 572914066 /nfs/dbraw/zinc/91/40/66/572914066.db2.gz OJQTYRKYTLRFPA-VIFPVBQESA-N 2 2 194.253 1.313 10 0 ADAELP C[N@@H+]1Cc2cc(F)ccc2[C@@H](C[NH3+])C1 57489369 572914069 /nfs/dbraw/zinc/91/40/69/572914069.db2.gz OJQTYRKYTLRFPA-VIFPVBQESA-N 2 2 194.253 1.313 10 0 ADAELP Cc1cnc(C[NH2+][C@H](C)[C@H](C)[NH3+])s1 308202252 572930923 /nfs/dbraw/zinc/93/09/23/572930923.db2.gz QNWVEFJRPCCCGU-JGVFFNPUSA-N 2 2 199.323 1.277 10 0 ADAELP CC[NH2+][C@@H]1CC[N@H+](CCCCF)C1 308196286 572937190 /nfs/dbraw/zinc/93/71/90/572937190.db2.gz MUPAFQWWNSHUSG-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CC[NH2+][C@@H]1CC[N@@H+](CCCCF)C1 308196286 572937192 /nfs/dbraw/zinc/93/71/92/572937192.db2.gz MUPAFQWWNSHUSG-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CCC(C)(C)[C@H]([NH3+])Cn1cc[nH+]c1 308211908 572943728 /nfs/dbraw/zinc/94/37/28/572943728.db2.gz WZZALMBCLGRXIP-SECBINFHSA-N 2 2 181.283 1.647 10 0 ADAELP C[N@H+](Cc1ccoc1)C1(C[NH3+])CCC1 86475026 572943783 /nfs/dbraw/zinc/94/37/83/572943783.db2.gz IONIQIHWKYEMMI-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP C[N@@H+](Cc1ccoc1)C1(C[NH3+])CCC1 86475026 572943786 /nfs/dbraw/zinc/94/37/86/572943786.db2.gz IONIQIHWKYEMMI-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP C[N@H+](Cc1ccco1)C1(C[NH3+])CCC1 86474966 572943803 /nfs/dbraw/zinc/94/38/03/572943803.db2.gz RNLLCAGOIQLUGV-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP C[N@@H+](Cc1ccco1)C1(C[NH3+])CCC1 86474966 572943806 /nfs/dbraw/zinc/94/38/06/572943806.db2.gz RNLLCAGOIQLUGV-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP C[NH2+]C[C@@H]1CCCc2[nH]c(C)[nH+]c21 76089321 572943829 /nfs/dbraw/zinc/94/38/29/572943829.db2.gz WPKIOWXZASOXDV-QMMMGPOBSA-N 2 2 179.267 1.357 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@H+](C[C@@](C)([NH3+])C2CC2)C1 222605506 572943844 /nfs/dbraw/zinc/94/38/44/572943844.db2.gz BIVSTNUQBTYLSD-CKYFFXLPSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@](C)([NH3+])C2CC2)C1 222605506 572943846 /nfs/dbraw/zinc/94/38/46/572943846.db2.gz BIVSTNUQBTYLSD-CKYFFXLPSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CCC1 308207944 572946281 /nfs/dbraw/zinc/94/62/81/572946281.db2.gz JHICCYHGGQAVKN-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP [NH3+]C1(C[NH2+]Cc2ccco2)CCC1 88051837 572946289 /nfs/dbraw/zinc/94/62/89/572946289.db2.gz YZNBQVMXWWJNAL-UHFFFAOYSA-N 2 2 180.251 1.251 10 0 ADAELP CC[C@@H](C)C[N@H+](C)CC1([NH3+])CCC1 88051736 572946300 /nfs/dbraw/zinc/94/63/00/572946300.db2.gz BQOCOVSYFRNRDT-SNVBAGLBSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@H](C)C[N@@H+](C)CC1([NH3+])CCC1 88051736 572946302 /nfs/dbraw/zinc/94/63/02/572946302.db2.gz BQOCOVSYFRNRDT-SNVBAGLBSA-N 2 2 184.327 1.846 10 0 ADAELP CC(C)CC[NH2+]C[C@@H](C)[NH+]1CCC1 308213015 572948718 /nfs/dbraw/zinc/94/87/18/572948718.db2.gz MDJREDTVLMNJPH-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1CCn1cc[nH+]c1 86532700 572950369 /nfs/dbraw/zinc/95/03/69/572950369.db2.gz CHCQCNJXIUXQJJ-WDEREUQCSA-N 2 2 193.294 1.661 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1CCn1cc[nH+]c1 86532702 572950384 /nfs/dbraw/zinc/95/03/84/572950384.db2.gz CHCQCNJXIUXQJJ-QWRGUYRKSA-N 2 2 193.294 1.661 10 0 ADAELP CCn1cc[nH+]c1C[C@@](C)([NH3+])CC 86750609 572975679 /nfs/dbraw/zinc/97/56/79/572975679.db2.gz YFKRUMYUSXQCRO-JTQLQIEISA-N 2 2 181.283 1.573 10 0 ADAELP CCCn1cc[nH+]c1C[C@H](CC)[NH2+]C 86751873 572979234 /nfs/dbraw/zinc/97/92/34/572979234.db2.gz CDMQCNHDHFMIJC-JTQLQIEISA-N 2 2 195.310 1.834 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)[C@@H]1C[C@@H]1C 86752789 572979299 /nfs/dbraw/zinc/97/92/99/572979299.db2.gz BUBHFAQTMLDYMS-IVZWLZJFSA-N 2 2 193.294 1.207 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH3+])[C@@H]1C[C@@H]1C 86752766 572979335 /nfs/dbraw/zinc/97/93/35/572979335.db2.gz RCRBXGZPUCKDIX-AEJSXWLSSA-N 2 2 193.294 1.429 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)[C@@H]1C[C@H]1C 86752787 572979341 /nfs/dbraw/zinc/97/93/41/572979341.db2.gz BUBHFAQTMLDYMS-OPRDCNLKSA-N 2 2 193.294 1.207 10 0 ADAELP c1coc(CC[NH2+]CC[NH2+]C2CC2)c1 42594406 573006057 /nfs/dbraw/zinc/00/60/57/573006057.db2.gz HEHWQXFAYBIKEQ-UHFFFAOYSA-N 2 2 194.278 1.164 10 0 ADAELP CC[C@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+](C)C 308221522 573011264 /nfs/dbraw/zinc/01/12/64/573011264.db2.gz LKURJTGRNAPDLU-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] 308475559 573011412 /nfs/dbraw/zinc/01/14/12/573011412.db2.gz DMQKXKKLLISFFK-ZJUUUORDSA-N 2 2 193.294 1.215 10 0 ADAELP CC1=C2C[NH2+]C(C)(C)CC2=[NH+]CC1 238252964 573016210 /nfs/dbraw/zinc/01/62/10/573016210.db2.gz LRIROYDHVZOEOS-UHFFFAOYSA-N 2 2 178.279 1.920 10 0 ADAELP C[NH2+]C(C)(C)[C@@H](C(C)C)[NH+](C)C 259311828 573017501 /nfs/dbraw/zinc/01/75/01/573017501.db2.gz DIJDDCBTZSUPCZ-SECBINFHSA-N 2 2 172.316 1.571 10 0 ADAELP CC(C)C[C@@H](C)[N@H+](C)CC(N)=[NH2+] 42603607 573019131 /nfs/dbraw/zinc/01/91/31/573019131.db2.gz UNQYHLZXJRNOAU-MRVPVSSYSA-N 2 2 171.288 1.289 10 0 ADAELP CC(C)C[C@@H](C)[N@@H+](C)CC(N)=[NH2+] 42603607 573019136 /nfs/dbraw/zinc/01/91/36/573019136.db2.gz UNQYHLZXJRNOAU-MRVPVSSYSA-N 2 2 171.288 1.289 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[NH+]1CCCCCC1 85439175 573023134 /nfs/dbraw/zinc/02/31/34/573023134.db2.gz KUXFPHBRCJSVKM-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP [NH3+][C@@H](c1ccccc1)C12CC(C[NH2+]1)C2 113701518 573023222 /nfs/dbraw/zinc/02/32/22/573023222.db2.gz JSNVMEUNGCRFKJ-ZYXZCXLHSA-N 2 2 188.274 1.438 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[NH+]1CCCC1 85439115 573023261 /nfs/dbraw/zinc/02/32/61/573023261.db2.gz CJQPLHUWYCBJCS-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H]1C[NH2+]CC[C@H]1C 85439361 573023314 /nfs/dbraw/zinc/02/33/14/573023314.db2.gz UMCPASVSPZNCNT-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H]1C[NH2+]CC[C@H]1C 85439361 573023317 /nfs/dbraw/zinc/02/33/17/573023317.db2.gz UMCPASVSPZNCNT-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@@H+]1CCCC1(C)C 85439910 573023367 /nfs/dbraw/zinc/02/33/67/573023367.db2.gz IYTMRSAPQWEZLO-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@H+]1CCCC1(C)C 85439910 573023376 /nfs/dbraw/zinc/02/33/76/573023376.db2.gz IYTMRSAPQWEZLO-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+]CCc1ccccc1-n1cc[nH+]c1 82391707 573023383 /nfs/dbraw/zinc/02/33/83/573023383.db2.gz TXMIPALCRFREKP-UHFFFAOYSA-N 2 2 187.246 1.374 10 0 ADAELP Cc1ccc([C@H]2CC[C@@H]2C[NH3+])c[nH+]1 87942779 573023407 /nfs/dbraw/zinc/02/34/07/573023407.db2.gz JHCUWKNPBTWEFK-KOLCDFICSA-N 2 2 176.263 1.842 10 0 ADAELP Cc1ccc([C@@H]2CC[C@H]2C[NH3+])c[nH+]1 87942781 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573211527 /nfs/dbraw/zinc/21/15/27/573211527.db2.gz MWELKYLXQOQHSY-LBPRGKRZSA-N 2 2 192.306 1.913 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@@H]([NH3+])[C@H]1[NH+]1CCCC1 82829500 573214372 /nfs/dbraw/zinc/21/43/72/573214372.db2.gz SFLPUSYEGFDWGK-KXNHARMFSA-N 2 2 196.338 1.844 10 0 ADAELP C1CC[C@@H]2[C@H](C1)[NH2+]C[C@@H]1CCCC[N@H+]12 257764499 573218169 /nfs/dbraw/zinc/21/81/69/573218169.db2.gz IHYWZXTYGMUUJA-SDDRHHMPSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC[C@@H]2[C@H](C1)[NH2+]C[C@@H]1CCCC[N@@H+]12 257764499 573218173 /nfs/dbraw/zinc/21/81/73/573218173.db2.gz IHYWZXTYGMUUJA-SDDRHHMPSA-N 2 2 194.322 1.755 10 0 ADAELP CC[C@H]([NH3+])c1c(C)cc(C)[nH+]c1N 238308243 573218250 /nfs/dbraw/zinc/21/82/50/573218250.db2.gz XDMGVUKITGRRDD-QMMMGPOBSA-N 2 2 179.267 1.690 10 0 ADAELP CC1(C)C[NH2+][C@](C)([C@@H]2CCCC[NH2+]2)O1 258488067 573218515 /nfs/dbraw/zinc/21/85/15/573218515.db2.gz LOODAYZVZLHXJK-ONGXEEELSA-N 2 2 198.310 1.243 10 0 ADAELP C[C@@H]([NH2+]C1CC1)[C@@H](C)c1cn(C)c[nH+]1 308517341 573218533 /nfs/dbraw/zinc/21/85/33/573218533.db2.gz FUWXKRDCPBWGNN-RKDXNWHRSA-N 2 2 193.294 1.664 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(C)cc1C 259379221 573219146 /nfs/dbraw/zinc/21/91/46/573219146.db2.gz NCJQTLNFGCDMEX-LLVKDONJSA-N 2 2 178.279 1.523 10 0 ADAELP Cc1cc(N(C)C)[nH+]c(C)c1CC[NH3+] 238308289 573219223 /nfs/dbraw/zinc/21/92/23/573219223.db2.gz SWCVXSYXQHLVCD-UHFFFAOYSA-N 2 2 193.294 1.266 10 0 ADAELP CC(C)[NH2+]C[C@H](C)Cc1cn(C)c[nH+]1 308519031 573220550 /nfs/dbraw/zinc/22/05/50/573220550.db2.gz GTSGSNSUUJPZMO-SNVBAGLBSA-N 2 2 195.310 1.597 10 0 ADAELP CC(C)[NH2+]C[C@@H](C)Cc1cn(C)c[nH+]1 308519030 573220662 /nfs/dbraw/zinc/22/06/62/573220662.db2.gz GTSGSNSUUJPZMO-JTQLQIEISA-N 2 2 195.310 1.597 10 0 ADAELP C[NH2+][C@H](C)Cc1[nH]c(CF)c(C)[nH+]1 214420750 573220823 /nfs/dbraw/zinc/22/08/23/573220823.db2.gz FMECLHPCHXOILG-ZCFIWIBFSA-N 2 2 185.246 1.338 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)C[C@@H]1C 86010054 573223931 /nfs/dbraw/zinc/22/39/31/573223931.db2.gz GGKXRVNVBOBMCS-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)C[C@@H]1C 86010054 573223936 /nfs/dbraw/zinc/22/39/36/573223936.db2.gz GGKXRVNVBOBMCS-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[NH+](C[C@@H]2CCC[NH2+]2)C[C@@H]1C 86010056 573223947 /nfs/dbraw/zinc/22/39/47/573223947.db2.gz GGKXRVNVBOBMCS-DCAQKATOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCCC2)C[C@@H]1C 86015515 573223969 /nfs/dbraw/zinc/22/39/69/573223969.db2.gz BDKZTEHCHAPNRG-PHIMTYICSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[N@H+](CC2([NH3+])CCCC2)C[C@@H]1C 86015515 573223972 /nfs/dbraw/zinc/22/39/72/573223972.db2.gz BDKZTEHCHAPNRG-PHIMTYICSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)C[C@@H]1C 86012933 573224031 /nfs/dbraw/zinc/22/40/31/573224031.db2.gz RVLGYKOHIHPJQR-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)C[C@@H]1C 86012933 573224034 /nfs/dbraw/zinc/22/40/34/573224034.db2.gz RVLGYKOHIHPJQR-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015313 573224089 /nfs/dbraw/zinc/22/40/89/573224089.db2.gz SXJBJZLSICVHDK-AXFHLTTASA-N 2 2 184.327 1.558 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015313 573224093 /nfs/dbraw/zinc/22/40/93/573224093.db2.gz SXJBJZLSICVHDK-AXFHLTTASA-N 2 2 184.327 1.558 10 0 ADAELP C[C@H]1C[NH+](C[C@@H]2CCCC[NH2+]2)C[C@@H]1C 86010050 573224147 /nfs/dbraw/zinc/22/41/47/573224147.db2.gz JFUMRMHMQZKGBG-SRVKXCTJSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C 86010245 573224666 /nfs/dbraw/zinc/22/46/66/573224666.db2.gz JAJPOHYKQFUMCS-WISYIIOYSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C 86010245 573224668 /nfs/dbraw/zinc/22/46/68/573224668.db2.gz JAJPOHYKQFUMCS-WISYIIOYSA-N 2 2 196.338 1.572 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 86009249 573224686 /nfs/dbraw/zinc/22/46/86/573224686.db2.gz NAWQLDAXCCIZJL-MMWGEVLESA-N 2 2 184.327 1.571 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009248 573226804 /nfs/dbraw/zinc/22/68/04/573226804.db2.gz NAWQLDAXCCIZJL-YTWAJWBKSA-N 2 2 184.327 1.571 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009248 573226812 /nfs/dbraw/zinc/22/68/12/573226812.db2.gz NAWQLDAXCCIZJL-YTWAJWBKSA-N 2 2 184.327 1.571 10 0 ADAELP C/C=C/C[NH2+]CCCn1cc[nH+]c1 308311052 573227040 /nfs/dbraw/zinc/22/70/40/573227040.db2.gz RKVJBVZGYRZRJJ-NSCUHMNNSA-N 2 2 179.267 1.439 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH+]1C[C@@H](C)[C@H](C)C1 86015317 573227646 /nfs/dbraw/zinc/22/76/46/573227646.db2.gz SXJBJZLSICVHDK-MXWKQRLJSA-N 2 2 184.327 1.558 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 308312031 573227680 /nfs/dbraw/zinc/22/76/80/573227680.db2.gz RZDMCHSIVROTMV-DCAQKATOSA-N 2 2 184.327 1.572 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 308312031 573227687 /nfs/dbraw/zinc/22/76/87/573227687.db2.gz RZDMCHSIVROTMV-DCAQKATOSA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1CCC[C@H]([N@H+](C)CC(N)=[NH2+])C1 104762949 573227826 /nfs/dbraw/zinc/22/78/26/573227826.db2.gz MMJFLCVCKSPLGN-BDAKNGLRSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H]1CCC[C@H]([N@@H+](C)CC(N)=[NH2+])C1 104762949 573227832 /nfs/dbraw/zinc/22/78/32/573227832.db2.gz MMJFLCVCKSPLGN-BDAKNGLRSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H]1C[NH+](CC2([NH3+])CCCC2)C[C@H]1C 86015521 573227913 /nfs/dbraw/zinc/22/79/13/573227913.db2.gz BDKZTEHCHAPNRG-GHMZBOCLSA-N 2 2 196.338 1.846 10 0 ADAELP FCC[NH2+]Cc1ccc2[nH+]ccn2c1 308520402 573229300 /nfs/dbraw/zinc/22/93/00/573229300.db2.gz RLRSDIXFEGRLLF-UHFFFAOYSA-N 2 2 193.225 1.393 10 0 ADAELP C[NH2+]C(C)(C)C[NH+]1C[C@H](C)[C@@H](C)C1 86015217 573229611 /nfs/dbraw/zinc/22/96/11/573229611.db2.gz RWUVRZVEOUGTJA-UWVGGRQHSA-N 2 2 184.327 1.572 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009537 573229677 /nfs/dbraw/zinc/22/96/77/573229677.db2.gz NTHGMVYVABONIO-YTWAJWBKSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009537 573229683 /nfs/dbraw/zinc/22/96/83/573229683.db2.gz NTHGMVYVABONIO-YTWAJWBKSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C 86009345 573229725 /nfs/dbraw/zinc/22/97/25/573229725.db2.gz WMOVCJVZDXPASG-ZRUFSTJUSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C 86009345 573229730 /nfs/dbraw/zinc/22/97/30/573229730.db2.gz WMOVCJVZDXPASG-ZRUFSTJUSA-N 2 2 182.311 1.454 10 0 ADAELP Cc1c[nH+]cc([C@@H](C)CC[NH3+])c1 82851149 573234223 /nfs/dbraw/zinc/23/42/23/573234223.db2.gz MMFTZRHZJQPRGV-VIFPVBQESA-N 2 2 164.252 1.842 10 0 ADAELP CCC[N@@H+]1CCCC[NH2+][C@@H](C)C1 259386779 573234415 /nfs/dbraw/zinc/23/44/15/573234415.db2.gz LNEMBAKUIBFJIE-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@H+]1CCCC[NH2+][C@@H](C)C1 259386779 573234419 /nfs/dbraw/zinc/23/44/19/573234419.db2.gz LNEMBAKUIBFJIE-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@@H+]1CCCC[NH2+][C@H](C)C1 259386783 573234592 /nfs/dbraw/zinc/23/45/92/573234592.db2.gz LNEMBAKUIBFJIE-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@H+]1CCCC[NH2+][C@H](C)C1 259386783 573234596 /nfs/dbraw/zinc/23/45/96/573234596.db2.gz LNEMBAKUIBFJIE-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP Cc1cc[nH+]cc1[C@H](C)CC[NH3+] 82851147 573234705 /nfs/dbraw/zinc/23/47/05/573234705.db2.gz MRHNYWMWDSXLOE-MRVPVSSYSA-N 2 2 164.252 1.842 10 0 ADAELP CSc1ccc([C@@](C)([NH3+])C[NH3+])cc1 259042137 573235051 /nfs/dbraw/zinc/23/50/51/573235051.db2.gz KUZHOVJHWPEZDQ-JTQLQIEISA-N 2 2 196.319 1.541 10 0 ADAELP Cc1ccc([C@H](C)CC[NH3+])c[nH+]1 82851153 573235183 /nfs/dbraw/zinc/23/51/83/573235183.db2.gz BSYNDXOESMGKFZ-MRVPVSSYSA-N 2 2 164.252 1.842 10 0 ADAELP c1[nH]c(C[NH2+]C2C3(CC3)C23CC3)c[nH+]1 715263881 573235691 /nfs/dbraw/zinc/23/56/91/573235691.db2.gz YUKJFAHCBPICMP-UHFFFAOYSA-N 2 2 189.262 1.442 10 0 ADAELP FCCCC[NH2+]CCCn1cc[nH+]c1 308528104 573238887 /nfs/dbraw/zinc/23/88/87/573238887.db2.gz PWIJLKNYVQFZPD-UHFFFAOYSA-N 2 2 199.273 1.613 10 0 ADAELP CC[C@H]1C[NH2+][C@@H](CC)[NH2+][C@@H]1CC 238314506 573239140 /nfs/dbraw/zinc/23/91/40/573239140.db2.gz FXLFFCJMOHLMKV-IVZWLZJFSA-N 2 2 170.300 1.720 10 0 ADAELP CC(=O)CCCC[N@@H+]1CCC[NH2+]CC1 50153777 573242684 /nfs/dbraw/zinc/24/26/84/573242684.db2.gz VYUPORGJXAMTEI-UHFFFAOYSA-N 2 2 198.310 1.041 10 0 ADAELP CC(=O)CCCC[N@H+]1CCC[NH2+]CC1 50153777 573242691 /nfs/dbraw/zinc/24/26/91/573242691.db2.gz VYUPORGJXAMTEI-UHFFFAOYSA-N 2 2 198.310 1.041 10 0 ADAELP C[NH2+][C@H](CCc1cn(C)c[nH+]1)C1CC1 308521202 573243079 /nfs/dbraw/zinc/24/30/79/573243079.db2.gz HTSSCJHEUAFEBF-LLVKDONJSA-N 2 2 193.294 1.351 10 0 ADAELP CC[N@@H+](C1CC[NH2+]CC1)[C@@H](C)C(C)=O 50157728 573243083 /nfs/dbraw/zinc/24/30/83/573243083.db2.gz RIGLLLJPLXYRKA-VIFPVBQESA-N 2 2 198.310 1.038 10 0 ADAELP CC[N@H+](C1CC[NH2+]CC1)[C@@H](C)C(C)=O 50157728 573243088 /nfs/dbraw/zinc/24/30/88/573243088.db2.gz RIGLLLJPLXYRKA-VIFPVBQESA-N 2 2 198.310 1.038 10 0 ADAELP C[NH2+][C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] 259390414 573243357 /nfs/dbraw/zinc/24/33/57/573243357.db2.gz LKMUBXBXFOLMRI-MWLCHTKSSA-N 2 2 178.279 1.603 10 0 ADAELP CC(=O)CCCC[N@@H+]1CCC[C@H]([NH3+])C1 50149771 573243422 /nfs/dbraw/zinc/24/34/22/573243422.db2.gz ZWBNJTDDYVNCSQ-NSHDSACASA-N 2 2 198.310 1.169 10 0 ADAELP CC(=O)CCCC[N@H+]1CCC[C@H]([NH3+])C1 50149771 573243428 /nfs/dbraw/zinc/24/34/28/573243428.db2.gz ZWBNJTDDYVNCSQ-NSHDSACASA-N 2 2 198.310 1.169 10 0 ADAELP C[NH2+]CCc1[nH]cc(C2CCC2)[nH+]1 259046405 573243589 /nfs/dbraw/zinc/24/35/89/573243589.db2.gz IEEVOEGCWCPNRD-UHFFFAOYSA-N 2 2 179.267 1.439 10 0 ADAELP C[NH2+][C@H](c1cccc(C)c1)[C@@H](C)[NH3+] 259390412 573243594 /nfs/dbraw/zinc/24/35/94/573243594.db2.gz LKMUBXBXFOLMRI-KOLCDFICSA-N 2 2 178.279 1.603 10 0 ADAELP [NH3+][C@@H](C[NH2+]CCCF)c1ccccc1 308522234 573243791 /nfs/dbraw/zinc/24/37/91/573243791.db2.gz IFLJSXQVUIOOLL-NSHDSACASA-N 2 2 196.269 1.636 10 0 ADAELP CC(=O)CCCC[N@@H+]1CCC[C@@H]([NH3+])C1 50149774 573245617 /nfs/dbraw/zinc/24/56/17/573245617.db2.gz ZWBNJTDDYVNCSQ-LLVKDONJSA-N 2 2 198.310 1.169 10 0 ADAELP CC(=O)CCCC[N@H+]1CCC[C@@H]([NH3+])C1 50149774 573245622 /nfs/dbraw/zinc/24/56/22/573245622.db2.gz ZWBNJTDDYVNCSQ-LLVKDONJSA-N 2 2 198.310 1.169 10 0 ADAELP C[NH2+][C@@H](C=C(C)C)C[NH+](C)C 86059181 573245656 /nfs/dbraw/zinc/24/56/56/573245656.db2.gz WPETUTZAFCKYGB-VIFPVBQESA-N 2 2 156.273 1.102 10 0 ADAELP Cc1cc(C)c([C@@](C)([NH3+])C[NH3+])c(C)c1 259051545 573246776 /nfs/dbraw/zinc/24/67/76/573246776.db2.gz LPMBSVBDUIXUBJ-LBPRGKRZSA-N 2 2 192.306 1.744 10 0 ADAELP C1=C(CC[NH2+]Cc2c[nH+]c[nH]2)CCC1 125982961 573249584 /nfs/dbraw/zinc/24/95/84/573249584.db2.gz MZOLDKUVTPEMDK-UHFFFAOYSA-N 2 2 191.278 2.000 10 0 ADAELP Cc1[nH+]c(C2(C[NH3+])CCC2)cn1C 82871928 573251526 /nfs/dbraw/zinc/25/15/26/573251526.db2.gz BYKWDUJMSFTRBI-UHFFFAOYSA-N 2 2 179.267 1.109 10 0 ADAELP CC(C)Cc1c[nH+]c(CC[C@@H](C)[NH3+])[nH]1 259055140 573255413 /nfs/dbraw/zinc/25/54/13/573255413.db2.gz JEACDXJYHGUTDS-SECBINFHSA-N 2 2 195.310 1.888 10 0 ADAELP CC[C@H]1[NH2+]CC[C@H]2CCCC[N@H+]12 238317705 573255501 /nfs/dbraw/zinc/25/55/01/573255501.db2.gz GBUZYSJAMHHKGI-ZJUUUORDSA-N 2 2 168.284 1.570 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(C[C@@H](C)OC)[nH]1 129214125 573257289 /nfs/dbraw/zinc/25/72/89/573257289.db2.gz OSGLPTOHDCWEMB-MRVPVSSYSA-N 2 2 197.282 1.097 10 0 ADAELP C[NH2+][C@]1(C[NH3+])CCc2ccccc21 238319166 573257375 /nfs/dbraw/zinc/25/73/75/573257375.db2.gz FMBJQQCAABRZSK-NSHDSACASA-N 2 2 176.263 1.006 10 0 ADAELP Cc1cccc([C@H]([NH3+])C[NH2+]C2CC2)c1 257980652 573257931 /nfs/dbraw/zinc/25/79/31/573257931.db2.gz COJQAKIHIJOFNI-GFCCVEGCSA-N 2 2 190.290 1.747 10 0 ADAELP C[C@H](SCC[NH3+])c1c[nH+]c[nH]1 142349503 573260987 /nfs/dbraw/zinc/26/09/87/573260987.db2.gz AKGUOPHIDRYMCY-LURJTMIESA-N 2 2 171.269 1.163 10 0 ADAELP C[C@H](SCC[NH3+])c1c[nH]c[nH+]1 142349503 573260993 /nfs/dbraw/zinc/26/09/93/573260993.db2.gz AKGUOPHIDRYMCY-LURJTMIESA-N 2 2 171.269 1.163 10 0 ADAELP C[NH2+]CCCc1[nH]c(CC(C)C)c[nH+]1 259053004 573261144 /nfs/dbraw/zinc/26/11/44/573261144.db2.gz IXBLCTRZVLEZKW-UHFFFAOYSA-N 2 2 195.310 1.760 10 0 ADAELP C[NH2+][C@H](c1cccnc1)C(C)(C)[NH2+]C 259394446 573261336 /nfs/dbraw/zinc/26/13/36/573261336.db2.gz MKQCTZPFURVNGK-SNVBAGLBSA-N 2 2 193.294 1.340 10 0 ADAELP CC[C@H](C[N@H+](C)C1CC1)[NH2+]C 50179178 573270334 /nfs/dbraw/zinc/27/03/34/573270334.db2.gz LRYZEGSFUNVDFG-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@H](C[N@@H+](C)C1CC1)[NH2+]C 50179178 573270338 /nfs/dbraw/zinc/27/03/38/573270338.db2.gz LRYZEGSFUNVDFG-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@@H+]1CCSC 129336111 573270439 /nfs/dbraw/zinc/27/04/39/573270439.db2.gz DNCUNQBECODBSY-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@H+]1CCSC 129336111 573270443 /nfs/dbraw/zinc/27/04/43/573270443.db2.gz DNCUNQBECODBSY-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[C@H](C[NH+]1CCCC1)[NH2+]CC1(C)CC1 308535445 573270787 /nfs/dbraw/zinc/27/07/87/573270787.db2.gz MEDYYLHACVPYBX-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](C[N@H+](C)[C@@H](C)C(C)C)[NH2+]C 50179315 573271036 /nfs/dbraw/zinc/27/10/36/573271036.db2.gz HLWAWMORMYTGOC-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H](C[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C 50179315 573271043 /nfs/dbraw/zinc/27/10/43/573271043.db2.gz HLWAWMORMYTGOC-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP C[C@H]1CCCC[C@@H]1C[NH2+]CC[NH+](C)C 42862750 573273140 /nfs/dbraw/zinc/27/31/40/573273140.db2.gz MEJRLKKJUZJFCJ-NWDGAFQWSA-N 2 2 198.354 1.964 10 0 ADAELP CC[N@H+](C)Cc1cc(N)cc[nH+]1 86134449 573273150 /nfs/dbraw/zinc/27/31/50/573273150.db2.gz PANVWKCVVJAEBU-UHFFFAOYSA-N 2 2 165.240 1.116 10 0 ADAELP CC[N@@H+](C)Cc1cc(N)cc[nH+]1 86134449 573273156 /nfs/dbraw/zinc/27/31/56/573273156.db2.gz PANVWKCVVJAEBU-UHFFFAOYSA-N 2 2 165.240 1.116 10 0 ADAELP CC(C)[C@@]1(C[NH+](C)C)CCC[NH2+]1 258275998 573275474 /nfs/dbraw/zinc/27/54/74/573275474.db2.gz SFUQHGDGVNIGOG-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP C[NH+](C)[C@H](c1ccncc1)C1([NH3+])CC1 259063088 573275495 /nfs/dbraw/zinc/27/54/95/573275495.db2.gz CVQAUFOSBQZVMZ-SNVBAGLBSA-N 2 2 191.278 1.176 10 0 ADAELP C[N@@H+]1CC[C@H](C2CCCC2)[C@@H]([NH3+])C1 238330254 573275901 /nfs/dbraw/zinc/27/59/01/573275901.db2.gz ZUKQRYLTSVURLA-MNOVXSKESA-N 2 2 182.311 1.456 10 0 ADAELP C[N@H+]1CC[C@H](C2CCCC2)[C@@H]([NH3+])C1 238330254 573275907 /nfs/dbraw/zinc/27/59/07/573275907.db2.gz ZUKQRYLTSVURLA-MNOVXSKESA-N 2 2 182.311 1.456 10 0 ADAELP C[C@H]1CCCC[C@H]1C[NH2+]CC[NH+](C)C 42862756 573276175 /nfs/dbraw/zinc/27/61/75/573276175.db2.gz MEJRLKKJUZJFCJ-RYUDHWBXSA-N 2 2 198.354 1.964 10 0 ADAELP CCCC(=O)C[N@H+](C)C1CC[NH2+]CC1 50184593 573279235 /nfs/dbraw/zinc/27/92/35/573279235.db2.gz UZKHGAYVYZHGGI-UHFFFAOYSA-N 2 2 198.310 1.039 10 0 ADAELP CCCC(=O)C[N@@H+](C)C1CC[NH2+]CC1 50184593 573279239 /nfs/dbraw/zinc/27/92/39/573279239.db2.gz UZKHGAYVYZHGGI-UHFFFAOYSA-N 2 2 198.310 1.039 10 0 ADAELP C[NH+](C)[C@@H](C[NH3+])Cc1cccc(F)c1 74241616 573279552 /nfs/dbraw/zinc/27/95/52/573279552.db2.gz VDNSHYZPXNQZJJ-LLVKDONJSA-N 2 2 196.269 1.257 10 0 ADAELP C[NH2+][C@@H](CCc1cn(C)c[nH+]1)C(C)C 308537967 573281212 /nfs/dbraw/zinc/28/12/12/573281212.db2.gz LVVPFYFIEHCWGG-NSHDSACASA-N 2 2 195.310 1.597 10 0 ADAELP C[NH2+]CCCC1=[NH+]CCS1 238332166 573281657 /nfs/dbraw/zinc/28/16/57/573281657.db2.gz WPZKGGAZMFZVFH-UHFFFAOYSA-N 2 2 158.270 1.131 10 0 ADAELP CC[NH2+][C@@H](C)CCc1cn(CC)c[nH+]1 308533852 573281714 /nfs/dbraw/zinc/28/17/14/573281714.db2.gz KWAURMNIHDMGPO-JTQLQIEISA-N 2 2 195.310 1.834 10 0 ADAELP CCC[C@@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 308537915 573283759 /nfs/dbraw/zinc/28/37/59/573283759.db2.gz LUCJDLAJPSBFCS-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[C@@H](C1CC1)[N@H+]1CCC[NH2+]CC1 308537915 573283767 /nfs/dbraw/zinc/28/37/67/573283767.db2.gz LUCJDLAJPSBFCS-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)C[C@@H]1C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H]2C[NH2+]1 74245617 573284850 /nfs/dbraw/zinc/28/48/50/573284850.db2.gz AYKHTQDYGPXTFO-USZNOCQGSA-N 2 2 194.322 1.325 10 0 ADAELP CC(C)C[C@@H]1C[N@H+]2C[C@@H]3C[C@@H]3[C@@H]2C[NH2+]1 74245617 573284854 /nfs/dbraw/zinc/28/48/54/573284854.db2.gz AYKHTQDYGPXTFO-USZNOCQGSA-N 2 2 194.322 1.325 10 0 ADAELP CC[NH2+][C@H](C)CCc1cn(CC)c[nH+]1 308533854 573285199 /nfs/dbraw/zinc/28/51/99/573285199.db2.gz KWAURMNIHDMGPO-SNVBAGLBSA-N 2 2 195.310 1.834 10 0 ADAELP CC(C)c1[nH+]c2c(n1C)CC[C@@H]([NH3+])C2 74247469 573286140 /nfs/dbraw/zinc/28/61/40/573286140.db2.gz SZZBGJSNBLDNBQ-MRVPVSSYSA-N 2 2 193.294 1.360 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 129444711 573286393 /nfs/dbraw/zinc/28/63/93/573286393.db2.gz PRBKTVVNLYETHL-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 129444711 573286398 /nfs/dbraw/zinc/28/63/98/573286398.db2.gz PRBKTVVNLYETHL-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP CN(C)c1cc[nH+]c([C@H]([NH3+])C2CC2)c1 238333963 573288039 /nfs/dbraw/zinc/28/80/39/573288039.db2.gz OCMAVXSDAQGUOT-LLVKDONJSA-N 2 2 191.278 1.557 10 0 ADAELP CC(C)c1[nH+]c2c(n1C)CC[C@H]([NH3+])C2 74247468 573288182 /nfs/dbraw/zinc/28/81/82/573288182.db2.gz SZZBGJSNBLDNBQ-QMMMGPOBSA-N 2 2 193.294 1.360 10 0 ADAELP CC[NH2+]C[C@@H](C)Cc1cn(CC)c[nH+]1 308534491 573288346 /nfs/dbraw/zinc/28/83/46/573288346.db2.gz KYONWWHPWPDCOQ-JTQLQIEISA-N 2 2 195.310 1.691 10 0 ADAELP CC[NH2+]C[C@H](C)Cc1cn(CC)c[nH+]1 308534492 573288475 /nfs/dbraw/zinc/28/84/75/573288475.db2.gz KYONWWHPWPDCOQ-SNVBAGLBSA-N 2 2 195.310 1.691 10 0 ADAELP CC(C)c1[nH+]cn2c1[C@@H](CC[NH3+])CC2 74247443 573290809 /nfs/dbraw/zinc/29/08/09/573290809.db2.gz REKMIKZJKYIFDE-VIFPVBQESA-N 2 2 193.294 1.843 10 0 ADAELP Cc1cccc(NC[C@@H]([NH3+])C[NH3+])c1C 259070533 573293990 /nfs/dbraw/zinc/29/39/90/573293990.db2.gz XJFIJCPCXGFLEB-JTQLQIEISA-N 2 2 193.294 1.001 10 0 ADAELP CC[C@H](C)C[C@H]([NH3+])Cc1[nH+]ccn1C 132332451 573294169 /nfs/dbraw/zinc/29/41/69/573294169.db2.gz QTHJMRRACFTRJM-UWVGGRQHSA-N 2 2 195.310 1.726 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(C)c(C)c1C 259406904 573294245 /nfs/dbraw/zinc/29/42/45/573294245.db2.gz OINXJKHCEDXXTL-GFCCVEGCSA-N 2 2 192.306 1.831 10 0 ADAELP Cc1ccc([C@@H]([NH+](C)C)C2([NH3+])CC2)o1 259071457 573294261 /nfs/dbraw/zinc/29/42/61/573294261.db2.gz DPFDXOZUONDPGT-SNVBAGLBSA-N 2 2 194.278 1.682 10 0 ADAELP CCC(C)(C)[C@@H]([NH3+])Cc1[nH+]ccn1C 132336242 573296490 /nfs/dbraw/zinc/29/64/90/573296490.db2.gz KDZBOZIKLOTOEN-VIFPVBQESA-N 2 2 195.310 1.726 10 0 ADAELP CC(C)[C@H](C)[C@@H]([NH3+])Cc1[nH+]ccn1C 132344437 573296546 /nfs/dbraw/zinc/29/65/46/573296546.db2.gz MUEHFLSJBXKEBP-UWVGGRQHSA-N 2 2 195.310 1.582 10 0 ADAELP CC[C@@H]1C[N@H+](C)C2(CCCC2)C[NH2+]1 82936889 573296669 /nfs/dbraw/zinc/29/66/69/573296669.db2.gz YLGAZXKKERLBET-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H]1C[N@@H+](C)C2(CCCC2)C[NH2+]1 82936889 573296674 /nfs/dbraw/zinc/29/66/74/573296674.db2.gz YLGAZXKKERLBET-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H](C1CC1)[C@H]([NH3+])Cc1[nH+]ccn1C 132337434 573296932 /nfs/dbraw/zinc/29/69/32/573296932.db2.gz AXHBSBQSXZBGGM-PSASIEDQSA-N 2 2 193.294 1.336 10 0 ADAELP CC[N@@H+]1C[C@@H](C)[NH2+]CC12CCCC2 82935444 573297034 /nfs/dbraw/zinc/29/70/34/573297034.db2.gz IBODYVLIJYPOOI-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1C[C@@H](C)[NH2+]CC12CCCC2 82935444 573297037 /nfs/dbraw/zinc/29/70/37/573297037.db2.gz IBODYVLIJYPOOI-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)[C@H]1C[N@@H+](C)[C@@](C)(C2CC2)C[NH2+]1 82936045 573297683 /nfs/dbraw/zinc/29/76/83/573297683.db2.gz KRCJTEISJSZDGI-VXGBXAGGSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C 82937050 573298000 /nfs/dbraw/zinc/29/80/00/573298000.db2.gz IFOYOJSEIYQFLP-GHMZBOCLSA-N 2 2 198.354 1.961 10 0 ADAELP CCc1[nH]c([C@H](C)C[NH3+])[nH+]c1CC 308342223 573298006 /nfs/dbraw/zinc/29/80/06/573298006.db2.gz RRCJHQBOQJPUSE-SSDOTTSWSA-N 2 2 181.283 1.597 10 0 ADAELP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)C[N@H+]1C 82937050 573298008 /nfs/dbraw/zinc/29/80/08/573298008.db2.gz IFOYOJSEIYQFLP-GHMZBOCLSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@@H](C[NH2+]C)c1[nH]cc(C)[nH+]1 259074637 573298090 /nfs/dbraw/zinc/29/80/90/573298090.db2.gz LDDXTAGSHKBNQV-QMMMGPOBSA-N 2 2 167.256 1.431 10 0 ADAELP CC(C)[C@H]1C[N@H+](C)[C@@](C)(C2CC2)C[NH2+]1 82936045 573297678 /nfs/dbraw/zinc/29/76/78/573297678.db2.gz KRCJTEISJSZDGI-VXGBXAGGSA-N 2 2 196.338 1.715 10 0 ADAELP CCc1c[nH+]c(CC[C@@H](C)[NH3+])[nH]1 259079033 573305780 /nfs/dbraw/zinc/30/57/80/573305780.db2.gz LLJZAMFHHGHQHR-SSDOTTSWSA-N 2 2 167.256 1.252 10 0 ADAELP CCC[C@@H](C[NH3+])[NH2+]Cc1coc(C)c1 308545185 573308202 /nfs/dbraw/zinc/30/82/02/573308202.db2.gz PJBGQHNFOUISEA-NSHDSACASA-N 2 2 196.294 1.805 10 0 ADAELP CCC[N@@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 82943003 573308294 /nfs/dbraw/zinc/30/82/94/573308294.db2.gz LAINCFUBFILTBK-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 82943003 573308299 /nfs/dbraw/zinc/30/82/99/573308299.db2.gz LAINCFUBFILTBK-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCc1[nH]c([C@@H]2CCC[C@@H]2[NH3+])c[nH+]1 74304439 573308399 /nfs/dbraw/zinc/30/83/99/573308399.db2.gz DSMUKINLOJVPFN-SFYZADRCSA-N 2 2 179.267 1.567 10 0 ADAELP CCc1[nH]cc([C@@H]2CCC[C@@H]2[NH3+])[nH+]1 74304439 573308403 /nfs/dbraw/zinc/30/84/03/573308403.db2.gz DSMUKINLOJVPFN-SFYZADRCSA-N 2 2 179.267 1.567 10 0 ADAELP CC[C@]1(C)C[N@H+](CC2CC2)CCC[NH2+]1 82942098 573308459 /nfs/dbraw/zinc/30/84/59/573308459.db2.gz BFCHGCMBBOLDEO-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@]1(C)C[N@@H+](CC2CC2)CCC[NH2+]1 82942098 573308464 /nfs/dbraw/zinc/30/84/64/573308464.db2.gz BFCHGCMBBOLDEO-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C 82943179 573308499 /nfs/dbraw/zinc/30/84/99/573308499.db2.gz BYLGNXMSFZOBHG-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C 82943179 573308501 /nfs/dbraw/zinc/30/85/01/573308501.db2.gz BYLGNXMSFZOBHG-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C 82942454 573308527 /nfs/dbraw/zinc/30/85/27/573308527.db2.gz FQHZAHBWNSGJFZ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 82942454 573308531 /nfs/dbraw/zinc/30/85/31/573308531.db2.gz FQHZAHBWNSGJFZ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@]1(C)C[N@H+](CC2CC2)CCC[NH2+]1 82942100 573309892 /nfs/dbraw/zinc/30/98/92/573309892.db2.gz BFCHGCMBBOLDEO-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@]1(C)C[N@@H+](CC2CC2)CCC[NH2+]1 82942100 573309898 /nfs/dbraw/zinc/30/98/98/573309898.db2.gz BFCHGCMBBOLDEO-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+]1CCC[NH2+]C[C@H]1CC(F)(F)F 238344932 573310039 /nfs/dbraw/zinc/31/00/39/573310039.db2.gz BZXQJNBHDLJROT-SSDOTTSWSA-N 2 2 196.216 1.233 10 0 ADAELP C[N@H+]1CCC[NH2+]C[C@H]1CC(F)(F)F 238344932 573310045 /nfs/dbraw/zinc/31/00/45/573310045.db2.gz BZXQJNBHDLJROT-SSDOTTSWSA-N 2 2 196.216 1.233 10 0 ADAELP C1C[NH2+][C@@H](C2CC2)C[N@H+](CC2CC2)C1 82942031 573310052 /nfs/dbraw/zinc/31/00/52/573310052.db2.gz NBWTZFXRDXYMJR-GFCCVEGCSA-N 2 2 194.322 1.470 10 0 ADAELP C1C[NH2+][C@@H](C2CC2)C[N@@H+](CC2CC2)C1 82942031 573310054 /nfs/dbraw/zinc/31/00/54/573310054.db2.gz NBWTZFXRDXYMJR-GFCCVEGCSA-N 2 2 194.322 1.470 10 0 ADAELP CC[C@@H]1C[N@H+](CC)[C@H](C)CC[NH2+]1 82943337 573310105 /nfs/dbraw/zinc/31/01/05/573310105.db2.gz YKKCHLBTZBSILA-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H]1C[N@@H+](CC)[C@H](C)CC[NH2+]1 82943337 573310109 /nfs/dbraw/zinc/31/01/09/573310109.db2.gz YKKCHLBTZBSILA-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1C 82943026 573310159 /nfs/dbraw/zinc/31/01/59/573310159.db2.gz QBEPUMVDNLDTGP-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1C 82943026 573310162 /nfs/dbraw/zinc/31/01/62/573310162.db2.gz QBEPUMVDNLDTGP-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943513 573310208 /nfs/dbraw/zinc/31/02/08/573310208.db2.gz LRJXKPBSCWTSRE-CMPLNLGQSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943513 573310211 /nfs/dbraw/zinc/31/02/11/573310211.db2.gz LRJXKPBSCWTSRE-CMPLNLGQSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@@H+]1CC1CC1 82942840 573310311 /nfs/dbraw/zinc/31/03/11/573310311.db2.gz DUVOAXWGFIOILK-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@H+]1CC1CC1 82942840 573310315 /nfs/dbraw/zinc/31/03/15/573310315.db2.gz DUVOAXWGFIOILK-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 82941701 573314034 /nfs/dbraw/zinc/31/40/34/573314034.db2.gz VYTWPHWPJNZIHF-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 82941701 573314038 /nfs/dbraw/zinc/31/40/38/573314038.db2.gz VYTWPHWPJNZIHF-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942455 573314080 /nfs/dbraw/zinc/31/40/80/573314080.db2.gz FQHZAHBWNSGJFZ-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942455 573314087 /nfs/dbraw/zinc/31/40/87/573314087.db2.gz FQHZAHBWNSGJFZ-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](c1cccs1)C1([NH3+])CC1 259079800 573314137 /nfs/dbraw/zinc/31/41/37/573314137.db2.gz CNHOQPVXSODXTO-MRVPVSSYSA-N 2 2 182.292 1.500 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C 308546082 573314299 /nfs/dbraw/zinc/31/42/99/573314299.db2.gz PPJMGIOZGPHJJR-UTUOFQBUSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C 82943177 573314304 /nfs/dbraw/zinc/31/43/04/573314304.db2.gz BYLGNXMSFZOBHG-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C 82943177 573314309 /nfs/dbraw/zinc/31/43/09/573314309.db2.gz BYLGNXMSFZOBHG-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@]1(C)C[N@@H+](C(C)C)CCC[NH2+]1 82942110 573314333 /nfs/dbraw/zinc/31/43/33/573314333.db2.gz LTTNOYPIDLRAAA-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@]1(C)C[N@H+](C(C)C)CCC[NH2+]1 82942110 573314335 /nfs/dbraw/zinc/31/43/35/573314335.db2.gz LTTNOYPIDLRAAA-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]([NH3+])C(C)(C)[NH+]1CCCCC1 74310709 573314341 /nfs/dbraw/zinc/31/43/41/573314341.db2.gz XWGZTKIETJMEBD-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CC(C)CC[N@@H+]1CCC[NH2+][C@H](C)C1 82941281 573314372 /nfs/dbraw/zinc/31/43/72/573314372.db2.gz OQJBJYKMQSROEC-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@H+]1CCC[NH2+][C@H](C)C1 82941281 573314380 /nfs/dbraw/zinc/31/43/80/573314380.db2.gz OQJBJYKMQSROEC-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C 308546080 573314458 /nfs/dbraw/zinc/31/44/58/573314458.db2.gz PPJMGIOZGPHJJR-SRVKXCTJSA-N 2 2 198.354 1.961 10 0 ADAELP CCC(CC)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 129514229 573323635 /nfs/dbraw/zinc/32/36/35/573323635.db2.gz LVNDGZPBGDPRMX-KOLCDFICSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 82953759 573324178 /nfs/dbraw/zinc/32/41/78/573324178.db2.gz QHQBLFSODCAVLS-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CCC(CC)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 129514229 573323647 /nfs/dbraw/zinc/32/36/47/573323647.db2.gz LVNDGZPBGDPRMX-KOLCDFICSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 82953759 573324184 /nfs/dbraw/zinc/32/41/84/573324184.db2.gz QHQBLFSODCAVLS-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@H+](CC1CCC1)[C@@]1(C)CC[NH2+]C1 308859579 573323721 /nfs/dbraw/zinc/32/37/21/573323721.db2.gz YKANTAUIXSUGOU-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@@H+](CC1CCC1)[C@@]1(C)CC[NH2+]C1 308859579 573323729 /nfs/dbraw/zinc/32/37/29/573323729.db2.gz YKANTAUIXSUGOU-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 82953755 573323731 /nfs/dbraw/zinc/32/37/31/573323731.db2.gz QUAMXRBMTATBJE-LLVKDONJSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 82953755 573323737 /nfs/dbraw/zinc/32/37/37/573323737.db2.gz QUAMXRBMTATBJE-LLVKDONJSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[C@]1(C[NH+]2CC=CC2)CCC[NH2+]1 308552605 573323889 /nfs/dbraw/zinc/32/38/89/573323889.db2.gz SOCLFLRJSDMJEL-GFCCVEGCSA-N 2 2 194.322 1.781 10 0 ADAELP CC1(C)C([NH2+][C@H]2CCC[NH2+]C2)C1(C)C 86239809 573324067 /nfs/dbraw/zinc/32/40/67/573324067.db2.gz LABIGLRCFVNPND-VIFPVBQESA-N 2 2 196.338 1.763 10 0 ADAELP CN(C)c1ccc(/C=C\CC[NH3+])c[nH+]1 308552809 573324108 /nfs/dbraw/zinc/32/41/08/573324108.db2.gz QVHZYXPWLUEYSE-HYXAFXHYSA-N 2 2 191.278 1.510 10 0 ADAELP C[NH2+][C@H](C)c1ccc2[nH+]ccn2c1 238342996 573328409 /nfs/dbraw/zinc/32/84/09/573328409.db2.gz DIBYNNQZRAOXTK-MRVPVSSYSA-N 2 2 175.235 1.615 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2C)C1 308549673 573328502 /nfs/dbraw/zinc/32/85/02/573328502.db2.gz RDTIMPFYFKTZPI-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C)C1 308549673 573328504 /nfs/dbraw/zinc/32/85/04/573328504.db2.gz RDTIMPFYFKTZPI-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[NH2+]CC/C=C/c1cn(C)c[nH+]1 308549050 573331069 /nfs/dbraw/zinc/33/10/69/573331069.db2.gz PCQAUZSFAKAFCC-GQCTYLIASA-N 2 2 193.294 1.821 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1OCCC[C@@H]1[NH3+] 86250540 573337326 /nfs/dbraw/zinc/33/73/26/573337326.db2.gz DTLGCPASZAKRRC-WCBMZHEXSA-N 2 2 195.266 1.082 10 0 ADAELP CC(C)C[C@@H]([NH3+])Cc1cn(C)c[nH+]1 308349983 573337475 /nfs/dbraw/zinc/33/74/75/573337475.db2.gz XXGHXWGGPFXNMC-SECBINFHSA-N 2 2 181.283 1.336 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(C)s1 258006631 573337544 /nfs/dbraw/zinc/33/75/44/573337544.db2.gz FBLDIBOOVZIZJM-ZETCQYMHSA-N 2 2 170.281 1.276 10 0 ADAELP CCOc1ccccc1[C@@H](C[NH3+])[NH2+]C 50269820 573337613 /nfs/dbraw/zinc/33/76/13/573337613.db2.gz QLEYSCNWLUBILH-SNVBAGLBSA-N 2 2 194.278 1.305 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(CC)cc1 50270138 573337628 /nfs/dbraw/zinc/33/76/28/573337628.db2.gz BXMLQHFEXPEQOK-GFCCVEGCSA-N 2 2 192.306 1.858 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(OC)cc1 50270115 573337655 /nfs/dbraw/zinc/33/76/55/573337655.db2.gz UHBZADOPWVCQBS-LLVKDONJSA-N 2 2 194.278 1.305 10 0 ADAELP CCCn1c[nH+]cc1[C@@H]1OCC[C@H]1[NH3+] 86249616 573338762 /nfs/dbraw/zinc/33/87/62/573338762.db2.gz RFBGJAWHSIYBQG-PSASIEDQSA-N 2 2 195.266 1.082 10 0 ADAELP C[NH2+][C@H](C[NH2+]C1CC1)c1ccccc1 259423475 573338844 /nfs/dbraw/zinc/33/88/44/573338844.db2.gz NPYRTQUZMFVTPU-GFCCVEGCSA-N 2 2 190.290 1.699 10 0 ADAELP CCCn1c[nH+]cc1[C@@H]1OCC[C@@H]1[NH3+] 86249619 573338858 /nfs/dbraw/zinc/33/88/58/573338858.db2.gz RFBGJAWHSIYBQG-WCBMZHEXSA-N 2 2 195.266 1.082 10 0 ADAELP CCOc1cccc([C@H](C[NH3+])[NH2+]C)c1 50270004 573338860 /nfs/dbraw/zinc/33/88/60/573338860.db2.gz CGRPDAHBRZHUIH-NSHDSACASA-N 2 2 194.278 1.305 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(C)o1 50270124 573338907 /nfs/dbraw/zinc/33/89/07/573338907.db2.gz VHCUNLMOQPPWDI-QMMMGPOBSA-N 2 2 168.240 1.197 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(C)cc1 50270105 573338967 /nfs/dbraw/zinc/33/89/67/573338967.db2.gz RQGPENLUYJSSAF-LLVKDONJSA-N 2 2 178.279 1.604 10 0 ADAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] 259421889 573339134 /nfs/dbraw/zinc/33/91/34/573339134.db2.gz MTQYEZDNGREZFA-KCJUWKMLSA-N 2 2 194.278 1.303 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1ccccc1F 50270912 573341481 /nfs/dbraw/zinc/34/14/81/573341481.db2.gz LAKIQRUIEFJKEF-LLVKDONJSA-N 2 2 196.269 1.824 10 0 ADAELP Cc1cccc([C@H](C[NH3+])[NH2+]C2CC2)c1 50271112 573341517 /nfs/dbraw/zinc/34/15/17/573341517.db2.gz SVGVZRZIGZBEDK-LBPRGKRZSA-N 2 2 190.290 1.747 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(F)cc1 50270181 573341536 /nfs/dbraw/zinc/34/15/36/573341536.db2.gz ROMCLFFZEKPTIH-SNVBAGLBSA-N 2 2 182.242 1.435 10 0 ADAELP CC(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 129543320 573341540 /nfs/dbraw/zinc/34/15/40/573341540.db2.gz TWPUWMBIVYDVEZ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 129543320 573341546 /nfs/dbraw/zinc/34/15/46/573341546.db2.gz TWPUWMBIVYDVEZ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP Cc1c[nH+]c(C(C)(C)CC[NH3+])[nH]1 259091175 573341560 /nfs/dbraw/zinc/34/15/60/573341560.db2.gz MWPLAFUAGJBRGB-UHFFFAOYSA-N 2 2 167.256 1.345 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccccc1Cl 50270175 573341570 /nfs/dbraw/zinc/34/15/70/573341570.db2.gz ZNOWHNUKVDGWTQ-SNVBAGLBSA-N 2 2 198.697 1.949 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1cccs1 50270504 573341683 /nfs/dbraw/zinc/34/16/83/573341683.db2.gz KLZHSUVXWKLPCM-QMMMGPOBSA-N 2 2 184.308 1.748 10 0 ADAELP C[NH2+][C@H](C)CC(C)(C)c1cn(C)c[nH+]1 308555085 573341810 /nfs/dbraw/zinc/34/18/10/573341810.db2.gz RRYRQDWZKWWPMI-SECBINFHSA-N 2 2 195.310 1.696 10 0 ADAELP CCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 129571804 573341938 /nfs/dbraw/zinc/34/19/38/573341938.db2.gz NROUKWNLLKLEOS-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 129571804 573341943 /nfs/dbraw/zinc/34/19/43/573341943.db2.gz NROUKWNLLKLEOS-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@@H]1[NH2+]CCCC1(C)C 235562540 573342022 /nfs/dbraw/zinc/34/20/22/573342022.db2.gz MZGHSSBLIGXHDH-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@@H]1[NH2+]CCCC1(C)C 235562540 573342028 /nfs/dbraw/zinc/34/20/28/573342028.db2.gz MZGHSSBLIGXHDH-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccccc1[C@H](C[NH3+])[NH2+]C1CC1 50271108 573343464 /nfs/dbraw/zinc/34/34/64/573343464.db2.gz WYHBZSUHJZGYNN-LBPRGKRZSA-N 2 2 190.290 1.747 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccccc1F 50270241 573343548 /nfs/dbraw/zinc/34/35/48/573343548.db2.gz IVIQQHMKJITQDF-SNVBAGLBSA-N 2 2 182.242 1.435 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccco1 50270846 573343687 /nfs/dbraw/zinc/34/36/87/573343687.db2.gz MRDRKWKUJNPPTC-QMMMGPOBSA-N 2 2 168.240 1.277 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(CC)cc1 50270139 573344482 /nfs/dbraw/zinc/34/44/82/573344482.db2.gz BXMLQHFEXPEQOK-LBPRGKRZSA-N 2 2 192.306 1.858 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1ccc(F)cc1 50270851 573344533 /nfs/dbraw/zinc/34/45/33/573344533.db2.gz QRLSXOYRDCCIIJ-LLVKDONJSA-N 2 2 196.269 1.824 10 0 ADAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cn1 308557742 573344540 /nfs/dbraw/zinc/34/45/40/573344540.db2.gz VCFWYHBUPWZAKS-UWVGGRQHSA-N 2 2 193.294 1.215 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1ccccc1 50271251 573344626 /nfs/dbraw/zinc/34/46/26/573344626.db2.gz RYDONUAMJLQGAC-LLVKDONJSA-N 2 2 176.263 1.438 10 0 ADAELP Cc1cccc([C@@H](C[NH3+])[NH2+]C(C)C)c1 50270776 573344644 /nfs/dbraw/zinc/34/46/44/573344644.db2.gz LDHXMBQWRBYYNG-GFCCVEGCSA-N 2 2 192.306 1.993 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])[NH2+]C2CC2)s1 50271307 573344775 /nfs/dbraw/zinc/34/47/75/573344775.db2.gz OJODYDDZBNPXJU-SECBINFHSA-N 2 2 196.319 1.808 10 0 ADAELP CCCn1cc[nH+]c1C[C@H]1C=CC[NH2+]1 308557530 573344875 /nfs/dbraw/zinc/34/48/75/573344875.db2.gz UBCNMJBSWZSFGC-SNVBAGLBSA-N 2 2 191.278 1.364 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1cccc(C)c1C 50270361 573344902 /nfs/dbraw/zinc/34/49/02/573344902.db2.gz KSZNIUSPWABMGU-LBPRGKRZSA-N 2 2 192.306 1.913 10 0 ADAELP Cc1ccsc1[C@H](C[NH3+])[NH2+]C1CC1 50271158 573345015 /nfs/dbraw/zinc/34/50/15/573345015.db2.gz IZXIEGYXFGFQPG-VIFPVBQESA-N 2 2 196.319 1.808 10 0 ADAELP CCCCC[NH2+][C@H]1CCC[N@H+](C)C1 40672550 573345887 /nfs/dbraw/zinc/34/58/87/573345887.db2.gz VYWRDIGIEFVWHG-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCCCC[NH2+][C@H]1CCC[N@@H+](C)C1 40672550 573345894 /nfs/dbraw/zinc/34/58/94/573345894.db2.gz VYWRDIGIEFVWHG-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(C)cc1C 50270142 573345926 /nfs/dbraw/zinc/34/59/26/573345926.db2.gz RRKQZUZCRPTYCE-LBPRGKRZSA-N 2 2 192.306 1.913 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccc(F)cc1 50270514 573345989 /nfs/dbraw/zinc/34/59/89/573345989.db2.gz ZXMSPUVJSHXGST-NSHDSACASA-N 2 2 196.269 1.825 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccc(C)o1 50270458 573345999 /nfs/dbraw/zinc/34/59/99/573345999.db2.gz SRYUPFRFOYXBOA-VIFPVBQESA-N 2 2 182.267 1.587 10 0 ADAELP CC(C)[NH2+]CC[C@H](C)c1cn(C)c[nH+]1 308558070 573346130 /nfs/dbraw/zinc/34/61/30/573346130.db2.gz UGZYHVFBDBADGQ-JTQLQIEISA-N 2 2 195.310 1.912 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1cccnc1 50270890 573346131 /nfs/dbraw/zinc/34/61/31/573346131.db2.gz UHKMPWXHPCOTRH-JTQLQIEISA-N 2 2 179.267 1.079 10 0 ADAELP CC(C)c1c[nH]c([C@@H]2CC[NH2+]C2)[nH+]1 86276571 573346172 /nfs/dbraw/zinc/34/61/72/573346172.db2.gz LOIAKYDTHCYXOX-MRVPVSSYSA-N 2 2 179.267 1.610 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1cccc(F)c1 50271134 573346337 /nfs/dbraw/zinc/34/63/37/573346337.db2.gz UWLQVFAQRFSGTR-NSHDSACASA-N 2 2 194.253 1.578 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC(F)F)C1 308359712 573346342 /nfs/dbraw/zinc/34/63/42/573346342.db2.gz CSVPVTNIKOQYBF-JGVFFNPUSA-N 2 2 192.253 1.324 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC(F)F)C1 308359712 573346348 /nfs/dbraw/zinc/34/63/48/573346348.db2.gz CSVPVTNIKOQYBF-JGVFFNPUSA-N 2 2 192.253 1.324 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(Cl)cc1 50270157 573346357 /nfs/dbraw/zinc/34/63/57/573346357.db2.gz LVSQBTUCSHPCSU-SNVBAGLBSA-N 2 2 198.697 1.949 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccccc1C 50270436 573347005 /nfs/dbraw/zinc/34/70/05/573347005.db2.gz KCAOEPPZIXTUBJ-LBPRGKRZSA-N 2 2 192.306 1.994 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1cccc(C)c1C 50270362 573347088 /nfs/dbraw/zinc/34/70/88/573347088.db2.gz KSZNIUSPWABMGU-GFCCVEGCSA-N 2 2 192.306 1.913 10 0 ADAELP CCc1c(C)[nH+]c2c(C[NH3+])cccn12 74536293 573353990 /nfs/dbraw/zinc/35/39/90/573353990.db2.gz PDSARDDGXNOTED-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP CCCc1[nH+]cn(C)c1CC[NH2+]C 258493333 573357156 /nfs/dbraw/zinc/35/71/56/573357156.db2.gz CNXSRXLQTMBSJK-UHFFFAOYSA-N 2 2 181.283 1.135 10 0 ADAELP C[C@H](C[NH3+])[C@@H](C)n1cc[nH+]c1 86312961 573358806 /nfs/dbraw/zinc/35/88/06/573358806.db2.gz SEWAMBOXDWCKMV-HTQZYQBOSA-N 2 2 153.229 1.039 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H](C)CC1CC1 132880584 573357057 /nfs/dbraw/zinc/35/70/57/573357057.db2.gz LDAOOURIKHBZLF-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H](C)CC1CC1 132880584 573357061 /nfs/dbraw/zinc/35/70/61/573357061.db2.gz LDAOOURIKHBZLF-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+]1CCCC1 308562994 573359378 /nfs/dbraw/zinc/35/93/78/573359378.db2.gz YNGDBZIEXBMNQW-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH3+])[C@@H](C)n1cc[nH+]c1 86312960 573359596 /nfs/dbraw/zinc/35/95/96/573359596.db2.gz SEWAMBOXDWCKMV-JGVFFNPUSA-N 2 2 153.229 1.039 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](C)CC1CC1 308563927 573365427 /nfs/dbraw/zinc/36/54/27/573365427.db2.gz GWQBMALPDUUVNX-HOSYDEDBSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](C)CC1CC1 308563927 573365431 /nfs/dbraw/zinc/36/54/31/573365431.db2.gz GWQBMALPDUUVNX-HOSYDEDBSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[NH2+]CC[NH2+][C@@H](C)CC(F)F 308369284 573365606 /nfs/dbraw/zinc/36/56/06/573365606.db2.gz JVEYXJCUGMWPMJ-QMMMGPOBSA-N 2 2 194.269 1.619 10 0 ADAELP C[C@H](CC1CC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 308563925 573365608 /nfs/dbraw/zinc/36/56/08/573365608.db2.gz GWQBMALPDUUVNX-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](CC1CC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 308563925 573365610 /nfs/dbraw/zinc/36/56/10/573365610.db2.gz GWQBMALPDUUVNX-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[NH2+]CCCCc1cn(C)c[nH+]1 308563561 573365643 /nfs/dbraw/zinc/36/56/43/573365643.db2.gz GNRHPVYOIMTMQE-UHFFFAOYSA-N 2 2 195.310 1.742 10 0 ADAELP CCC[NH2+]CC[NH2+][C@H](C)CC(F)F 308369283 573365652 /nfs/dbraw/zinc/36/56/52/573365652.db2.gz JVEYXJCUGMWPMJ-MRVPVSSYSA-N 2 2 194.269 1.619 10 0 ADAELP Cc1ccccc1[C@@]1(C[NH3+])CC[NH2+]1 258318391 573365843 /nfs/dbraw/zinc/36/58/43/573365843.db2.gz UDPGDPMUQWRODS-NSHDSACASA-N 2 2 176.263 1.142 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+]2Cc3ccccc3[C@@H]12 107124919 573365911 /nfs/dbraw/zinc/36/59/11/573365911.db2.gz RISYMGLOWPSOOZ-MNOVXSKESA-N 2 2 174.247 1.274 10 0 ADAELP [NH3+][C@@H]1CC[N@H+]2Cc3ccccc3[C@@H]12 107124919 573365919 /nfs/dbraw/zinc/36/59/19/573365919.db2.gz RISYMGLOWPSOOZ-MNOVXSKESA-N 2 2 174.247 1.274 10 0 ADAELP C[C@@H](CC(F)F)[NH2+][C@H]1CC[N@H+](C)C1 308376895 573374122 /nfs/dbraw/zinc/37/41/22/573374122.db2.gz OINPVNLRMDTBLG-YUMQZZPRSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@@H](CC(F)F)[NH2+][C@H]1CC[N@@H+](C)C1 308376895 573374130 /nfs/dbraw/zinc/37/41/30/573374130.db2.gz OINPVNLRMDTBLG-YUMQZZPRSA-N 2 2 192.253 1.324 10 0 ADAELP C[NH+](C)c1ccc(O)c(CCC[NH3+])c1 258014163 573374133 /nfs/dbraw/zinc/37/41/33/573374133.db2.gz HQEURIPYVSFGTB-UHFFFAOYSA-N 2 2 194.278 1.350 10 0 ADAELP CC(C)(C)[C@H]([NH3+])CC[NH2+]CC(F)F 129628210 573378622 /nfs/dbraw/zinc/37/86/22/573378622.db2.gz LJXCJIJVSXPSPE-SSDOTTSWSA-N 2 2 194.269 1.605 10 0 ADAELP C[NH2+][C@@H](C)Cn1c[nH+]cc1C(C)(C)C 308567206 573385464 /nfs/dbraw/zinc/38/54/64/573385464.db2.gz YYHKDOWDIHJPAF-VIFPVBQESA-N 2 2 195.310 1.789 10 0 ADAELP COc1cc(NCC[C@H](C)[NH3+])cc[nH+]1 133236770 573389391 /nfs/dbraw/zinc/38/93/91/573389391.db2.gz CQHAVQYTLHSVEX-QMMMGPOBSA-N 2 2 195.266 1.239 10 0 ADAELP Cc1cc(C)[nH+]c(NCC[NH3+])c1 107160898 573389473 /nfs/dbraw/zinc/38/94/73/573389473.db2.gz GMRSJXDYZUYJKA-UHFFFAOYSA-N 2 2 165.240 1.069 10 0 ADAELP CC[N@@H+]1CCCC[C@@H]1C1([NH3+])CCC1 258012473 573389476 /nfs/dbraw/zinc/38/94/76/573389476.db2.gz MYMCJXHMPKTKNH-SNVBAGLBSA-N 2 2 182.311 1.742 10 0 ADAELP CC[N@H+]1CCCC[C@@H]1C1([NH3+])CCC1 258012473 573389481 /nfs/dbraw/zinc/38/94/81/573389481.db2.gz MYMCJXHMPKTKNH-SNVBAGLBSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@@H]1C[N@H+](CC(C)(C)C)CCC[NH2+]1 83092490 573393688 /nfs/dbraw/zinc/39/36/88/573393688.db2.gz IUTAAHQFNBAMCB-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](CC(C)(C)C)CCC[NH2+]1 83092490 573393694 /nfs/dbraw/zinc/39/36/94/573393694.db2.gz IUTAAHQFNBAMCB-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC1(C)C[N@@H+](C2CCC2)CCC[NH2+]1 83093041 573393786 /nfs/dbraw/zinc/39/37/86/573393786.db2.gz ROHXFFIYAKPRLA-UHFFFAOYSA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)C[N@H+](C2CCC2)CCC[NH2+]1 83093041 573393790 /nfs/dbraw/zinc/39/37/90/573393790.db2.gz ROHXFFIYAKPRLA-UHFFFAOYSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]([NH3+])CNc1cc[nH+]c(OC)c1 133241407 573393855 /nfs/dbraw/zinc/39/38/55/573393855.db2.gz LRNSLQOAUCHCLO-QMMMGPOBSA-N 2 2 195.266 1.239 10 0 ADAELP C[C@H]1CCC[C@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 83093285 573393866 /nfs/dbraw/zinc/39/38/66/573393866.db2.gz ZBQIAJDFHUROPV-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@H]1[N@H+]1CCC[NH2+][C@H](C)C1 83093285 573393870 /nfs/dbraw/zinc/39/38/70/573393870.db2.gz ZBQIAJDFHUROPV-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@H+]([C@@H](C)CC)CCC[NH2+]1 83091441 573393951 /nfs/dbraw/zinc/39/39/51/573393951.db2.gz VZVYHEWHGHOQSB-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1C[N@@H+]([C@@H](C)CC)CCC[NH2+]1 83091441 573393956 /nfs/dbraw/zinc/39/39/56/573393956.db2.gz VZVYHEWHGHOQSB-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+]1CCC[NH2+][C@@H](C)C1 83091603 573394046 /nfs/dbraw/zinc/39/40/46/573394046.db2.gz FOSVPPXJHYJNLR-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](c1cccs1)[C@H](C)[NH3+] 259437153 573394048 /nfs/dbraw/zinc/39/40/48/573394048.db2.gz NMGZIDGRJUIHJY-POYBYMJQSA-N 2 2 170.281 1.356 10 0 ADAELP CCC(CC)[N@H+]1CCC[NH2+][C@@H](C)C1 83091603 573394052 /nfs/dbraw/zinc/39/40/52/573394052.db2.gz FOSVPPXJHYJNLR-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])[C@@]1(C)c1ccco1 107168680 573394105 /nfs/dbraw/zinc/39/41/05/573394105.db2.gz NWJNEAROHOFEGY-SCZZXKLOSA-N 2 2 180.251 1.158 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])[C@@]1(C)c1ccco1 107168680 573394114 /nfs/dbraw/zinc/39/41/14/573394114.db2.gz NWJNEAROHOFEGY-SCZZXKLOSA-N 2 2 180.251 1.158 10 0 ADAELP C[NH2+][C@H](c1cccs1)[C@H](C)[NH3+] 259437156 573394142 /nfs/dbraw/zinc/39/41/42/573394142.db2.gz NMGZIDGRJUIHJY-XPUUQOCRSA-N 2 2 170.281 1.356 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 83093281 573394173 /nfs/dbraw/zinc/39/41/73/573394173.db2.gz ZBQIAJDFHUROPV-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@H+]1CCC[NH2+][C@H](C)C1 83093281 573394180 /nfs/dbraw/zinc/39/41/80/573394180.db2.gz ZBQIAJDFHUROPV-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C1CC1)[N@@H+]1CCC[NH2+]C(C)(C)C1 83092011 573395720 /nfs/dbraw/zinc/39/57/20/573395720.db2.gz VVMBWNGKRJJUCK-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C1CC1)[N@H+]1CCC[NH2+]C(C)(C)C1 83092011 573395724 /nfs/dbraw/zinc/39/57/24/573395724.db2.gz VVMBWNGKRJJUCK-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@H+]([C@@H](C)CC2CC2)CCC[NH2+]1 83093605 573395219 /nfs/dbraw/zinc/39/52/19/573395219.db2.gz FPWKUKOQTSOOIR-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@@H+]([C@@H](C)CC2CC2)CCC[NH2+]1 83093605 573395223 /nfs/dbraw/zinc/39/52/23/573395223.db2.gz FPWKUKOQTSOOIR-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)Cc1cn2c([nH+]1)CCC[C@@H]2[NH3+] 258644810 573395240 /nfs/dbraw/zinc/39/52/40/573395240.db2.gz WUNGRJAHDZFZCW-SNVBAGLBSA-N 2 2 193.294 1.875 10 0 ADAELP [NH3+][C@@H](c1cc(F)ccc1F)C1C[NH2+]C1 259094259 573395305 /nfs/dbraw/zinc/39/53/05/573395305.db2.gz AOHRHLPZDMNWAF-SNVBAGLBSA-N 2 2 198.216 1.184 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CCC[NH2+][C@H](C)C1 83093809 573395452 /nfs/dbraw/zinc/39/54/52/573395452.db2.gz IXENDCSLELRLDU-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CCC[NH2+][C@H](C)C1 83093809 573395460 /nfs/dbraw/zinc/39/54/60/573395460.db2.gz IXENDCSLELRLDU-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CCC[NH2+]C(C)(C)C1 83092008 573395624 /nfs/dbraw/zinc/39/56/24/573395624.db2.gz VVMBWNGKRJJUCK-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CCC[NH2+]C(C)(C)C1 83092008 573395626 /nfs/dbraw/zinc/39/56/26/573395626.db2.gz VVMBWNGKRJJUCK-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C1=CC[C@@H](C[N@@H+]2CCC[NH2+]CC2)CC1 83092920 573395794 /nfs/dbraw/zinc/39/57/94/573395794.db2.gz BAPDLXIDHAHQTO-GFCCVEGCSA-N 2 2 194.322 1.638 10 0 ADAELP C1=CC[C@@H](C[N@H+]2CCC[NH2+]CC2)CC1 83092920 573395799 /nfs/dbraw/zinc/39/57/99/573395799.db2.gz BAPDLXIDHAHQTO-GFCCVEGCSA-N 2 2 194.322 1.638 10 0 ADAELP C[C@@H](CC1CC1)[N@@H+]1CCC[NH2+][C@H](C)C1 83093602 573395824 /nfs/dbraw/zinc/39/58/24/573395824.db2.gz FPWKUKOQTSOOIR-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](CC1CC1)[N@H+]1CCC[NH2+][C@H](C)C1 83093602 573395829 /nfs/dbraw/zinc/39/58/29/573395829.db2.gz FPWKUKOQTSOOIR-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C=COCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 126195430 573395847 /nfs/dbraw/zinc/39/58/47/573395847.db2.gz DGSYSWFZGADTPL-GHMZBOCLSA-N 2 2 198.310 1.219 10 0 ADAELP C=COCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 126195430 573395850 /nfs/dbraw/zinc/39/58/50/573395850.db2.gz DGSYSWFZGADTPL-GHMZBOCLSA-N 2 2 198.310 1.219 10 0 ADAELP CC[C@H]1C[N@@H+]([C@@H](C)C2CC2)CCC[NH2+]1 83092032 573396013 /nfs/dbraw/zinc/39/60/13/573396013.db2.gz BKSGZKGAMCHBAB-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@H+]([C@@H](C)C2CC2)CCC[NH2+]1 83092032 573396016 /nfs/dbraw/zinc/39/60/16/573396016.db2.gz BKSGZKGAMCHBAB-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C1CC([N@H+]2CCC[NH2+][C@@H](C3CC3)C2)C1 83093063 573396221 /nfs/dbraw/zinc/39/62/21/573396221.db2.gz LMPFUUBGINGUGR-GFCCVEGCSA-N 2 2 194.322 1.613 10 0 ADAELP C1CC([N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)C1 83093063 573396224 /nfs/dbraw/zinc/39/62/24/573396224.db2.gz LMPFUUBGINGUGR-GFCCVEGCSA-N 2 2 194.322 1.613 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])[C@@]1(C)c1ccccc1 107175828 573401493 /nfs/dbraw/zinc/40/14/93/573401493.db2.gz BEVUYPPGWXOZMO-NWDGAFQWSA-N 2 2 190.290 1.565 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])[C@@]1(C)c1ccccc1 107175828 573401498 /nfs/dbraw/zinc/40/14/98/573401498.db2.gz BEVUYPPGWXOZMO-NWDGAFQWSA-N 2 2 190.290 1.565 10 0 ADAELP C[NH2+][C@@H](C[NH+](C)C)C1CC2(CCC2)C1 717628750 573402862 /nfs/dbraw/zinc/40/28/62/573402862.db2.gz NFIXTCWXXHJOCM-NSHDSACASA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](C2CCC2)CCC[NH2+]1 83099789 573402992 /nfs/dbraw/zinc/40/29/92/573402992.db2.gz GXAUFQDRAXRQBG-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1C[N@H+](C2CCC2)CCC[NH2+]1 83099789 573402997 /nfs/dbraw/zinc/40/29/97/573402997.db2.gz GXAUFQDRAXRQBG-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP [NH3+][C@H](c1ccc(F)cc1)C1([NH3+])CC1 259441069 573404262 /nfs/dbraw/zinc/40/42/62/573404262.db2.gz NPKRKSPTWNIYAN-SECBINFHSA-N 2 2 180.226 1.317 10 0 ADAELP Cc1cc(C)[nH+]c(N[C@@H]2CC[NH2+]C2)c1 107177900 573404442 /nfs/dbraw/zinc/40/44/42/573404442.db2.gz XBPKSIGZIAUWPI-SNVBAGLBSA-N 2 2 191.278 1.472 10 0 ADAELP CC[C@@H]1C[N@@H+](C2CCC2)CCC[NH2+]1 83106095 573404882 /nfs/dbraw/zinc/40/48/82/573404882.db2.gz NLVJFXGSIXZQNZ-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H]1C[N@H+](C2CCC2)CCC[NH2+]1 83106095 573404885 /nfs/dbraw/zinc/40/48/85/573404885.db2.gz NLVJFXGSIXZQNZ-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+](C)CC[NH2+]C1CC(C)(C)C1 308380276 573404994 /nfs/dbraw/zinc/40/49/94/573404994.db2.gz UMVHSXTVZDQYMT-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C1CC(C)(C)C1 308380276 573404998 /nfs/dbraw/zinc/40/49/98/573404998.db2.gz UMVHSXTVZDQYMT-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H](C[NH3+])Nc1ccc2c([nH+]1)CCC2 107177896 573405072 /nfs/dbraw/zinc/40/50/72/573405072.db2.gz CHQPPBDGAKOZTB-MRVPVSSYSA-N 2 2 191.278 1.329 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H]1CC[C@@H]([NH3+])C1 86400575 573405255 /nfs/dbraw/zinc/40/52/55/573405255.db2.gz DKDGOEDTIOWFDX-NXEZZACHSA-N 2 2 191.278 1.682 10 0 ADAELP C[N@@H+]1CCC[C@](F)(C(F)(F)C[NH3+])C1 257810526 573405316 /nfs/dbraw/zinc/40/53/16/573405316.db2.gz AKOZVGOOMDWVBR-SSDOTTSWSA-N 2 2 196.216 1.014 10 0 ADAELP C[N@H+]1CCC[C@](F)(C(F)(F)C[NH3+])C1 257810526 573405321 /nfs/dbraw/zinc/40/53/21/573405321.db2.gz AKOZVGOOMDWVBR-SSDOTTSWSA-N 2 2 196.216 1.014 10 0 ADAELP C[N@@H+]1CCC[C@@](F)(C(F)(F)C[NH3+])C1 257810527 573405531 /nfs/dbraw/zinc/40/55/31/573405531.db2.gz AKOZVGOOMDWVBR-ZETCQYMHSA-N 2 2 196.216 1.014 10 0 ADAELP C[N@H+]1CCC[C@@](F)(C(F)(F)C[NH3+])C1 257810527 573405535 /nfs/dbraw/zinc/40/55/35/573405535.db2.gz AKOZVGOOMDWVBR-ZETCQYMHSA-N 2 2 196.216 1.014 10 0 ADAELP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cscn2)C1 86400642 573405705 /nfs/dbraw/zinc/40/57/05/573405705.db2.gz XAXSGFDSLLTRIK-YUMQZZPRSA-N 2 2 197.307 1.113 10 0 ADAELP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2nccs2)C1 86399691 573407802 /nfs/dbraw/zinc/40/78/02/573407802.db2.gz CFJHMZFYLPLRNW-HTQZYQBOSA-N 2 2 197.307 1.113 10 0 ADAELP Cc1ccoc1C[N@@H+](C)C(C)(C)C[NH3+] 308575416 573407888 /nfs/dbraw/zinc/40/78/88/573407888.db2.gz MJHMNDBUMKKVOU-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP Cc1ccoc1C[N@H+](C)C(C)(C)C[NH3+] 308575416 573407893 /nfs/dbraw/zinc/40/78/93/573407893.db2.gz MJHMNDBUMKKVOU-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP Cc1cc[nH+]cc1N[C@H]1CC[C@H]([NH3+])C1 86400574 573407952 /nfs/dbraw/zinc/40/79/52/573407952.db2.gz DKDGOEDTIOWFDX-UWVGGRQHSA-N 2 2 191.278 1.682 10 0 ADAELP C[NH2+]CCn1c[nH+]cc1C(C)(C)C 133501921 573408082 /nfs/dbraw/zinc/40/80/82/573408082.db2.gz OMZIHGWUPLJCIH-UHFFFAOYSA-N 2 2 181.283 1.400 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C2CCC2)[nH]1 83136744 573423125 /nfs/dbraw/zinc/42/31/25/573423125.db2.gz CBRSMRMCCZVNHA-UHFFFAOYSA-N 2 2 165.240 1.397 10 0 ADAELP CC[C@@H](C)C[N@H+](CC)C[C@@H](C)[NH2+]C 86437280 573423530 /nfs/dbraw/zinc/42/35/30/573423530.db2.gz RTTBETGANUVKAG-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C)C[N@@H+](CC)C[C@@H](C)[NH2+]C 86437280 573423535 /nfs/dbraw/zinc/42/35/35/573423535.db2.gz RTTBETGANUVKAG-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP [NH3+]CCc1[nH]cc([C@H]2CCSC2)[nH+]1 258025306 573423567 /nfs/dbraw/zinc/42/35/67/573423567.db2.gz IGYZFXNEPZFIMA-ZETCQYMHSA-N 2 2 197.307 1.131 10 0 ADAELP Cc1ccc2c(c1)CC[NH2+][C@@H]2C[NH3+] 257812738 573436228 /nfs/dbraw/zinc/43/62/28/573436228.db2.gz BUMHNLNNLIBFOF-LLVKDONJSA-N 2 2 176.263 1.141 10 0 ADAELP CCC([NH3+])(CC)COCc1[nH]cc[nH+]1 308582442 573436934 /nfs/dbraw/zinc/43/69/34/573436934.db2.gz QBIKARTZILTSPS-UHFFFAOYSA-N 2 2 197.282 1.444 10 0 ADAELP C1C[NH2+][C@H]2C[N@H+](C3CC3)CC[C@@H]2C1 107228003 573440730 /nfs/dbraw/zinc/44/07/30/573440730.db2.gz JHTFTQXMLMGMDE-ONGXEEELSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[NH2+][C@H]2C[N@@H+](C3CC3)CC[C@@H]2C1 107228003 573440736 /nfs/dbraw/zinc/44/07/36/573440736.db2.gz JHTFTQXMLMGMDE-ONGXEEELSA-N 2 2 180.295 1.223 10 0 ADAELP CC(C)[C@@]1(C[NH+](C)C)CCCC[NH2+]1 258355567 573443195 /nfs/dbraw/zinc/44/31/95/573443195.db2.gz YWOZBQYYTUFVLY-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](F)C1 107260886 573451983 /nfs/dbraw/zinc/45/19/83/573451983.db2.gz GAKDRGXSUFXBJL-IVZWLZJFSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](F)C1 107260886 573451991 /nfs/dbraw/zinc/45/19/91/573451991.db2.gz GAKDRGXSUFXBJL-IVZWLZJFSA-N 2 2 186.274 1.300 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCSC1 130061334 573452061 /nfs/dbraw/zinc/45/20/61/573452061.db2.gz FVGBRWSGPMNXAT-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP CC1CC([NH2+]CC[N@@H+]2CCC[C@H]2C)C1 308590183 573454658 /nfs/dbraw/zinc/45/46/58/573454658.db2.gz UVUPDHOYZVJIDS-MOENNCHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC1CC([NH2+]CC[N@H+]2CCC[C@H]2C)C1 308590183 573454664 /nfs/dbraw/zinc/45/46/64/573454664.db2.gz UVUPDHOYZVJIDS-MOENNCHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H]1CC 712155103 571716036 /nfs/dbraw/zinc/71/60/36/571716036.db2.gz CMMDYFWSKCVUTQ-QWRGUYRKSA-N 2 2 182.311 1.611 10 0 ADAELP CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H]1CC 712155103 571716039 /nfs/dbraw/zinc/71/60/39/571716039.db2.gz CMMDYFWSKCVUTQ-QWRGUYRKSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+]CC[NH+]1CCCC1 235278261 571716045 /nfs/dbraw/zinc/71/60/45/571716045.db2.gz ZFBRJGBYDNSHDL-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)[NH2+]C[C@H]([NH3+])c1ccc(F)cc1 259456870 573455151 /nfs/dbraw/zinc/45/51/51/573455151.db2.gz QSLMFJPDKHMKHB-NSHDSACASA-N 2 2 196.269 1.824 10 0 ADAELP C[C@H]1CC[C@H]([N@H+](C)[C@@H]2CCC[NH2+]C2)C1 70644941 571716963 /nfs/dbraw/zinc/71/69/63/571716963.db2.gz CWVCHZXKSHHUQS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@H]([N@@H+](C)[C@@H]2CCC[NH2+]C2)C1 70644941 571716964 /nfs/dbraw/zinc/71/69/64/571716964.db2.gz CWVCHZXKSHHUQS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+]C[C@@]12CCC[N@@H+]1Cc1ccccc12 107266534 573455291 /nfs/dbraw/zinc/45/52/91/573455291.db2.gz ZJKHOOUGVAUQCN-GFCCVEGCSA-N 2 2 188.274 1.450 10 0 ADAELP [NH3+]C[C@@]12CCC[N@H+]1Cc1ccccc12 107266534 573455296 /nfs/dbraw/zinc/45/52/96/573455296.db2.gz ZJKHOOUGVAUQCN-GFCCVEGCSA-N 2 2 188.274 1.450 10 0 ADAELP C[C@H](C[NH2+][C@H]1C=CCCC1)[NH+](C)C 235460670 571916733 /nfs/dbraw/zinc/91/67/33/571916733.db2.gz LTLMHVCAFZMABH-MNOVXSKESA-N 2 2 182.311 1.635 10 0 ADAELP CC(C)[NH2+]C[C@@H]([NH3+])c1ccc(F)cc1 259456868 573457078 /nfs/dbraw/zinc/45/70/78/573457078.db2.gz QSLMFJPDKHMKHB-LLVKDONJSA-N 2 2 196.269 1.824 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CC1(C)C 235438598 571909216 /nfs/dbraw/zinc/90/92/16/571909216.db2.gz WJPAGGGIOMALFG-ZJUUUORDSA-N 2 2 184.327 1.572 10 0 ADAELP C[N@@H+]1C[C@]2(CCCC[NH2+]2)CC12CC2 257814506 573459343 /nfs/dbraw/zinc/45/93/43/573459343.db2.gz CJKXYAXXHJBJIC-JTQLQIEISA-N 2 2 180.295 1.367 10 0 ADAELP C[N@H+]1C[C@]2(CCCC[NH2+]2)CC12CC2 257814506 573459348 /nfs/dbraw/zinc/45/93/48/573459348.db2.gz CJKXYAXXHJBJIC-JTQLQIEISA-N 2 2 180.295 1.367 10 0 ADAELP C[C@H]([NH2+][C@H](C)C[NH3+])c1cccnc1 235459496 571917151 /nfs/dbraw/zinc/91/71/51/571917151.db2.gz FEFPTKIDFMDBOS-BDAKNGLRSA-N 2 2 179.267 1.079 10 0 ADAELP C[NH2+]CC[NH2+]C[C@H](C)c1nccs1 234382383 571917196 /nfs/dbraw/zinc/91/71/96/571917196.db2.gz WMUUIDIRJISTHB-QMMMGPOBSA-N 2 2 199.323 1.056 10 0 ADAELP CC1(C)CO[C@](C)([C@@H]2CCCC[NH2+]2)[NH2+]1 258366586 573459407 /nfs/dbraw/zinc/45/94/07/573459407.db2.gz GPZIGDZPRKEJLG-GXSJLCMTSA-N 2 2 198.310 1.243 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053807 571971205 /nfs/dbraw/zinc/97/12/05/571971205.db2.gz QOKHWGHEMYMRLQ-YIZRAAEISA-N 2 2 158.289 1.452 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053807 571971207 /nfs/dbraw/zinc/97/12/07/571971207.db2.gz QOKHWGHEMYMRLQ-YIZRAAEISA-N 2 2 158.289 1.452 10 0 ADAELP C[N@H+](C[C@H]1CCC[NH2+]1)[C@@H]1C=CCCC1 234337238 571972771 /nfs/dbraw/zinc/97/27/71/571972771.db2.gz BFLPUEBGCMPLPB-VXGBXAGGSA-N 2 2 194.322 1.779 10 0 ADAELP C[N@@H+](C[C@H]1CCC[NH2+]1)[C@@H]1C=CCCC1 234337238 571972773 /nfs/dbraw/zinc/97/27/73/571972773.db2.gz BFLPUEBGCMPLPB-VXGBXAGGSA-N 2 2 194.322 1.779 10 0 ADAELP c1[nH]c(CC[C@H]2CCCC[NH2+]2)c[nH+]1 13530281 571984889 /nfs/dbraw/zinc/98/48/89/571984889.db2.gz PCDPTLHPAMRZIW-SECBINFHSA-N 2 2 179.267 1.484 10 0 ADAELP c1[nH]cc(CC[C@H]2CCCC[NH2+]2)[nH+]1 13530281 571984891 /nfs/dbraw/zinc/98/48/91/571984891.db2.gz PCDPTLHPAMRZIW-SECBINFHSA-N 2 2 179.267 1.484 10 0 ADAELP C[C@@H](CSCc1[nH]cc[nH+]1)[NH+](C)C 308391774 573471810 /nfs/dbraw/zinc/47/18/10/573471810.db2.gz YSPMCELHGKDDIZ-QMMMGPOBSA-N 2 2 199.323 1.593 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+](C[C@H](C)C(C)C)C1 81121699 571978196 /nfs/dbraw/zinc/97/81/96/571978196.db2.gz ZANXYXQSGZYDDP-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](C[C@H](C)C(C)C)C1 81121699 571978198 /nfs/dbraw/zinc/97/81/98/571978198.db2.gz ZANXYXQSGZYDDP-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1CCc2[nH+]cc(C3([NH3+])CC3)n2C1 214659071 571988528 /nfs/dbraw/zinc/98/85/28/571988528.db2.gz LXOSTMZPRWPYIO-MRVPVSSYSA-N 2 2 191.278 1.413 10 0 ADAELP C[C@H]1CCn2c(C3([NH3+])CC3)c[nH+]c2C1 214659392 571988613 /nfs/dbraw/zinc/98/86/13/571988613.db2.gz JIFQCVLXHFORJS-QMMMGPOBSA-N 2 2 191.278 1.413 10 0 ADAELP CCC[N@@H+](CC1CC1)C[C@H]([NH3+])C1CC1 68895322 572000699 /nfs/dbraw/zinc/00/06/99/572000699.db2.gz MGDJXCXJFKKPIA-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP CCC[N@H+](CC1CC1)C[C@H]([NH3+])C1CC1 68895322 572000700 /nfs/dbraw/zinc/00/07/00/572000700.db2.gz MGDJXCXJFKKPIA-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)C1CC1 68898280 572000938 /nfs/dbraw/zinc/00/09/38/572000938.db2.gz URXHSEOKEXFVPU-JTQLQIEISA-N 2 2 179.267 1.271 10 0 ADAELP CCC[NH2+][C@@H](Cn1cc[nH+]c1)C1CC1 68898304 572001016 /nfs/dbraw/zinc/00/10/16/572001016.db2.gz QGKGTJKTMQHIOX-NSHDSACASA-N 2 2 193.294 1.661 10 0 ADAELP CCC[NH2+][C@H](Cn1cc[nH+]c1)C1CC1 68898305 572001033 /nfs/dbraw/zinc/00/10/33/572001033.db2.gz QGKGTJKTMQHIOX-LLVKDONJSA-N 2 2 193.294 1.661 10 0 ADAELP C[NH+](C)CC[NH2+]C1(C)CCCC1 42187293 572008911 /nfs/dbraw/zinc/00/89/11/572008911.db2.gz WAFYMMDKIWKVPW-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CC(C)c1c[nH]c(C[C@@H]2CCC[NH2+]2)[nH+]1 42172541 572008934 /nfs/dbraw/zinc/00/89/34/572008934.db2.gz ZCVSGMMBIIOBNB-VIFPVBQESA-N 2 2 193.294 1.828 10 0 ADAELP CCC(C)(C)[N@H+](C)C[C@@H]([NH3+])C1CC1 68997226 572018536 /nfs/dbraw/zinc/01/85/36/572018536.db2.gz RFACRPCCFKSCPQ-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(C)(C)[N@@H+](C)C[C@@H]([NH3+])C1CC1 68997226 572018539 /nfs/dbraw/zinc/01/85/39/572018539.db2.gz RFACRPCCFKSCPQ-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)Cc1ccoc1C 42450064 572018546 /nfs/dbraw/zinc/01/85/46/572018546.db2.gz WCASLDAHIRXJSH-LLVKDONJSA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)Cc1ccoc1C 42450064 572018549 /nfs/dbraw/zinc/01/85/49/572018549.db2.gz WCASLDAHIRXJSH-LLVKDONJSA-N 2 2 196.294 1.757 10 0 ADAELP CCC(C)(C)[N@H+](C)CC(C)(C)[NH3+] 69015552 572021488 /nfs/dbraw/zinc/02/14/88/572021488.db2.gz YSDXBPZJPVHXNG-UHFFFAOYSA-N 2 2 172.316 1.844 10 0 ADAELP CCC(C)(C)[N@@H+](C)CC(C)(C)[NH3+] 69015552 572021493 /nfs/dbraw/zinc/02/14/93/572021493.db2.gz YSDXBPZJPVHXNG-UHFFFAOYSA-N 2 2 172.316 1.844 10 0 ADAELP CCCC[N@H+](CC[NH2+]C)C1CC1 42491058 572024606 /nfs/dbraw/zinc/02/46/06/572024606.db2.gz YBTRSORKPHCDPC-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CCCC[N@@H+](CC[NH2+]C)C1CC1 42491058 572024608 /nfs/dbraw/zinc/02/46/08/572024608.db2.gz YBTRSORKPHCDPC-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP C/C(=C\CC[NH3+])Cc1ccc[nH+]c1N 86570705 573490513 /nfs/dbraw/zinc/49/05/13/573490513.db2.gz ZSLJHVZDEVOFIH-RUDMXATFSA-N 2 2 191.278 1.501 10 0 ADAELP C1CS[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 257820198 573490514 /nfs/dbraw/zinc/49/05/14/573490514.db2.gz FOJFGPSEGJTAFN-BDAKNGLRSA-N 2 2 186.324 1.039 10 0 ADAELP CCC[C@@H](Cc1[nH]cc[nH+]1)[NH2+]CC 35570080 572026664 /nfs/dbraw/zinc/02/66/64/572026664.db2.gz WVRAXAUKDIRTIU-VIFPVBQESA-N 2 2 181.283 1.730 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)C(C)C 35570078 572026731 /nfs/dbraw/zinc/02/67/31/572026731.db2.gz CLLLHIILPRIFTB-SECBINFHSA-N 2 2 181.283 1.586 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1C[C@@H]1C 35570470 572026760 /nfs/dbraw/zinc/02/67/60/572026760.db2.gz IHUKBVHTBDOXHU-IVZWLZJFSA-N 2 2 193.294 1.586 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)C1CCC1 35570454 572026777 /nfs/dbraw/zinc/02/67/77/572026777.db2.gz TYMYRUOVZIYDKS-SNVBAGLBSA-N 2 2 193.294 1.730 10 0 ADAELP CCC[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503627 572027929 /nfs/dbraw/zinc/02/79/29/572027929.db2.gz GTJNWBSOLSPUAV-MRVPVSSYSA-N 2 2 167.256 1.340 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)C(C)(C)C 35570086 572027946 /nfs/dbraw/zinc/02/79/46/572027946.db2.gz UYGOSGHYGBKJHV-SECBINFHSA-N 2 2 195.310 1.976 10 0 ADAELP CCC[C@H](Cc1[nH]cc[nH+]1)[NH2+]CC 35570082 572028304 /nfs/dbraw/zinc/02/83/04/572028304.db2.gz WVRAXAUKDIRTIU-SECBINFHSA-N 2 2 181.283 1.730 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C(C)C 35570077 572028376 /nfs/dbraw/zinc/02/83/76/572028376.db2.gz CLLLHIILPRIFTB-VIFPVBQESA-N 2 2 181.283 1.586 10 0 ADAELP [NH3+]C/C=C/c1ccc(-n2cc[nH+]c2)cc1 69049724 572029310 /nfs/dbraw/zinc/02/93/10/572029310.db2.gz BJMBMTJKOQVQFZ-OWOJBTEDSA-N 2 2 199.257 1.844 10 0 ADAELP CCCC[NH2+][C@H]1CC[N@H+](C)C1 42544705 572029356 /nfs/dbraw/zinc/02/93/56/572029356.db2.gz TZLPNWKTKXFLSN-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCCC[NH2+][C@H]1CC[N@@H+](C)C1 42544705 572029359 /nfs/dbraw/zinc/02/93/59/572029359.db2.gz TZLPNWKTKXFLSN-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP C[N@@H+](CC(N)=[NH2+])CC1CCCC1 82492453 572041847 /nfs/dbraw/zinc/04/18/47/572041847.db2.gz BSWDLJJUFIDPFC-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP C[N@H+](CC(N)=[NH2+])CC1CCCC1 82492453 572041850 /nfs/dbraw/zinc/04/18/50/572041850.db2.gz BSWDLJJUFIDPFC-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)CC1CCCC1 82492214 572041940 /nfs/dbraw/zinc/04/19/40/572041940.db2.gz CIRMHYROVIILFX-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)CC1CCCC1 82492214 572041943 /nfs/dbraw/zinc/04/19/43/572041943.db2.gz CIRMHYROVIILFX-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](C)[NH3+] 42607215 572042900 /nfs/dbraw/zinc/04/29/00/572042900.db2.gz COSFQCIDGKYCMK-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](C)[NH3+] 42607215 572042903 /nfs/dbraw/zinc/04/29/03/572042903.db2.gz COSFQCIDGKYCMK-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CCCc1cc(N[C@H](C)C[NH3+])nc[nH+]1 82576373 572058515 /nfs/dbraw/zinc/05/85/15/572058515.db2.gz YBTMNCQKVRHTMF-MRVPVSSYSA-N 2 2 194.282 1.188 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CCC[C@@H]1[NH3+] 37094868 572089644 /nfs/dbraw/zinc/08/96/44/572089644.db2.gz JDHBYIMULQXGHL-VHSXEESVSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1[NH3+] 37094868 572089646 /nfs/dbraw/zinc/08/96/46/572089646.db2.gz JDHBYIMULQXGHL-VHSXEESVSA-N 2 2 170.300 1.598 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+](C)C(C)(C)C 258694842 573493874 /nfs/dbraw/zinc/49/38/74/573493874.db2.gz BROLMRYQHVRSPS-UHFFFAOYSA-N 2 2 172.316 1.715 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+](C)C(C)(C)C 258694842 573493880 /nfs/dbraw/zinc/49/38/80/573493880.db2.gz BROLMRYQHVRSPS-UHFFFAOYSA-N 2 2 172.316 1.715 10 0 ADAELP CCc1[nH+]c(C[NH3+])c2c(C)cccn12 107308738 573495140 /nfs/dbraw/zinc/49/51/40/573495140.db2.gz RNHVNUYPPPEJEC-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP CC[C@@H]1C[C@H]1[N@H+]1CC[C@H]([NH2+]C(C)C)C1 300390996 572160922 /nfs/dbraw/zinc/16/09/22/572160922.db2.gz VDCKBJLJJKRFCH-GRYCIOLGSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83044015 572187278 /nfs/dbraw/zinc/18/72/78/572187278.db2.gz QQZFPVDPJJEONA-HBNTYKKESA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83044008 572187423 /nfs/dbraw/zinc/18/74/23/572187423.db2.gz QQZFPVDPJJEONA-MXWKQRLJSA-N 2 2 184.327 1.572 10 0 ADAELP CCCC[N@@H+]1[C@@H](C)CC[NH2+]C[C@H]1C 249855569 572189928 /nfs/dbraw/zinc/18/99/28/572189928.db2.gz LOTVVYWXKRNROL-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1[C@@H](C)CC[NH2+]C[C@H]1C 249855569 572189931 /nfs/dbraw/zinc/18/99/31/572189931.db2.gz LOTVVYWXKRNROL-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+][C@H](C)CF)C1 308399307 573499166 /nfs/dbraw/zinc/49/91/66/573499166.db2.gz GGKJNEDEUQVZCZ-AEJSXWLSSA-N 2 2 188.290 1.274 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+][C@H](C)CF)C1 308399307 573499171 /nfs/dbraw/zinc/49/91/71/573499171.db2.gz GGKJNEDEUQVZCZ-AEJSXWLSSA-N 2 2 188.290 1.274 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@@H](n2cc[nH+]c2)C1 86600579 573506045 /nfs/dbraw/zinc/50/60/45/573506045.db2.gz VUOKWOIECIFXDK-GHMZBOCLSA-N 2 2 193.294 1.976 10 0 ADAELP CCCCn1c[nH+]c(CC[NH2+]CC)c1 87016778 572346802 /nfs/dbraw/zinc/34/68/02/572346802.db2.gz RBSZVQVGSVEYTB-UHFFFAOYSA-N 2 2 195.310 1.835 10 0 ADAELP CC[C@@H](C)Cn1c[nH+]c(CC[NH2+]C)c1 87016677 572346816 /nfs/dbraw/zinc/34/68/16/572346816.db2.gz OSLBRHGYDDKANJ-SNVBAGLBSA-N 2 2 195.310 1.691 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C2([NH3+])CC2)c(C)c1 259479163 573506245 /nfs/dbraw/zinc/50/62/45/573506245.db2.gz PPYXZLLZLQWYAN-LLVKDONJSA-N 2 2 190.290 1.795 10 0 ADAELP CC(C)[NH2+][C@@H]1CCCC[N@H+](C)C1 76598299 572379632 /nfs/dbraw/zinc/37/96/32/572379632.db2.gz PKFMEEXUAPEQCD-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)[NH2+][C@@H]1CCCC[N@@H+](C)C1 76598299 572379634 /nfs/dbraw/zinc/37/96/34/572379634.db2.gz PKFMEEXUAPEQCD-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@H+](CC[NH3+])Cc1ccc(O)cc1 87177957 572387307 /nfs/dbraw/zinc/38/73/07/572387307.db2.gz GOXXOOCRKDOQDI-UHFFFAOYSA-N 2 2 194.278 1.173 10 0 ADAELP CC[N@@H+](CC[NH3+])Cc1ccc(O)cc1 87177957 572387309 /nfs/dbraw/zinc/38/73/09/572387309.db2.gz GOXXOOCRKDOQDI-UHFFFAOYSA-N 2 2 194.278 1.173 10 0 ADAELP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(O)cc1 87183462 572388935 /nfs/dbraw/zinc/38/89/35/572388935.db2.gz POZINIQTPYLWIM-SECBINFHSA-N 2 2 194.278 1.171 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])[NH2+]CC(C)C)o1 83761535 572401615 /nfs/dbraw/zinc/40/16/15/572401615.db2.gz MSZIMUPMZXGOKS-SNVBAGLBSA-N 2 2 196.294 1.833 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(O)cc1 257824002 573511992 /nfs/dbraw/zinc/51/19/92/573511992.db2.gz GOIQBSIVHQWEHJ-SNVBAGLBSA-N 2 2 180.251 1.002 10 0 ADAELP CC[N@@H+]1CCC[C@H]1C[NH2+]CC1CCC1 83838307 572437290 /nfs/dbraw/zinc/43/72/90/572437290.db2.gz CIYQRFBIMZKNEB-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@H+]1CCC[C@H]1C[NH2+]CC1CCC1 83838307 572437293 /nfs/dbraw/zinc/43/72/93/572437293.db2.gz CIYQRFBIMZKNEB-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[NH2+]CC[N@H+](CC)C1CC1 88393594 572437336 /nfs/dbraw/zinc/43/73/36/572437336.db2.gz UKCUCKNOMHQJAV-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC[NH2+]CC[N@@H+](CC)C1CC1 88393594 572437337 /nfs/dbraw/zinc/43/73/37/572437337.db2.gz UKCUCKNOMHQJAV-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+]CCC2CC2)C1 83893303 572438096 /nfs/dbraw/zinc/43/80/96/572438096.db2.gz NLNCRVIVJHNXOW-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+]CCC2CC2)C1 83893303 572438100 /nfs/dbraw/zinc/43/81/00/572438100.db2.gz NLNCRVIVJHNXOW-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP C(CC1CC1)[NH2+][C@H]1C[NH+]2CCC1CC2 83893557 572441250 /nfs/dbraw/zinc/44/12/50/572441250.db2.gz VCOZUXHUMQZGBA-LBPRGKRZSA-N 2 2 194.322 1.470 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(C)C 84125769 572505491 /nfs/dbraw/zinc/50/54/91/572505491.db2.gz LMDSNHBUINKQDX-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C(C)C 84125769 572505495 /nfs/dbraw/zinc/50/54/95/572505495.db2.gz LMDSNHBUINKQDX-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1[nH]c(C2CCC(C[NH3+])CC2)c[nH+]1 74247460 572497377 /nfs/dbraw/zinc/49/73/77/572497377.db2.gz NDLJWENGFNJHKS-UHFFFAOYSA-N 2 2 193.294 1.951 10 0 ADAELP [NH3+]C[NH2+]CCc1c[nH]c2ccccc12 258721746 573512563 /nfs/dbraw/zinc/51/25/63/573512563.db2.gz UHDOMPSOKYIEKL-UHFFFAOYSA-N 2 2 189.262 1.216 10 0 ADAELP C[N@@H+]1C[C@H]([NH3+])C[C@@H](c2ccco2)C1 250613687 572498180 /nfs/dbraw/zinc/49/81/80/572498180.db2.gz NJPITFZGUYOCFM-RKDXNWHRSA-N 2 2 180.251 1.026 10 0 ADAELP C[N@H+]1C[C@H]([NH3+])C[C@@H](c2ccco2)C1 250613687 572498182 /nfs/dbraw/zinc/49/81/82/572498182.db2.gz NJPITFZGUYOCFM-RKDXNWHRSA-N 2 2 180.251 1.026 10 0 ADAELP C[N@@H+]1CCCCC[C@@H]1[C@@H]([NH3+])C1CC1 250638783 572504721 /nfs/dbraw/zinc/50/47/21/572504721.db2.gz SPECIIGAVIEHDG-MNOVXSKESA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+]1CCCCC[C@@H]1[C@@H]([NH3+])C1CC1 250638783 572504724 /nfs/dbraw/zinc/50/47/24/572504724.db2.gz SPECIIGAVIEHDG-MNOVXSKESA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+]CC[N@@H+]1CCC[C@H]1C(C)C 84125857 572504726 /nfs/dbraw/zinc/50/47/26/572504726.db2.gz AWAUMRXXYSEMHG-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+]CC[N@H+]1CCC[C@H]1C(C)C 84125857 572504728 /nfs/dbraw/zinc/50/47/28/572504728.db2.gz AWAUMRXXYSEMHG-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+]CC[N@@H+]1CCC[C@@H]1C(C)C 84125859 572504835 /nfs/dbraw/zinc/50/48/35/572504835.db2.gz AWAUMRXXYSEMHG-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+]CC[N@H+]1CCC[C@@H]1C(C)C 84125859 572504836 /nfs/dbraw/zinc/50/48/36/572504836.db2.gz AWAUMRXXYSEMHG-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[C@H]([NH3+])c1nccc2[nH+]ccn12 74273991 572532756 /nfs/dbraw/zinc/53/27/56/572532756.db2.gz HGARNYWKPAWTCH-QMMMGPOBSA-N 2 2 190.250 1.529 10 0 ADAELP CC[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[NH+](C)C 308396598 573514049 /nfs/dbraw/zinc/51/40/49/573514049.db2.gz DOVMJWJPCPRKFI-GARJFASQSA-N 2 2 184.327 1.572 10 0 ADAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCC2)C1 308605587 573518797 /nfs/dbraw/zinc/51/87/97/573518797.db2.gz PNQGWVONQGLGCE-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CCC2)C1 308605587 573518805 /nfs/dbraw/zinc/51/88/05/573518805.db2.gz PNQGWVONQGLGCE-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C[N@H+]1C[C@H](C(C)C)C[C@@H]([NH3+])C1 250542811 572615653 /nfs/dbraw/zinc/61/56/53/572615653.db2.gz BWJVUHWXPLDBNU-VXGBXAGGSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)C[N@@H+]1C[C@H](C(C)C)C[C@@H]([NH3+])C1 250542811 572615654 /nfs/dbraw/zinc/61/56/54/572615654.db2.gz BWJVUHWXPLDBNU-VXGBXAGGSA-N 2 2 198.354 1.948 10 0 ADAELP CC[C@H]([NH3+])c1c[nH+]cc2cc[nH]c12 713731264 572662554 /nfs/dbraw/zinc/66/25/54/572662554.db2.gz XGNQLHNHHDJFSW-VIFPVBQESA-N 2 2 175.235 1.973 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccccc1C 259490224 573531581 /nfs/dbraw/zinc/53/15/81/573531581.db2.gz SWJMQYXKIMMCKX-LLVKDONJSA-N 2 2 178.279 1.604 10 0 ADAELP C[NH2+]CC[C@@H]([NH3+])c1ccc(C)o1 259493107 573531600 /nfs/dbraw/zinc/53/16/00/573531600.db2.gz TWEFNSOUFJVZEG-MRVPVSSYSA-N 2 2 168.240 1.197 10 0 ADAELP C[C@@H]1C[NH2+][C@](C)([C@@H]2CCCC[NH2+]2)OC1 258756370 573531616 /nfs/dbraw/zinc/53/16/16/573531616.db2.gz WPDCADPGOBSDSD-VWYCJHECSA-N 2 2 198.310 1.101 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccc(F)c(C)c1 259494609 573535757 /nfs/dbraw/zinc/53/57/57/573535757.db2.gz UAQWJXUPHUATLY-NSHDSACASA-N 2 2 196.269 1.743 10 0 ADAELP Cc1ccsc1[C@@H]([NH3+])C[NH2+]C1CC1 259493163 573535775 /nfs/dbraw/zinc/53/57/75/573535775.db2.gz TWQWPGIXBIAWQG-VIFPVBQESA-N 2 2 196.319 1.808 10 0 ADAELP [NH3+]C[C@@H]1C2CC(C2)C[N@@H+]1C1CCC1 257829062 573536520 /nfs/dbraw/zinc/53/65/20/573536520.db2.gz IQYZNNVHHVEYAJ-NWGYLPEXSA-N 2 2 180.295 1.208 10 0 ADAELP [NH3+]C[C@@H]1C2CC(C2)C[N@H+]1C1CCC1 257829062 573536526 /nfs/dbraw/zinc/53/65/26/573536526.db2.gz IQYZNNVHHVEYAJ-NWGYLPEXSA-N 2 2 180.295 1.208 10 0 ADAELP C[N@@H+]1CCc2ccccc2C[C@H]1C[NH3+] 107352042 573541630 /nfs/dbraw/zinc/54/16/30/573541630.db2.gz ZFEAITFDKLXGQV-LBPRGKRZSA-N 2 2 190.290 1.044 10 0 ADAELP C[N@H+]1CCc2ccccc2C[C@H]1C[NH3+] 107352042 573541636 /nfs/dbraw/zinc/54/16/36/573541636.db2.gz ZFEAITFDKLXGQV-LBPRGKRZSA-N 2 2 190.290 1.044 10 0 ADAELP C[NH+](C)[C@@H](c1ccccc1)C1([NH3+])CC1 107351861 573541730 /nfs/dbraw/zinc/54/17/30/573541730.db2.gz XMNGLPXDCUUWFY-NSHDSACASA-N 2 2 190.290 1.781 10 0 ADAELP C[NH+](C)[C@H](c1ccccc1)C1([NH3+])CC1 107351865 573541765 /nfs/dbraw/zinc/54/17/65/573541765.db2.gz XMNGLPXDCUUWFY-LLVKDONJSA-N 2 2 190.290 1.781 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1[C@@H]1CCC[NH2+]C1 257825285 573545550 /nfs/dbraw/zinc/54/55/50/573545550.db2.gz HDGDMMAKDIXBPY-SECBINFHSA-N 2 2 191.278 1.754 10 0 ADAELP CC(C)=CC[N@@H+](C)[C@H]1CC[NH2+]C1 70895134 572751715 /nfs/dbraw/zinc/75/17/15/572751715.db2.gz COWRYNOSESOWOW-JTQLQIEISA-N 2 2 168.284 1.246 10 0 ADAELP CC(C)=CC[N@H+](C)[C@H]1CC[NH2+]C1 70895134 572751718 /nfs/dbraw/zinc/75/17/18/572751718.db2.gz COWRYNOSESOWOW-JTQLQIEISA-N 2 2 168.284 1.246 10 0 ADAELP CC(C)[C@@H](C)[NH2+]C(C)(C)C[NH+](C)C 308611554 573545983 /nfs/dbraw/zinc/54/59/83/573545983.db2.gz AZKOOHRGBZEQER-SNVBAGLBSA-N 2 2 186.343 1.961 10 0 ADAELP [NH3+][C@@H](c1cc(F)ccc1F)C1([NH3+])CC1 259505762 573554657 /nfs/dbraw/zinc/55/46/57/573554657.db2.gz RFQBVJSOLPYXAF-VIFPVBQESA-N 2 2 198.216 1.456 10 0 ADAELP [NH3+][C@H](c1cc(F)ccc1F)C1([NH3+])CC1 259505759 573556948 /nfs/dbraw/zinc/55/69/48/573556948.db2.gz RFQBVJSOLPYXAF-SECBINFHSA-N 2 2 198.216 1.456 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[NH2+]C1 86679240 573556966 /nfs/dbraw/zinc/55/69/66/573556966.db2.gz DZGCVCQWKXSLFI-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@@H]1CCCC[NH2+]C1 86679240 573556971 /nfs/dbraw/zinc/55/69/71/573556971.db2.gz DZGCVCQWKXSLFI-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C1CC[C@@H]([NH+]2CC3(CC3)C2)C[NH2+]C1 86679271 573557126 /nfs/dbraw/zinc/55/71/26/573557126.db2.gz ROFQFGMWTWJUEP-SNVBAGLBSA-N 2 2 180.295 1.224 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1CC2(CCC2)C1 86678975 573557148 /nfs/dbraw/zinc/55/71/48/573557148.db2.gz JEOJFZFBJTYHPE-SECBINFHSA-N 2 2 168.284 1.210 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86678828 573557190 /nfs/dbraw/zinc/55/71/90/573557190.db2.gz YRVBLIQUCQFYRE-SECBINFHSA-N 2 2 168.284 1.210 10 0 ADAELP CC[C@H](C[NH3+])[NH+]1CC2(CCCCC2)C1 86679647 573557230 /nfs/dbraw/zinc/55/72/30/573557230.db2.gz HPFFKPYDVCQLDY-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP CC[C@@H](C[NH3+])[NH+]1CC2(CCCCC2)C1 86679645 573557260 /nfs/dbraw/zinc/55/72/60/573557260.db2.gz HPFFKPYDVCQLDY-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP CC(C)[C@H](C[NH3+])[NH+]1CC2(CC2)C1 86679796 573559499 /nfs/dbraw/zinc/55/94/99/573559499.db2.gz ILBKLSCMPGKISE-VIFPVBQESA-N 2 2 168.284 1.066 10 0 ADAELP C1C[NH2+]C[C@H]([NH+]2CC3(CCC3)C2)C1 86678669 573559593 /nfs/dbraw/zinc/55/95/93/573559593.db2.gz MVGQVDXNWCTFSY-SNVBAGLBSA-N 2 2 180.295 1.224 10 0 ADAELP CC1(C)C[NH+]([C@H](C[NH3+])C2CC2)C1 86679613 573559683 /nfs/dbraw/zinc/55/96/83/573559683.db2.gz IKLVGCNCUPNPMB-SECBINFHSA-N 2 2 168.284 1.066 10 0 ADAELP CCCC1C[NH+]([C@@H]2CCCC[NH2+]C2)C1 86679225 573559781 /nfs/dbraw/zinc/55/97/81/573559781.db2.gz GGZCLCXQDVFJJZ-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C1CC[C@H]([NH+]2CC3(CCC3)C2)C[NH2+]C1 86679259 573559892 /nfs/dbraw/zinc/55/98/92/573559892.db2.gz JRIKEVNLTISJOH-NSHDSACASA-N 2 2 194.322 1.614 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH+]1CC2(CCC2)C1 86679334 573559904 /nfs/dbraw/zinc/55/99/04/573559904.db2.gz UMZNNOMGQQCKMV-JTQLQIEISA-N 2 2 182.311 1.456 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86678961 573559913 /nfs/dbraw/zinc/55/99/13/573559913.db2.gz DFMQDVLWCPPTSR-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP C[C@@H](C[NH3+])[NH+]1CC2(CCCCC2)C1 86678896 573559926 /nfs/dbraw/zinc/55/99/26/573559926.db2.gz LOKIGCYFEOHLFQ-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP C[C@@H](C[NH3+])[NH+]1CC(c2ccccc2)C1 86678911 573561098 /nfs/dbraw/zinc/56/10/98/573561098.db2.gz BOZJCENHIVBXIL-JTQLQIEISA-N 2 2 190.290 1.433 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CCC1)c1ccccc1 257830714 573561109 /nfs/dbraw/zinc/56/11/09/573561109.db2.gz JDLKPDIZOIJUIH-GFCCVEGCSA-N 2 2 190.290 1.829 10 0 ADAELP CCC1(CC)C[NH+]([C@H]2CCC[NH2+]C2)C1 86678650 573561112 /nfs/dbraw/zinc/56/11/12/573561112.db2.gz JJYNVSBZZZWXHL-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C1CC[C@H]([NH+]2CC3(CC3)C2)C[NH2+]C1 86679272 573561137 /nfs/dbraw/zinc/56/11/37/573561137.db2.gz ROFQFGMWTWJUEP-JTQLQIEISA-N 2 2 180.295 1.224 10 0 ADAELP C1C[NH2+]C[C@@H]([NH+]2CC3(CCC3)C2)C1 86678667 573561154 /nfs/dbraw/zinc/56/11/54/573561154.db2.gz MVGQVDXNWCTFSY-JTQLQIEISA-N 2 2 180.295 1.224 10 0 ADAELP C[C@H]1CC[N@@H+](CC2CCCC2)CC[NH2+]1 49661947 572793008 /nfs/dbraw/zinc/79/30/08/572793008.db2.gz OGGKPRLTRSWZNN-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)(C)C1C[NH+]([C@H]2CCC[NH2+]C2)C1 86678672 573561248 /nfs/dbraw/zinc/56/12/48/573561248.db2.gz RDBHAZXQNWKKLO-NSHDSACASA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 85748826 572795289 /nfs/dbraw/zinc/79/52/89/572795289.db2.gz UVHCOZFLSYYLAV-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CCC(C)(C)[N@@H+]1CC[NH2+][C@H](C)CC1 49661569 572795348 /nfs/dbraw/zinc/79/53/48/572795348.db2.gz CXBUPPXUTQUVPP-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@H+]1CC[NH2+][C@H](C)CC1 49661569 572795351 /nfs/dbraw/zinc/79/53/51/572795351.db2.gz CXBUPPXUTQUVPP-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[C@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49662391 572795425 /nfs/dbraw/zinc/79/54/25/572795425.db2.gz BLYGHJHKQUCNSB-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 49662391 572795429 /nfs/dbraw/zinc/79/54/29/572795429.db2.gz BLYGHJHKQUCNSB-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)([C@H](C)[NH2+]C)[NH+](C)C 85750803 572796389 /nfs/dbraw/zinc/79/63/89/572796389.db2.gz ODDJNYIFEWNSBX-VIFPVBQESA-N 2 2 172.316 1.715 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(C)c(C)c1 259508806 573561675 /nfs/dbraw/zinc/56/16/75/573561675.db2.gz UZJUANHNPCGSDC-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP CC(C)[C@H]([NH3+])C[NH+]1CC2(CC2)C1 86679347 573561735 /nfs/dbraw/zinc/56/17/35/573561735.db2.gz TZASCSNNBBQFBD-SECBINFHSA-N 2 2 168.284 1.066 10 0 ADAELP CC(C)CC[N@H+]1CCC[NH2+]C[C@@H]1C 71499592 572835794 /nfs/dbraw/zinc/83/57/94/572835794.db2.gz RUSVLBKKLVNLEP-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86678826 573562836 /nfs/dbraw/zinc/56/28/36/573562836.db2.gz YRVBLIQUCQFYRE-VIFPVBQESA-N 2 2 168.284 1.210 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 308622932 573562891 /nfs/dbraw/zinc/56/28/91/573562891.db2.gz UTVCYEPTECBSCY-RYUDHWBXSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CC1 308622932 573562895 /nfs/dbraw/zinc/56/28/95/573562895.db2.gz UTVCYEPTECBSCY-RYUDHWBXSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)CCOC(C)C 87976374 572844553 /nfs/dbraw/zinc/84/45/53/572844553.db2.gz SAQSUBUOYYQMHI-SNVBAGLBSA-N 2 2 188.315 1.081 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)CCOC(C)C 87976374 572844558 /nfs/dbraw/zinc/84/45/58/572844558.db2.gz SAQSUBUOYYQMHI-SNVBAGLBSA-N 2 2 188.315 1.081 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1CC2(CCC2)C1 86678973 573562992 /nfs/dbraw/zinc/56/29/92/573562992.db2.gz JEOJFZFBJTYHPE-VIFPVBQESA-N 2 2 168.284 1.210 10 0 ADAELP CCC[C@@H](C[NH3+])[N@H+](C)CCOCC 87976415 572844939 /nfs/dbraw/zinc/84/49/39/572844939.db2.gz USGLZPCMMDYAIN-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CCC[C@@H](C[NH3+])[N@@H+](C)CCOCC 87976415 572844942 /nfs/dbraw/zinc/84/49/42/572844942.db2.gz USGLZPCMMDYAIN-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CCC[C@@H]([NH3+])C[N@H+](C)CCOCC 87977002 572844991 /nfs/dbraw/zinc/84/49/91/572844991.db2.gz SJXCZVSZFWBVDG-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCC[C@@H]([NH3+])C[N@@H+](C)CCOCC 87977002 572844993 /nfs/dbraw/zinc/84/49/93/572844993.db2.gz SJXCZVSZFWBVDG-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP C1C[NH2+]C[C@H]([NH+]2CC3(CCCC3)C2)C1 86678656 573563775 /nfs/dbraw/zinc/56/37/75/573563775.db2.gz YAYFNYHYBSQOBE-LLVKDONJSA-N 2 2 194.322 1.614 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1CC(c2ccccc2)C1 86678849 573563784 /nfs/dbraw/zinc/56/37/84/573563784.db2.gz VVYFXSACXKPUDQ-SNVBAGLBSA-N 2 2 190.290 1.433 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012404 572856992 /nfs/dbraw/zinc/85/69/92/572856992.db2.gz DKXDEEPIJHFBEW-AXFHLTTASA-N 2 2 184.327 1.572 10 0 ADAELP CC[NH+](CC)Cc1cccc(NN)[nH+]1 86116350 572868573 /nfs/dbraw/zinc/86/85/73/572868573.db2.gz QIYMPNSJDODWGM-UHFFFAOYSA-N 2 2 194.282 1.209 10 0 ADAELP CCn1c[nH+]cc1/C=C(/C[NH3+])C(C)C 86213590 572892150 /nfs/dbraw/zinc/89/21/50/572892150.db2.gz CSYZBBAZNYFUBO-YHYXMXQVSA-N 2 2 193.294 1.901 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCc2c[nH+]ccc21 107400976 573568275 /nfs/dbraw/zinc/56/82/75/573568275.db2.gz HUWSWIZEFAFHIC-APPZFPTMSA-N 2 2 162.236 1.459 10 0 ADAELP [NH3+]CC[C@H]1CCc2c[nH+]ccc21 107400949 573568314 /nfs/dbraw/zinc/56/83/14/573568314.db2.gz VTFRPHMXEGDMOD-MRVPVSSYSA-N 2 2 162.236 1.460 10 0 ADAELP CCn1c[nH+]cc1/C=C/C[NH2+]C 86227671 572892070 /nfs/dbraw/zinc/89/20/70/572892070.db2.gz WPZOUWMEKQYMKU-SNAWJCMRSA-N 2 2 165.240 1.136 10 0 ADAELP CC[C@H](C)CC[NH2+][C@@H]1CC[N@H+](C)C1 308179420 572903648 /nfs/dbraw/zinc/90/36/48/572903648.db2.gz BZOSRASZMIVPID-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C1 308179420 572903650 /nfs/dbraw/zinc/90/36/50/572903650.db2.gz BZOSRASZMIVPID-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)CC[NH2+][C@H]1CC[N@H+](C)C1 308179419 572903872 /nfs/dbraw/zinc/90/38/72/572903872.db2.gz BZOSRASZMIVPID-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C1 308179419 572903874 /nfs/dbraw/zinc/90/38/74/572903874.db2.gz BZOSRASZMIVPID-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@@H](C)[C@H](C)n1cc[nH+]c1 86312943 572913531 /nfs/dbraw/zinc/91/35/31/572913531.db2.gz FIUTYQCQJPTYMR-BDAKNGLRSA-N 2 2 167.256 1.300 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccccc1OC 259513285 573572900 /nfs/dbraw/zinc/57/29/00/573572900.db2.gz VJBTYUITUJGEEG-JTQLQIEISA-N 2 2 194.278 1.305 10 0 ADAELP C[NH2+][C@@H](c1cccs1)[C@@H]1CCC[NH2+]1 259513620 573573083 /nfs/dbraw/zinc/57/30/83/573573083.db2.gz SXOABYSXMIERKA-WCBMZHEXSA-N 2 2 196.319 1.761 10 0 ADAELP C[NH2+]C[NH2+]CC(C)(C)c1cccs1 258795527 573574899 /nfs/dbraw/zinc/57/48/99/573574899.db2.gz CZBWXQUARQZIFB-UHFFFAOYSA-N 2 2 198.335 1.792 10 0 ADAELP CC[NH2+][C@H]1CC[N@H+](CCCCF)C1 308196285 572937740 /nfs/dbraw/zinc/93/77/40/572937740.db2.gz MUPAFQWWNSHUSG-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP CC[NH2+][C@H]1CC[N@@H+](CCCCF)C1 308196285 572937743 /nfs/dbraw/zinc/93/77/43/572937743.db2.gz MUPAFQWWNSHUSG-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP CC[C@@H](C)C[N@H+](CC)[C@@H](C)C[NH2+]C 86438975 572940012 /nfs/dbraw/zinc/94/00/12/572940012.db2.gz KCDYXZWOJQBSFF-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCC(F)F 688714500 572941381 /nfs/dbraw/zinc/94/13/81/572941381.db2.gz ADVIIKMLFFIUNF-SFYZADRCSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCC(F)F 688714500 572941384 /nfs/dbraw/zinc/94/13/84/572941384.db2.gz ADVIIKMLFFIUNF-SFYZADRCSA-N 2 2 192.253 1.453 10 0 ADAELP Cc1ccc2c(c1)[C@H](C[NH3+])[NH2+]CC2 257832924 573576905 /nfs/dbraw/zinc/57/69/05/573576905.db2.gz KDMBPGUDVVNZJU-NSHDSACASA-N 2 2 176.263 1.141 10 0 ADAELP CC[NH2+]CC/C=C/c1ccc[nH+]c1N 86571433 572957129 /nfs/dbraw/zinc/95/71/29/572957129.db2.gz IYBUHIANBKIURK-ZZXKWVIFSA-N 2 2 191.278 1.677 10 0 ADAELP CCC[NH2+][C@@H]1CC[C@@H](n2cc[nH+]c2)C1 86619820 572965797 /nfs/dbraw/zinc/96/57/97/572965797.db2.gz RYSKLPLTHMYRDB-GHMZBOCLSA-N 2 2 193.294 1.976 10 0 ADAELP CCN(c1cc[nH+]cc1C[NH3+])C(C)C 88114921 572967828 /nfs/dbraw/zinc/96/78/28/572967828.db2.gz VMTALURKMKMMTI-UHFFFAOYSA-N 2 2 193.294 1.775 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@H]2CC[NH2+]C2)o1 259115363 573585738 /nfs/dbraw/zinc/58/57/38/573585738.db2.gz BRQSHCFZQKMNND-WPRPVWTQSA-N 2 2 180.251 1.197 10 0 ADAELP CCCCN(C)c1cc[nH+]cc1C[NH3+] 88114732 572968042 /nfs/dbraw/zinc/96/80/42/572968042.db2.gz PMFVLXHNMFOJDA-UHFFFAOYSA-N 2 2 193.294 1.777 10 0 ADAELP CCCN(C)c1cc[nH+]cc1C[NH2+]C 88114847 572968049 /nfs/dbraw/zinc/96/80/49/572968049.db2.gz FWWGWPLHWQQVEB-UHFFFAOYSA-N 2 2 193.294 1.647 10 0 ADAELP CCN(CC)c1cc[nH+]cc1C[NH2+]C 88114648 572968080 /nfs/dbraw/zinc/96/80/80/572968080.db2.gz GMKJUFOBLWTDEV-UHFFFAOYSA-N 2 2 193.294 1.647 10 0 ADAELP C[NH2+]Cc1c[nH+]ccc1N(C)C(C)C 88114744 572968119 /nfs/dbraw/zinc/96/81/19/572968119.db2.gz OKMJCRQNZYERSD-UHFFFAOYSA-N 2 2 193.294 1.646 10 0 ADAELP CCc1[nH]c(C)c([C@@H]2CCC[NH2+]C2)[nH+]1 257833090 573585702 /nfs/dbraw/zinc/58/57/02/573585702.db2.gz KAFYKTPFFBQGCG-SECBINFHSA-N 2 2 193.294 1.748 10 0 ADAELP [NH3+]CCC[C@@H]1Cc2cc(O)ccc2[NH2+]1 257919703 572999961 /nfs/dbraw/zinc/99/99/61/572999961.db2.gz BWQLXNJHFXGIRY-SECBINFHSA-N 2 2 192.262 1.468 10 0 ADAELP [NH3+][C@@H]1CCc2[nH+]c3ccccc3n2C1 257918302 573000294 /nfs/dbraw/zinc/00/02/94/573000294.db2.gz RCFJKHFXUWQHTQ-MRVPVSSYSA-N 2 2 187.246 1.310 10 0 ADAELP CC1(c2[nH]c(CC[NH3+])c[nH+]2)CCC1 259598875 573010647 /nfs/dbraw/zinc/01/06/47/573010647.db2.gz CZFPFZGOUWNXIE-UHFFFAOYSA-N 2 2 179.267 1.353 10 0 ADAELP CCn1cc[nH+]c1C(C)(C)C[NH3+] 87934650 573014207 /nfs/dbraw/zinc/01/42/07/573014207.db2.gz SIGQBOTVHZCORM-UHFFFAOYSA-N 2 2 167.256 1.139 10 0 ADAELP CC(C)OC[N@@H+]1CCC[C@H](C[NH3+])C1 308223280 573015451 /nfs/dbraw/zinc/01/54/51/573015451.db2.gz PHYVPPAPQGJYFX-SNVBAGLBSA-N 2 2 186.299 1.040 10 0 ADAELP CC(C)OC[N@H+]1CCC[C@H](C[NH3+])C1 308223280 573015461 /nfs/dbraw/zinc/01/54/61/573015461.db2.gz PHYVPPAPQGJYFX-SNVBAGLBSA-N 2 2 186.299 1.040 10 0 ADAELP COc1cc[nH+]cc1/C(C)=C/CC[NH3+] 308477737 573024937 /nfs/dbraw/zinc/02/49/37/573024937.db2.gz LBBIEVQPHVUQPS-RUDMXATFSA-N 2 2 192.262 1.842 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439283 573023616 /nfs/dbraw/zinc/02/36/16/573023616.db2.gz QXCWRYOLFNORBS-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439283 573023619 /nfs/dbraw/zinc/02/36/19/573023619.db2.gz QXCWRYOLFNORBS-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439363 573024620 /nfs/dbraw/zinc/02/46/20/573024620.db2.gz UMCPASVSPZNCNT-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439363 573024628 /nfs/dbraw/zinc/02/46/28/573024628.db2.gz UMCPASVSPZNCNT-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP COc1cc[nH+]cc1/C(C)=C\CC[NH3+] 308477738 573024677 /nfs/dbraw/zinc/02/46/77/573024677.db2.gz LBBIEVQPHVUQPS-WTKPLQERSA-N 2 2 192.262 1.842 10 0 ADAELP CC(C)C[N@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439275 573024731 /nfs/dbraw/zinc/02/47/31/573024731.db2.gz QVBKMVZRNZQUPB-QWRGUYRKSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)C[N@@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439275 573024735 /nfs/dbraw/zinc/02/47/35/573024735.db2.gz QVBKMVZRNZQUPB-QWRGUYRKSA-N 2 2 184.327 1.572 10 0 ADAELP Cc1cc[nH+]cc1[C@H]1CC[C@@H]1C[NH3+] 87941971 573024868 /nfs/dbraw/zinc/02/48/68/573024868.db2.gz OOPOSXIRCDHNSQ-ZJUUUORDSA-N 2 2 176.263 1.842 10 0 ADAELP CC1(C)CCC[N@@H+]([C@@H]2CC[NH2+]C2)CC1 83680590 573591407 /nfs/dbraw/zinc/59/14/07/573591407.db2.gz TZEQFXOQNQQEND-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CCC[N@H+]([C@@H]2CC[NH2+]C2)CC1 83680590 573591412 /nfs/dbraw/zinc/59/14/12/573591412.db2.gz TZEQFXOQNQQEND-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1CC[C@H]1C[NH3+] 87941973 573025014 /nfs/dbraw/zinc/02/50/14/573025014.db2.gz OOPOSXIRCDHNSQ-VHSXEESVSA-N 2 2 176.263 1.842 10 0 ADAELP CC(C)C[N@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439279 573025087 /nfs/dbraw/zinc/02/50/87/573025087.db2.gz QVBKMVZRNZQUPB-WDEREUQCSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)C[N@@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439279 573025093 /nfs/dbraw/zinc/02/50/93/573025093.db2.gz QVBKMVZRNZQUPB-WDEREUQCSA-N 2 2 184.327 1.572 10 0 ADAELP C[C@H]1CCCC[N@H+]1[C@@H]1C[NH2+]CC[C@H]1C 85439140 573025121 /nfs/dbraw/zinc/02/51/21/573025121.db2.gz KYWKKYUEOFYGOD-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCCC[N@@H+]1[C@@H]1C[NH2+]CC[C@H]1C 85439140 573025126 /nfs/dbraw/zinc/02/51/26/573025126.db2.gz KYWKKYUEOFYGOD-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[NH+]1CCCC1 85439117 573025175 /nfs/dbraw/zinc/02/51/75/573025175.db2.gz CJQPLHUWYCBJCS-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP CCc1c(F)cccc1[C@@H]([NH3+])C[NH3+] 104576052 573027354 /nfs/dbraw/zinc/02/73/54/573027354.db2.gz PAFFRIKWYWMICM-JTQLQIEISA-N 2 2 182.242 1.347 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@H+](C)C1CCCC1 85439257 573027514 /nfs/dbraw/zinc/02/75/14/573027514.db2.gz CGWUQWWIULAMHP-ZYHUDNBSSA-N 2 2 196.338 1.859 10 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85442717 573029997 /nfs/dbraw/zinc/02/99/97/573029997.db2.gz CZTWXROQFYZQTO-VIFPVBQESA-N 2 2 164.252 1.670 10 0 ADAELP CCCC[N@@H+]1CC[NH2+]C(C)(C)CC1 259313412 573030045 /nfs/dbraw/zinc/03/00/45/573030045.db2.gz QLTHTEFBRGNUDW-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[N@H+]1CC[NH2+]C(C)(C)CC1 259313412 573030048 /nfs/dbraw/zinc/03/00/48/573030048.db2.gz QLTHTEFBRGNUDW-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[NH+](CCC)[C@@H]1CC[NH2+][C@@H]1C 308230725 573030118 /nfs/dbraw/zinc/03/01/18/573030118.db2.gz SQVOMCJWXWNGNI-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP Cc1oc(C[NH3+])nc1[C@H]1CCCC[NH2+]1 258229969 573030139 /nfs/dbraw/zinc/03/01/39/573030139.db2.gz ZJUXEACNCJDEGR-MRVPVSSYSA-N 2 2 195.266 1.256 10 0 ADAELP CCc1cc(F)ccc1[C@@H]([NH3+])C[NH3+] 104581607 573035294 /nfs/dbraw/zinc/03/52/94/573035294.db2.gz OBPKZKUFFWMUGN-JTQLQIEISA-N 2 2 182.242 1.347 10 0 ADAELP CC(C)C(C)(C)C(C)([NH3+])[NH3+] 104593253 573051860 /nfs/dbraw/zinc/05/18/60/573051860.db2.gz SKBMNVPSFFXTJH-UHFFFAOYSA-N 2 2 144.262 1.302 10 0 ADAELP CCC[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C 308238569 573050869 /nfs/dbraw/zinc/05/08/69/573050869.db2.gz RSCILXREJBRQTC-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@](C)(C[NH3+])[NH2+]Cc1ocnc1C 308487380 573051356 /nfs/dbraw/zinc/05/13/56/573051356.db2.gz PJVHCNHHQUUPQR-JTQLQIEISA-N 2 2 197.282 1.200 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1CC1([NH3+])CCC1 88052280 573058431 /nfs/dbraw/zinc/05/84/31/573058431.db2.gz UKQPLSJNTCOQGE-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1CC1([NH3+])CCC1 88052280 573058436 /nfs/dbraw/zinc/05/84/36/573058436.db2.gz UKQPLSJNTCOQGE-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP Cc1cccc([C@@H]([NH3+])C2([NH3+])CC2)c1 259320963 573058437 /nfs/dbraw/zinc/05/84/37/573058437.db2.gz ISVPOCOKEJEXPZ-SNVBAGLBSA-N 2 2 176.263 1.486 10 0 ADAELP C[C@H]1CC[C@H](C)[N@H+](CC2([NH3+])CCC2)C1 88052281 573054275 /nfs/dbraw/zinc/05/42/75/573054275.db2.gz UKQPLSJNTCOQGE-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[N@H+](CC2([NH3+])CCC2)C1 88051638 573054365 /nfs/dbraw/zinc/05/43/65/573054365.db2.gz KNKYBGJFEPYYNO-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCC2)C[C@@H]1C 88052299 573055271 /nfs/dbraw/zinc/05/52/71/573055271.db2.gz KMHVBXSBJOQULJ-AOOOYVTPSA-N 2 2 182.311 1.456 10 0 ADAELP C[C@@H]1C[N@H+](CC2([NH3+])CCC2)C[C@@H]1C 88052299 573055276 /nfs/dbraw/zinc/05/52/76/573055276.db2.gz KMHVBXSBJOQULJ-AOOOYVTPSA-N 2 2 182.311 1.456 10 0 ADAELP C[C@H]1CC[N@H+](CC2([NH3+])CCC2)[C@H](C)C1 88052097 573058016 /nfs/dbraw/zinc/05/80/16/573058016.db2.gz MYWCAVBQYQDJQG-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@@H+](CC2([NH3+])CCC2)[C@H](C)C1 88052097 573058022 /nfs/dbraw/zinc/05/80/22/573058022.db2.gz MYWCAVBQYQDJQG-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCCC[N@@H+]1CC1([NH3+])CCC1 88051625 573058033 /nfs/dbraw/zinc/05/80/33/573058033.db2.gz WVKBCXHYNUAXJY-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP 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573063247 /nfs/dbraw/zinc/06/32/47/573063247.db2.gz VEIOIRSWVZZMPG-QWRGUYRKSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C[C@@H]2CC2(C)C)C1 235699619 573063249 /nfs/dbraw/zinc/06/32/49/573063249.db2.gz VEIOIRSWVZZMPG-QWRGUYRKSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@H]([NH3+])C1CC[NH+](CC(F)F)CC1 82474962 573063489 /nfs/dbraw/zinc/06/34/89/573063489.db2.gz VJWNTGHONGBPAB-ZETCQYMHSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@@H]1CCN(c2cc[nH+]cc2C[NH3+])C1 88115128 573069079 /nfs/dbraw/zinc/06/90/79/573069079.db2.gz WSYROBHYHACEOD-SECBINFHSA-N 2 2 191.278 1.387 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)CC1 82489419 573069177 /nfs/dbraw/zinc/06/91/77/573069177.db2.gz JRCDGGOXFYAJDF-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)CC1 82489419 573069183 /nfs/dbraw/zinc/06/91/83/573069183.db2.gz JRCDGGOXFYAJDF-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1cc(-n2cc[nH+]c2)c(CO)c[nH+]1 88110361 573069227 /nfs/dbraw/zinc/06/92/27/573069227.db2.gz IIESDAWUBYMCPI-UHFFFAOYSA-N 2 2 189.218 1.068 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C)CC1 82489056 573072345 /nfs/dbraw/zinc/07/23/45/573072345.db2.gz WBDLSRXPQFCEQP-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](C)CC1 82489056 573072350 /nfs/dbraw/zinc/07/23/50/573072350.db2.gz WBDLSRXPQFCEQP-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP C[C@H]1CCC[N@H+](CC(N)=[NH2+])CC1 82489513 573072360 /nfs/dbraw/zinc/07/23/60/573072360.db2.gz WGSCCWYIJVCHRO-QMMMGPOBSA-N 2 2 169.272 1.044 10 0 ADAELP C[C@H]1CCC[N@@H+](CC(N)=[NH2+])CC1 82489513 573072364 /nfs/dbraw/zinc/07/23/64/573072364.db2.gz WGSCCWYIJVCHRO-QMMMGPOBSA-N 2 2 169.272 1.044 10 0 ADAELP c1[nH]c2cc3c(cc2[nH+]1)CC[NH2+]CC3 114450804 573081208 /nfs/dbraw/zinc/08/12/08/573081208.db2.gz QVXPMLBYVCEIJS-UHFFFAOYSA-N 2 2 187.246 1.251 10 0 ADAELP Cc1[nH+]cccc1N[C@H]1CC[NH2+]C1 86730959 573596885 /nfs/dbraw/zinc/59/68/85/573596885.db2.gz ODXNELIKFOKXLN-VIFPVBQESA-N 2 2 177.251 1.164 10 0 ADAELP CC[N@@H+]1CCC[C@@H]1c1ncc(C[NH3+])o1 257943046 573091153 /nfs/dbraw/zinc/09/11/53/573091153.db2.gz FMLDSAOGRKMXBR-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP CC[N@H+]1CCC[C@@H]1c1ncc(C[NH3+])o1 257943046 573091157 /nfs/dbraw/zinc/09/11/57/573091157.db2.gz FMLDSAOGRKMXBR-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP CCCc1cn(CCC[NH3+])c[nH+]1 77262495 573103379 /nfs/dbraw/zinc/10/33/79/573103379.db2.gz HSZRMMASLLSBAE-UHFFFAOYSA-N 2 2 167.256 1.184 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(OC)c(C)c1 259325342 573092574 /nfs/dbraw/zinc/09/25/74/573092574.db2.gz LBSKTWMIGSCIOI-SNVBAGLBSA-N 2 2 194.278 1.223 10 0 ADAELP C[C@H]1C[C@H](Nc2cccc[nH+]2)CC[NH2+]1 235708319 573092659 /nfs/dbraw/zinc/09/26/59/573092659.db2.gz YJBLPPJSDUPPIX-VHSXEESVSA-N 2 2 191.278 1.634 10 0 ADAELP C[C@@H](C[NH3+])Cc1[nH]c(C(C)(C)C)c[nH+]1 259035747 573092724 /nfs/dbraw/zinc/09/27/24/573092724.db2.gz GYHHWVVITRYEKI-MRVPVSSYSA-N 2 2 195.310 1.845 10 0 ADAELP C[C@H](C[NH3+])Cc1[nH]c(C(C)(C)C)c[nH+]1 259035749 573094364 /nfs/dbraw/zinc/09/43/64/573094364.db2.gz GYHHWVVITRYEKI-QMMMGPOBSA-N 2 2 195.310 1.845 10 0 ADAELP C/C=C\C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 215417310 573597889 /nfs/dbraw/zinc/59/78/89/573597889.db2.gz GHQBBPJDDKWAHW-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@H+](CC)[C@@H]1CCC[NH2+]C1 215417310 573597893 /nfs/dbraw/zinc/59/78/93/573597893.db2.gz GHQBBPJDDKWAHW-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC[C@H]2CCC[C@H]21 83701207 573597901 /nfs/dbraw/zinc/59/79/01/573597901.db2.gz NSDAJUSQMWAJPB-RKDXNWHRSA-N 2 2 181.283 1.187 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC[C@H]2CCC[C@H]21 83701207 573597906 /nfs/dbraw/zinc/59/79/06/573597906.db2.gz NSDAJUSQMWAJPB-RKDXNWHRSA-N 2 2 181.283 1.187 10 0 ADAELP CCC[C@@H]1[NH2+][C@@H](C)CC(C)(C)[NH2+]1 238277962 573103087 /nfs/dbraw/zinc/10/30/87/573103087.db2.gz VQSSGVUUEITKJL-DTWKUNHWSA-N 2 2 170.300 1.863 10 0 ADAELP C[C@H](C[NH3+])[NH2+][C@H]1COc2ccccc21 235463948 573106885 /nfs/dbraw/zinc/10/68/85/573106885.db2.gz GEBUISRKRICPOK-SCZZXKLOSA-N 2 2 192.262 1.057 10 0 ADAELP Cc1[nH+]cccc1NC1CC[NH2+]CC1 85711710 573121491 /nfs/dbraw/zinc/12/14/91/573121491.db2.gz BNLKONKPXFFWIG-UHFFFAOYSA-N 2 2 191.278 1.554 10 0 ADAELP CCCC[N@H+]1CCCC[NH2+][C@H](C)C1 259338781 573131251 /nfs/dbraw/zinc/13/12/51/573131251.db2.gz JFCOBHYIPZCBHT-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CC[C@@](C)([C@@H](C)[NH3+])[NH+]1CCCCC1 85749555 573134937 /nfs/dbraw/zinc/13/49/37/573134937.db2.gz FXKVFIYVEPJKEZ-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@](C)([C@@H](C)[NH3+])[NH+]1CCCC1 85748896 573135037 /nfs/dbraw/zinc/13/50/37/573135037.db2.gz HZGCKAGQYOBCCG-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[NH2+][C@@H](CC1CC1)C[NH+](C)C 85799980 573150995 /nfs/dbraw/zinc/15/09/95/573150995.db2.gz AWNLAYHZXXXFSD-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC1CCC([C@@H](C)[NH3+])([NH+](C)C)CC1 85753386 573137596 /nfs/dbraw/zinc/13/75/96/573137596.db2.gz MGDZOAXWYQBWJB-HSOILSAZSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@](C)([C@H](C)[NH3+])[NH+]1CCCCC1 85749558 573137729 /nfs/dbraw/zinc/13/77/29/573137729.db2.gz FXKVFIYVEPJKEZ-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CCSC1CC[NH+](CC[NH3+])CC1 259341787 573137757 /nfs/dbraw/zinc/13/77/57/573137757.db2.gz XWTIGPDWSCBICQ-UHFFFAOYSA-N 2 2 188.340 1.163 10 0 ADAELP C[C@@H]1CCC[C@@]([C@@H](C)[NH3+])([NH+](C)C)C1 85753794 573137790 /nfs/dbraw/zinc/13/77/90/573137790.db2.gz DEZVNEVAZDSXNX-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[NH2+]C[C@@H](C(C)C)[NH+]1CC=CC1 308503588 573146906 /nfs/dbraw/zinc/14/69/06/573146906.db2.gz BUTKXTUXZXNJQG-LBPRGKRZSA-N 2 2 196.338 1.882 10 0 ADAELP C[C@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220518 573147015 /nfs/dbraw/zinc/14/70/15/573147015.db2.gz RMUHNWQWKUOMMW-LURJTMIESA-N 2 2 161.208 1.583 10 0 ADAELP C[C@H](C[NH3+])[C@H]1c2c[nH+]ccc2C[C@H]1C 257742843 573150873 /nfs/dbraw/zinc/15/08/73/573150873.db2.gz OXRGKAFWFKGSNL-LNLATYFQSA-N 2 2 190.290 1.952 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+](CC)CC1CC1 82686870 573161366 /nfs/dbraw/zinc/16/13/66/573161366.db2.gz DEPXRUKWBNBAEE-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+](CC)CC1CC1 82686870 573161375 /nfs/dbraw/zinc/16/13/75/573161375.db2.gz DEPXRUKWBNBAEE-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP Cc1ccc(C[C@H](C)C[NH3+])c[nH+]1 82763075 573183059 /nfs/dbraw/zinc/18/30/59/573183059.db2.gz KBXVDDAAQGUYRE-QMMMGPOBSA-N 2 2 164.252 1.527 10 0 ADAELP Cc1ccc(N(C)C)cc1[C@H]([NH3+])C[NH3+] 104682760 573183270 /nfs/dbraw/zinc/18/32/70/573183270.db2.gz LTTWRMDXSGSHGU-LLVKDONJSA-N 2 2 193.294 1.020 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C2(C)CCCC2)C1 82785668 573195335 /nfs/dbraw/zinc/19/53/35/573195335.db2.gz GBTGZMQTVJXLNW-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](C2(C)CCCC2)C1 82785668 573195339 /nfs/dbraw/zinc/19/53/39/573195339.db2.gz GBTGZMQTVJXLNW-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1([N@@H+]2CCC[C@H]([NH3+])C2)CCCC1 82785732 573195971 /nfs/dbraw/zinc/19/59/71/573195971.db2.gz IBIVEFGXGIELPJ-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP CC1([N@H+]2CCC[C@H]([NH3+])C2)CCCC1 82785732 573195975 /nfs/dbraw/zinc/19/59/75/573195975.db2.gz IBIVEFGXGIELPJ-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C2(C)CCCC2)C1 82785667 573196015 /nfs/dbraw/zinc/19/60/15/573196015.db2.gz GBTGZMQTVJXLNW-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C2(C)CCCC2)C1 82785667 573196019 /nfs/dbraw/zinc/19/60/19/573196019.db2.gz GBTGZMQTVJXLNW-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP [NH3+][C@@H](c1ccc(F)cc1F)C1([NH3+])CC1 259375927 573212200 /nfs/dbraw/zinc/21/22/00/573212200.db2.gz KTEJZFWAIWMACI-VIFPVBQESA-N 2 2 198.216 1.456 10 0 ADAELP C1CC[N@@H+]2[C@@H](C1)C[NH2+][C@@H]1CCCC[C@H]12 257764498 573215385 /nfs/dbraw/zinc/21/53/85/573215385.db2.gz IHYWZXTYGMUUJA-QJPTWQEYSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC[N@H+]2[C@@H](C1)C[NH2+][C@@H]1CCCC[C@H]12 257764498 573215390 /nfs/dbraw/zinc/21/53/90/573215390.db2.gz IHYWZXTYGMUUJA-QJPTWQEYSA-N 2 2 194.322 1.755 10 0 ADAELP CC[N@H+](C)[C@H]1[C@@H]([NH2+]C)C[C@@H](C)C[C@H]1C 82829662 573215453 /nfs/dbraw/zinc/21/54/53/573215453.db2.gz BAIXHCUGKJBZRL-WHOHXGKFSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@@H+](C)[C@H]1[C@@H]([NH2+]C)C[C@@H](C)C[C@H]1C 82829662 573215459 /nfs/dbraw/zinc/21/54/59/573215459.db2.gz BAIXHCUGKJBZRL-WHOHXGKFSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(C)cc1C 259379222 573215473 /nfs/dbraw/zinc/21/54/73/573215473.db2.gz NCJQTLNFGCDMEX-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP C[C@H]([NH2+]C1CC1)[C@H](C)c1cn(C)c[nH+]1 308517337 573217496 /nfs/dbraw/zinc/21/74/96/573217496.db2.gz FUWXKRDCPBWGNN-IUCAKERBSA-N 2 2 193.294 1.664 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1C[N@H+](C)C1CC1 235543886 573216801 /nfs/dbraw/zinc/21/68/01/573216801.db2.gz VRVFEMFUNFYFQR-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1C[N@@H+](C)C1CC1 235543886 573216807 /nfs/dbraw/zinc/21/68/07/573216807.db2.gz VRVFEMFUNFYFQR-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1[nH]c(C2C[NH2+]C2)[nH+]c1C(C)C 257974584 573216815 /nfs/dbraw/zinc/21/68/15/573216815.db2.gz YXSFBCSMHDXSRB-UHFFFAOYSA-N 2 2 179.267 1.528 10 0 ADAELP Cc1[nH+]c(C2C[NH2+]C2)[nH]c1C(C)C 257974584 573216818 /nfs/dbraw/zinc/21/68/18/573216818.db2.gz YXSFBCSMHDXSRB-UHFFFAOYSA-N 2 2 179.267 1.528 10 0 ADAELP CC1(C)C[NH2+][C@@](C)([C@@H]2CCCC[NH2+]2)O1 258487854 573217067 /nfs/dbraw/zinc/21/70/67/573217067.db2.gz LOODAYZVZLHXJK-GXSJLCMTSA-N 2 2 198.310 1.243 10 0 ADAELP CC1(C)C[NH2+][C@](C)([C@H]2CCCC[NH2+]2)O1 258488038 573217202 /nfs/dbraw/zinc/21/72/02/573217202.db2.gz LOODAYZVZLHXJK-KOLCDFICSA-N 2 2 198.310 1.243 10 0 ADAELP CC[C@H](C[NH2+]CC(C)C)[NH+]1CC=CC1 308517952 573217338 /nfs/dbraw/zinc/21/73/38/573217338.db2.gz PBGKYEUPIZLJBG-GFCCVEGCSA-N 2 2 196.338 1.882 10 0 ADAELP C[NH2+][C@H](c1sccc1C)C1([NH3+])CC1 259382258 573222429 /nfs/dbraw/zinc/22/24/29/573222429.db2.gz VVUTVFWZXUXGGA-SECBINFHSA-N 2 2 196.319 1.808 10 0 ADAELP CC1(C)C[NH2+][C@@](C)([C@H]2CCCC[NH2+]2)O1 258488052 573222611 /nfs/dbraw/zinc/22/26/11/573222611.db2.gz LOODAYZVZLHXJK-MWLCHTKSSA-N 2 2 198.310 1.243 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009541 573229190 /nfs/dbraw/zinc/22/91/90/573229190.db2.gz NTHGMVYVABONIO-VLEAKVRGSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009541 573229198 /nfs/dbraw/zinc/22/91/98/573229198.db2.gz NTHGMVYVABONIO-VLEAKVRGSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+]1CCC[C@H]2CCC[C@@H]21 83701205 573600478 /nfs/dbraw/zinc/60/04/78/573600478.db2.gz RBVXQCBNPIYNNC-BBBLOLIVSA-N 2 2 195.310 1.575 10 0 ADAELP C[NH+](C)C[C@@H]1C[C@@H]2CCC[C@@H]2[NH2+]1 238321699 573228719 /nfs/dbraw/zinc/22/87/19/573228719.db2.gz QGJOYQVMZUOVEZ-GUBZILKMSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C 86010249 573228941 /nfs/dbraw/zinc/22/89/41/573228941.db2.gz AVRCQLJYLXDYAK-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C 86010249 573228947 /nfs/dbraw/zinc/22/89/47/573228947.db2.gz AVRCQLJYLXDYAK-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@H+]1C[C@@H](C)[C@@H](C)C1 86010246 573229128 /nfs/dbraw/zinc/22/91/28/573229128.db2.gz JAJPOHYKQFUMCS-NNYUYHANSA-N 2 2 196.338 1.572 10 0 ADAELP C[NH+](C)C[C@@H]1C[C@H]2CCC[C@@H]2[NH2+]1 238321741 573229133 /nfs/dbraw/zinc/22/91/33/573229133.db2.gz QGJOYQVMZUOVEZ-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010246 573229135 /nfs/dbraw/zinc/22/91/35/573229135.db2.gz JAJPOHYKQFUMCS-NNYUYHANSA-N 2 2 196.338 1.572 10 0 ADAELP Cc1ccc([C@@H](C)CC[NH3+])c[nH+]1 82851152 573236655 /nfs/dbraw/zinc/23/66/55/573236655.db2.gz BSYNDXOESMGKFZ-QMMMGPOBSA-N 2 2 164.252 1.842 10 0 ADAELP Cc1cc[nH+]cc1[C@@H](C)CC[NH3+] 82851146 573236734 /nfs/dbraw/zinc/23/67/34/573236734.db2.gz MRHNYWMWDSXLOE-QMMMGPOBSA-N 2 2 164.252 1.842 10 0 ADAELP CSc1ccc([C@](C)([NH3+])C[NH3+])cc1 259042143 573236832 /nfs/dbraw/zinc/23/68/32/573236832.db2.gz KUZHOVJHWPEZDQ-SNVBAGLBSA-N 2 2 196.319 1.541 10 0 ADAELP C[NH+](C)[C@H](c1ccc[nH]1)C1([NH3+])CC1 259045595 573244677 /nfs/dbraw/zinc/24/46/77/573244677.db2.gz BKGALVDLARTIFA-SECBINFHSA-N 2 2 179.267 1.109 10 0 ADAELP C[NH2+][C@H](c1cccc(C)c1)[C@H](C)[NH3+] 259390419 573244086 /nfs/dbraw/zinc/24/40/86/573244086.db2.gz LKMUBXBXFOLMRI-ONGXEEELSA-N 2 2 178.279 1.603 10 0 ADAELP CCC[NH2+][C@@H](C)c1c[nH+]c(N(C)C)[nH]1 308521605 573244386 /nfs/dbraw/zinc/24/43/86/573244386.db2.gz HYELJMRKBJUHQD-QMMMGPOBSA-N 2 2 196.298 1.536 10 0 ADAELP C[NH+](C)[C@@H](c1ccc[nH]1)C1([NH3+])CC1 259045598 573244405 /nfs/dbraw/zinc/24/44/05/573244405.db2.gz BKGALVDLARTIFA-VIFPVBQESA-N 2 2 179.267 1.109 10 0 ADAELP Cn1cc[nH+]c1C[C@@]1(C)CCC[NH2+]1 86752865 573600548 /nfs/dbraw/zinc/60/05/48/573600548.db2.gz HAFTUCHEUWYJCV-SNVBAGLBSA-N 2 2 179.267 1.105 10 0 ADAELP Cc1[nH]cc([C@@H]2CC[N@H+](C)C2)[nH+]1 259049190 573250193 /nfs/dbraw/zinc/25/01/93/573250193.db2.gz IMNPXMNRAKXTON-MRVPVSSYSA-N 2 2 165.240 1.137 10 0 ADAELP C[C@H]1CC[C@]([NH3+])(Cc2[nH+]ccn2C)C1 86750753 573600642 /nfs/dbraw/zinc/60/06/42/573600642.db2.gz OIBLKNBWDDJSRD-GXSJLCMTSA-N 2 2 193.294 1.480 10 0 ADAELP CC(C)(C[NH3+])[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700165 573600644 /nfs/dbraw/zinc/60/06/44/573600644.db2.gz XFNFJZSQIQYINW-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)(C[NH3+])[N@H+]1CCC[C@H]2CCC[C@@H]21 83700165 573600650 /nfs/dbraw/zinc/60/06/50/573600650.db2.gz XFNFJZSQIQYINW-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@@H](c1cccnc1)C(C)(C)[NH2+]C 259394442 573258214 /nfs/dbraw/zinc/25/82/14/573258214.db2.gz MKQCTZPFURVNGK-JTQLQIEISA-N 2 2 193.294 1.340 10 0 ADAELP Cc1cccc([C@@H]([NH3+])C[NH2+]C2CC2)c1 257980655 573258262 /nfs/dbraw/zinc/25/82/62/573258262.db2.gz COJQAKIHIJOFNI-LBPRGKRZSA-N 2 2 190.290 1.747 10 0 ADAELP C[NH2+][C@H](c1cccnc1)C(C)(C)[NH3+] 259398590 573258471 /nfs/dbraw/zinc/25/84/71/573258471.db2.gz LRVJFZHPAQJNII-SECBINFHSA-N 2 2 179.267 1.079 10 0 ADAELP C[C@H]1C[C@H]1C[NH2+][C@@]12CCC[N@H+](CC1)C2 714866667 573259308 /nfs/dbraw/zinc/25/93/08/573259308.db2.gz QJAPQOWUEXRSPQ-SRVKXCTJSA-N 2 2 194.322 1.470 10 0 ADAELP C[C@H]1C[C@H]1C[NH2+][C@@]12CCC[N@@H+](CC1)C2 714866667 573259316 /nfs/dbraw/zinc/25/93/16/573259316.db2.gz QJAPQOWUEXRSPQ-SRVKXCTJSA-N 2 2 194.322 1.470 10 0 ADAELP C[NH2+][C@@H](c1cccnc1)C(C)(C)[NH3+] 259398592 573258954 /nfs/dbraw/zinc/25/89/54/573258954.db2.gz LRVJFZHPAQJNII-VIFPVBQESA-N 2 2 179.267 1.079 10 0 ADAELP CC[C@H]([NH3+])[C@H]([NH3+])c1cccs1 142324783 573258996 /nfs/dbraw/zinc/25/89/96/573258996.db2.gz DXRMQKWBQTWOQJ-XPUUQOCRSA-N 2 2 170.281 1.485 10 0 ADAELP CCC[N@@H+]1C[C@@H]([NH2+]C)CCC1(C)C 259399815 573277437 /nfs/dbraw/zinc/27/74/37/573277437.db2.gz MDMKZGHQWZYQSQ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1C[C@@H]([NH2+]C)CCC1(C)C 259399815 573277443 /nfs/dbraw/zinc/27/74/43/573277443.db2.gz MDMKZGHQWZYQSQ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CC[C@H](CC2CC2)[C@@H]([NH3+])C1 238330279 573277834 /nfs/dbraw/zinc/27/78/34/573277834.db2.gz MLHCSXDAORNGPY-ZJUUUORDSA-N 2 2 168.284 1.066 10 0 ADAELP C[N@H+]1CC[C@H](CC2CC2)[C@@H]([NH3+])C1 238330279 573277840 /nfs/dbraw/zinc/27/78/40/573277840.db2.gz MLHCSXDAORNGPY-ZJUUUORDSA-N 2 2 168.284 1.066 10 0 ADAELP CN(C)c1cc[nH+]c([C@@H]([NH3+])C2CC2)c1 238333890 573289821 /nfs/dbraw/zinc/28/98/21/573289821.db2.gz OCMAVXSDAQGUOT-NSHDSACASA-N 2 2 191.278 1.557 10 0 ADAELP CC(C)c1[nH+]cn2c1[C@H](CC[NH3+])CC2 74247444 573290006 /nfs/dbraw/zinc/29/00/06/573290006.db2.gz REKMIKZJKYIFDE-SECBINFHSA-N 2 2 193.294 1.843 10 0 ADAELP CC(C)(C)C[N@@H+]1CC[NH2+]CC(C)(C)C1 258279565 573290117 /nfs/dbraw/zinc/29/01/17/573290117.db2.gz VEUOUBJTAIDRAF-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CC(C)(C)C[N@H+]1CC[NH2+]CC(C)(C)C1 258279565 573290121 /nfs/dbraw/zinc/29/01/21/573290121.db2.gz VEUOUBJTAIDRAF-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CC(C)[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942507 573312190 /nfs/dbraw/zinc/31/21/90/573312190.db2.gz IMZWIPKSORAYNU-ZJUUUORDSA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942507 573312194 /nfs/dbraw/zinc/31/21/94/573312194.db2.gz IMZWIPKSORAYNU-ZJUUUORDSA-N 2 2 170.300 1.467 10 0 ADAELP CCCC[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942416 573312330 /nfs/dbraw/zinc/31/23/30/573312330.db2.gz YVXUXOCVISJLGB-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942416 573312333 /nfs/dbraw/zinc/31/23/33/573312333.db2.gz YVXUXOCVISJLGB-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CCC[NH2+]C[C@@H]1CC(F)(F)F 238344862 573312359 /nfs/dbraw/zinc/31/23/59/573312359.db2.gz BZXQJNBHDLJROT-ZETCQYMHSA-N 2 2 196.216 1.233 10 0 ADAELP C[N@H+]1CCC[NH2+]C[C@@H]1CC(F)(F)F 238344862 573312367 /nfs/dbraw/zinc/31/23/67/573312367.db2.gz BZXQJNBHDLJROT-ZETCQYMHSA-N 2 2 196.216 1.233 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@@](C)(CC)C1 82942132 573312375 /nfs/dbraw/zinc/31/23/75/573312375.db2.gz WFNYNVARGIDPHX-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@@](C)(CC)C1 82942132 573312384 /nfs/dbraw/zinc/31/23/84/573312384.db2.gz WFNYNVARGIDPHX-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP C[N@@H+]1CCC[NH2+][C@H](CC(F)(F)F)C1 238345038 573312430 /nfs/dbraw/zinc/31/24/30/573312430.db2.gz YHOWLKRGTWSZHH-SSDOTTSWSA-N 2 2 196.216 1.233 10 0 ADAELP C[N@H+]1CCC[NH2+][C@H](CC(F)(F)F)C1 238345038 573312436 /nfs/dbraw/zinc/31/24/36/573312436.db2.gz YHOWLKRGTWSZHH-SSDOTTSWSA-N 2 2 196.216 1.233 10 0 ADAELP CSCC[N@H+](CC[NH3+])C(C)C 129342255 573312463 /nfs/dbraw/zinc/31/24/63/573312463.db2.gz WRHZFOJIZISVCF-UHFFFAOYSA-N 2 2 176.329 1.019 10 0 ADAELP C[C@H]1C[N@H+](CC2CC2)[C@H](C)CC[NH2+]1 82942461 573312470 /nfs/dbraw/zinc/31/24/70/573312470.db2.gz UASGOTFTGGPNHP-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CSCC[N@@H+](CC[NH3+])C(C)C 129342255 573312471 /nfs/dbraw/zinc/31/24/71/573312471.db2.gz WRHZFOJIZISVCF-UHFFFAOYSA-N 2 2 176.329 1.019 10 0 ADAELP C[C@H]1C[N@@H+](CC2CC2)[C@H](C)CC[NH2+]1 82942461 573312476 /nfs/dbraw/zinc/31/24/76/573312476.db2.gz UASGOTFTGGPNHP-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942448 573311867 /nfs/dbraw/zinc/31/18/67/573311867.db2.gz HVLNILYYCXKTLX-BDAKNGLRSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942448 573311872 /nfs/dbraw/zinc/31/18/72/573311872.db2.gz HVLNILYYCXKTLX-BDAKNGLRSA-N 2 2 156.273 1.079 10 0 ADAELP [NH3+]CCc1[nH+]ccn1CCCCCF 308546899 573311899 /nfs/dbraw/zinc/31/18/99/573311899.db2.gz OGUFMJSINWCGKX-UHFFFAOYSA-N 2 2 199.273 1.524 10 0 ADAELP CC[C@H]1C[N@H+](C(C)C)[C@H](C)CC[NH2+]1 82943354 573311958 /nfs/dbraw/zinc/31/19/58/573311958.db2.gz GQJCSFUVAPUUQP-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H]1C[N@@H+](C(C)C)[C@H](C)CC[NH2+]1 82943354 573311961 /nfs/dbraw/zinc/31/19/61/573311961.db2.gz GQJCSFUVAPUUQP-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP CCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943524 573311984 /nfs/dbraw/zinc/31/19/84/573311984.db2.gz LMPCKCYSLZMYBA-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943524 573311990 /nfs/dbraw/zinc/31/19/90/573311990.db2.gz LMPCKCYSLZMYBA-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[N@@H+]1CCCC[NH2+][C@H](C)C1 259412476 573312007 /nfs/dbraw/zinc/31/20/07/573312007.db2.gz MZGFIRKPULMGIA-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@H+]1CCCC[NH2+][C@H](C)C1 259412476 573312014 /nfs/dbraw/zinc/31/20/14/573312014.db2.gz MZGFIRKPULMGIA-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C 82942242 573312031 /nfs/dbraw/zinc/31/20/31/573312031.db2.gz UFRUDSKBKSCUJH-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C 82942242 573312038 /nfs/dbraw/zinc/31/20/38/573312038.db2.gz UFRUDSKBKSCUJH-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH2+]CC[N@H+](C)CCSCC 129345756 573312071 /nfs/dbraw/zinc/31/20/71/573312071.db2.gz YXRAVNLBAFCOIO-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CC[NH2+]CC[N@@H+](C)CCSCC 129345756 573312073 /nfs/dbraw/zinc/31/20/73/573312073.db2.gz YXRAVNLBAFCOIO-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CC[N@@H+]1C[C@H](C(C)C)[NH2+]CC[C@@H]1C 82942240 573312084 /nfs/dbraw/zinc/31/20/84/573312084.db2.gz UFRUDSKBKSCUJH-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]1C[C@H](C(C)C)[NH2+]CC[C@@H]1C 82942240 573312090 /nfs/dbraw/zinc/31/20/90/573312090.db2.gz UFRUDSKBKSCUJH-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP [NH3+][C@@H](c1cccs1)[C@@H]1CCCC[NH2+]1 259525488 573601762 /nfs/dbraw/zinc/60/17/62/573601762.db2.gz WBILCDQAEDJXBE-WCBMZHEXSA-N 2 2 196.319 1.890 10 0 ADAELP CC[C@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82941834 573312677 /nfs/dbraw/zinc/31/26/77/573312677.db2.gz TWKZUFVOKJVABC-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1c1ccccc1 238346464 573312722 /nfs/dbraw/zinc/31/27/22/573312722.db2.gz WRBGYJZVJVSZCB-VXGBXAGGSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH3+])[C@H]1c1ccccc1 238346464 573312725 /nfs/dbraw/zinc/31/27/25/573312725.db2.gz WRBGYJZVJVSZCB-VXGBXAGGSA-N 2 2 190.290 1.781 10 0 ADAELP CC[C@H]1C[N@@H+](CC2CC2)[C@H](C)CC[NH2+]1 82943344 573312786 /nfs/dbraw/zinc/31/27/86/573312786.db2.gz RHZAFDHNIDFJRJ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C[NH3+])n1c[nH+]c(C2CC2)c1 74304598 573312841 /nfs/dbraw/zinc/31/28/41/573312841.db2.gz HOLIDHPTOMSKLH-UHFFFAOYSA-N 2 2 179.267 1.454 10 0 ADAELP CC(C)[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942510 573312940 /nfs/dbraw/zinc/31/29/40/573312940.db2.gz IMZWIPKSORAYNU-UWVGGRQHSA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942510 573312945 /nfs/dbraw/zinc/31/29/45/573312945.db2.gz IMZWIPKSORAYNU-UWVGGRQHSA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C 308546081 573312983 /nfs/dbraw/zinc/31/29/83/573312983.db2.gz PPJMGIOZGPHJJR-TUAOUCFPSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@@H+]1CC1CCCC1 82942842 573313040 /nfs/dbraw/zinc/31/30/40/573313040.db2.gz KEOXVENZGBBTGU-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@H+]1CC1CCCC1 82942842 573313044 /nfs/dbraw/zinc/31/30/44/573313044.db2.gz KEOXVENZGBBTGU-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CCC(CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 129514037 573322718 /nfs/dbraw/zinc/32/27/18/573322718.db2.gz LVNDGZPBGDPRMX-MWLCHTKSSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 129514037 573322719 /nfs/dbraw/zinc/32/27/19/573322719.db2.gz LVNDGZPBGDPRMX-MWLCHTKSSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)c1c[nH+]cc2c1NCCO2 238341613 573323141 /nfs/dbraw/zinc/32/31/41/573323141.db2.gz CHGQCQSOFGKBJI-ZETCQYMHSA-N 2 2 193.250 1.166 10 0 ADAELP CCC[C@@H](CCc1cn(C)c[nH+]1)[NH2+]C 308553477 573323214 /nfs/dbraw/zinc/32/32/14/573323214.db2.gz RAGDLJWQKZRIGH-JTQLQIEISA-N 2 2 195.310 1.741 10 0 ADAELP Cc1[nH]c2ccc(C[C@@H](C)[NH3+])cc2[nH+]1 74366429 573333736 /nfs/dbraw/zinc/33/37/36/573333736.db2.gz LIGASYZMHGSGIW-SSDOTTSWSA-N 2 2 189.262 1.761 10 0 ADAELP Cc1[nH]c2cc(C[C@@H](C)[NH3+])ccc2[nH+]1 74366429 573333742 /nfs/dbraw/zinc/33/37/42/573333742.db2.gz LIGASYZMHGSGIW-SSDOTTSWSA-N 2 2 189.262 1.761 10 0 ADAELP CCC(CC)[C@@H]([NH3+])c1c[nH+]cn1C 126085991 573334057 /nfs/dbraw/zinc/33/40/57/573334057.db2.gz JSHAMZDMPLCQAM-SNVBAGLBSA-N 2 2 181.283 1.856 10 0 ADAELP CCC1(CC)C[NH2+][C@@](C)(CC)C[NH2+]1 82960901 573337071 /nfs/dbraw/zinc/33/70/71/573337071.db2.gz BVOUNRKQSUCBAX-JTQLQIEISA-N 2 2 184.327 1.907 10 0 ADAELP CCCn1c[nH+]cc1[C@H]1OCC[C@H]1[NH3+] 86249614 573337123 /nfs/dbraw/zinc/33/71/23/573337123.db2.gz RFBGJAWHSIYBQG-SCZZXKLOSA-N 2 2 195.266 1.082 10 0 ADAELP C[NH2+][C@@H](C)c1c[nH+]c(CCCOC)[nH]1 308560102 573337162 /nfs/dbraw/zinc/33/71/62/573337162.db2.gz VKYRDUZVACSSML-QMMMGPOBSA-N 2 2 197.282 1.269 10 0 ADAELP CC[C@H](C)[C@H]1C[NH2+][C@@](C)(CC)C[NH2+]1 82960868 573337234 /nfs/dbraw/zinc/33/72/34/573337234.db2.gz GHCAAGAXGHRALY-AXFHLTTASA-N 2 2 184.327 1.763 10 0 ADAELP C[NH2+][C@H](C)c1c[nH+]c(CCCOC)[nH]1 308560101 573337250 /nfs/dbraw/zinc/33/72/50/573337250.db2.gz VKYRDUZVACSSML-MRVPVSSYSA-N 2 2 197.282 1.269 10 0 ADAELP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)C[NH2+]1 82960706 573336673 /nfs/dbraw/zinc/33/66/73/573336673.db2.gz IREFGUADIMYQSO-WDEREUQCSA-N 2 2 182.311 1.373 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(C)s1 258006629 573336674 /nfs/dbraw/zinc/33/66/74/573336674.db2.gz FBLDIBOOVZIZJM-SSDOTTSWSA-N 2 2 170.281 1.276 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](c2ccccc2)C[NH2+]1 82961009 573336865 /nfs/dbraw/zinc/33/68/65/573336865.db2.gz JPEXEVLLBQNYBJ-PWSUYJOCSA-N 2 2 190.290 1.699 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 50270122 573336880 /nfs/dbraw/zinc/33/68/80/573336880.db2.gz CXGWSZPFZOCOTP-NSHDSACASA-N 2 2 194.278 1.305 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H]1OCC[C@@H]1[NH3+] 86249162 573336894 /nfs/dbraw/zinc/33/68/94/573336894.db2.gz NQVKIULGPHVYMB-WCBMZHEXSA-N 2 2 195.266 1.253 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(C)cc1 50270104 573336962 /nfs/dbraw/zinc/33/69/62/573336962.db2.gz RQGPENLUYJSSAF-NSHDSACASA-N 2 2 178.279 1.604 10 0 ADAELP C[C@@H](CC[NH2+]C1CC1)c1cn(C)c[nH+]1 308562003 573356661 /nfs/dbraw/zinc/35/66/61/573356661.db2.gz WLPZEGTXWBFYKG-VIFPVBQESA-N 2 2 193.294 1.666 10 0 ADAELP CC(C)[NH2+][C@H](C)[C@H](C)c1cn(C)c[nH+]1 308561507 573356274 /nfs/dbraw/zinc/35/62/74/573356274.db2.gz WGEASJMKMKAOCQ-VHSXEESVSA-N 2 2 195.310 1.910 10 0 ADAELP C[NH2+][C@H](c1c[nH+]c(C)n1C)[C@@H](C)OC 308562836 573361480 /nfs/dbraw/zinc/36/14/80/573361480.db2.gz XBPAIEGQICYSDG-XCBNKYQSSA-N 2 2 197.282 1.024 10 0 ADAELP CC[NH2+]Cc1c[nH+]ccc1N1CCC1 308562724 573360813 /nfs/dbraw/zinc/36/08/13/573360813.db2.gz YKKOMRKQVCCVIB-UHFFFAOYSA-N 2 2 191.278 1.401 10 0 ADAELP C[NH2+][C@H](c1c[nH+]c(C)n1C)[C@H](C)OC 308562837 573360859 /nfs/dbraw/zinc/36/08/59/573360859.db2.gz XBPAIEGQICYSDG-XVKPBYJWSA-N 2 2 197.282 1.024 10 0 ADAELP CC(C)(F)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 107123187 573361136 /nfs/dbraw/zinc/36/11/36/573361136.db2.gz ALNMTUPLFHAPEK-ZETCQYMHSA-N 2 2 171.219 1.028 10 0 ADAELP CC(C)(F)[C@@H]([NH3+])Cc1c[nH]c[nH+]1 107123187 573361140 /nfs/dbraw/zinc/36/11/40/573361140.db2.gz ALNMTUPLFHAPEK-ZETCQYMHSA-N 2 2 171.219 1.028 10 0 ADAELP CC[C@@H]1C[N@H+](CC[NH2+]C)CCS1 133032910 573363623 /nfs/dbraw/zinc/36/36/23/573363623.db2.gz AVQBDSANVCVGGK-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CC[C@@H]1C[N@@H+](CC[NH2+]C)CCS1 133032910 573363628 /nfs/dbraw/zinc/36/36/28/573363628.db2.gz AVQBDSANVCVGGK-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccccc1Cl 258326177 573368312 /nfs/dbraw/zinc/36/83/12/573368312.db2.gz YGIMLUGNJKJOEV-SECBINFHSA-N 2 2 184.670 1.559 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1C 83042630 573368338 /nfs/dbraw/zinc/36/83/38/573368338.db2.gz JANPYXAFIOPKHG-KKZNHRDASA-N 2 2 193.294 1.934 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccccc1Cl 258326181 573368407 /nfs/dbraw/zinc/36/84/07/573368407.db2.gz YGIMLUGNJKJOEV-VIFPVBQESA-N 2 2 184.670 1.559 10 0 ADAELP CCCCc1[nH]c(C[NH2+]CC)c[nH+]1 86324150 573368629 /nfs/dbraw/zinc/36/86/29/573368629.db2.gz XGYVKMGAKGYBTR-UHFFFAOYSA-N 2 2 181.283 1.862 10 0 ADAELP C[C@@]([NH3+])(C[NH2+]CCF)c1ccccc1 308563703 573368706 /nfs/dbraw/zinc/36/87/06/573368706.db2.gz XJLXCSCKGSKNTG-LLVKDONJSA-N 2 2 196.269 1.420 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(Cl)cs1 86333303 573368832 /nfs/dbraw/zinc/36/88/32/573368832.db2.gz RFRXOGYNQPPRNW-LURJTMIESA-N 2 2 190.699 1.621 10 0 ADAELP [NH3+]C[C@@]1(c2ccccc2Cl)CC[NH2+]1 258320542 573369786 /nfs/dbraw/zinc/36/97/86/573369786.db2.gz UHKBGXAPKXDPOZ-SNVBAGLBSA-N 2 2 196.681 1.487 10 0 ADAELP [NH3+]CC[NH2+]Cc1cc(Cl)cs1 86332483 573369173 /nfs/dbraw/zinc/36/91/73/573369173.db2.gz UXSWYNQHJZNGKF-UHFFFAOYSA-N 2 2 190.699 1.450 10 0 ADAELP Cc1ccoc1C[N@@H+](C)[C@@H](C)[C@H](C)[NH3+] 308564333 573369493 /nfs/dbraw/zinc/36/94/93/573369493.db2.gz HAMNHBDSFYKCBQ-UWVGGRQHSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccoc1C[N@H+](C)[C@@H](C)[C@H](C)[NH3+] 308564333 573369504 /nfs/dbraw/zinc/36/95/04/573369504.db2.gz HAMNHBDSFYKCBQ-UWVGGRQHSA-N 2 2 196.294 1.756 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](C2CC=CC2)C1 133102779 573369701 /nfs/dbraw/zinc/36/97/01/573369701.db2.gz AFPABXLBRQQPIV-NSHDSACASA-N 2 2 194.322 1.779 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](C2CC=CC2)C1 133102779 573369705 /nfs/dbraw/zinc/36/97/05/573369705.db2.gz AFPABXLBRQQPIV-NSHDSACASA-N 2 2 194.322 1.779 10 0 ADAELP CCn1c[nH+]c(CC[C@H]([NH3+])C2CC2)c1 308567170 573381283 /nfs/dbraw/zinc/38/12/83/573381283.db2.gz YXPSQPXLGNATHC-NSHDSACASA-N 2 2 193.294 1.573 10 0 ADAELP CCn1c[nH+]c([C@@H](C)[C@H](C)C[NH2+]C)c1 308566743 573380786 /nfs/dbraw/zinc/38/07/86/573380786.db2.gz YTEDEZGOOWJNKA-ZJUUUORDSA-N 2 2 195.310 1.862 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 83057914 573382072 /nfs/dbraw/zinc/38/20/72/573382072.db2.gz NGGBCAYZYCDYNQ-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H](C1CC1)[N@H+]1CCC[NH2+]CC1 83057914 573382082 /nfs/dbraw/zinc/38/20/82/573382082.db2.gz NGGBCAYZYCDYNQ-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H](C1CC1)[N@@H+]1CCC[C@H]([NH3+])C1 83057928 573382218 /nfs/dbraw/zinc/38/22/18/573382218.db2.gz HKWMCUOINIRLQS-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@H](C1CC1)[N@H+]1CCC[C@H]([NH3+])C1 83057928 573382225 /nfs/dbraw/zinc/38/22/25/573382225.db2.gz HKWMCUOINIRLQS-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@H](C)Cn1c[nH+]cc1C(C)(C)C 308567204 573382306 /nfs/dbraw/zinc/38/23/06/573382306.db2.gz YYHKDOWDIHJPAF-SECBINFHSA-N 2 2 195.310 1.789 10 0 ADAELP [NH3+]C[C@H]1CCC[C@@H]1OCc1[nH]cc[nH+]1 308567133 573382321 /nfs/dbraw/zinc/38/23/21/573382321.db2.gz IGLJWFBREKVRFL-BDAKNGLRSA-N 2 2 195.266 1.054 10 0 ADAELP CCn1c[nH+]c([C@H](C)[C@@H](C)C[NH2+]C)c1 308566741 573382470 /nfs/dbraw/zinc/38/24/70/573382470.db2.gz YTEDEZGOOWJNKA-VHSXEESVSA-N 2 2 195.310 1.862 10 0 ADAELP CC[C@H](C1CC1)[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 83058024 573383011 /nfs/dbraw/zinc/38/30/11/573383011.db2.gz ZERRYEURHJRXKV-MVWJERBFSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H](C1CC1)[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 83058024 573383016 /nfs/dbraw/zinc/38/30/16/573383016.db2.gz ZERRYEURHJRXKV-MVWJERBFSA-N 2 2 196.338 1.844 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@H]1OCc1[nH]cc[nH+]1 308567134 573383114 /nfs/dbraw/zinc/38/31/14/573383114.db2.gz IGLJWFBREKVRFL-DTWKUNHWSA-N 2 2 195.266 1.054 10 0 ADAELP Nc1cc([C@H]2CCCC[NH2+]2)cc(N)[nH+]1 211712926 573383128 /nfs/dbraw/zinc/38/31/28/573383128.db2.gz XBUSQFROQDNLNR-MRVPVSSYSA-N 2 2 192.266 1.061 10 0 ADAELP CCn1c[nH+]c([C@@H](C)[C@@H](C)C[NH2+]C)c1 308566739 573383268 /nfs/dbraw/zinc/38/32/68/573383268.db2.gz YTEDEZGOOWJNKA-UWVGGRQHSA-N 2 2 195.310 1.862 10 0 ADAELP CCc1[nH+]cc2n1CCC[C@H]2[NH3+] 107160799 573390467 /nfs/dbraw/zinc/39/04/67/573390467.db2.gz TWCHGSMSFZNCSR-SSDOTTSWSA-N 2 2 165.240 1.239 10 0 ADAELP C[C@@H]1C[C@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 83093083 573392624 /nfs/dbraw/zinc/39/26/24/573392624.db2.gz OYBCSTYDDYVGFC-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 83093083 573392629 /nfs/dbraw/zinc/39/26/29/573392629.db2.gz OYBCSTYDDYVGFC-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP CC[NH2+]CCNc1cc[nH+]c(OC)c1 133235265 573392648 /nfs/dbraw/zinc/39/26/48/573392648.db2.gz VMRWAONHWIYGBB-UHFFFAOYSA-N 2 2 195.266 1.112 10 0 ADAELP CC[C@H]1C[N@@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092876 573397874 /nfs/dbraw/zinc/39/78/74/573397874.db2.gz LISIRCBSYOYTMT-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092876 573397879 /nfs/dbraw/zinc/39/78/79/573397879.db2.gz LISIRCBSYOYTMT-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@@H+](C(C)(C)C)CCC[NH2+]1 83091252 573397270 /nfs/dbraw/zinc/39/72/70/573397270.db2.gz SEIANBMOKNFVQJ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1C[N@H+](C(C)(C)C)CCC[NH2+]1 83091252 573397272 /nfs/dbraw/zinc/39/72/72/573397272.db2.gz SEIANBMOKNFVQJ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+]1CCC[NH2+][C@H](C)C1 83091602 573397287 /nfs/dbraw/zinc/39/72/87/573397287.db2.gz FOSVPPXJHYJNLR-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+]1CCC[NH2+][C@H](C)C1 83091602 573397296 /nfs/dbraw/zinc/39/72/96/573397296.db2.gz FOSVPPXJHYJNLR-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP [NH3+]C1(CCc2cc[nH+]cc2O)CC1 257810648 573397418 /nfs/dbraw/zinc/39/74/18/573397418.db2.gz ANSGQDSVTPXTLO-UHFFFAOYSA-N 2 2 178.235 1.211 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CCC[NH2+][C@H](C)C1 83092038 573397483 /nfs/dbraw/zinc/39/74/83/573397483.db2.gz GINAESPNDZLUGK-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CCC[NH2+][C@H](C)C1 83092038 573397486 /nfs/dbraw/zinc/39/74/86/573397486.db2.gz GINAESPNDZLUGK-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C1=CC[C@H](C[N@@H+]2CCC[NH2+]CC2)CC1 83092918 573397512 /nfs/dbraw/zinc/39/75/12/573397512.db2.gz BAPDLXIDHAHQTO-LBPRGKRZSA-N 2 2 194.322 1.638 10 0 ADAELP C1=CC[C@H](C[N@H+]2CCC[NH2+]CC2)CC1 83092918 573397518 /nfs/dbraw/zinc/39/75/18/573397518.db2.gz BAPDLXIDHAHQTO-LBPRGKRZSA-N 2 2 194.322 1.638 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH2+][C@H](CC)C1 83091440 573397544 /nfs/dbraw/zinc/39/75/44/573397544.db2.gz VZVYHEWHGHOQSB-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH2+][C@H](CC)C1 83091440 573397549 /nfs/dbraw/zinc/39/75/49/573397549.db2.gz VZVYHEWHGHOQSB-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C[N@H+](C)CC(F)F)=C1C[NH2+]C1 129827251 573397610 /nfs/dbraw/zinc/39/76/10/573397610.db2.gz DDKHOLPPHZUAMY-UHFFFAOYSA-N 2 2 190.237 1.103 10 0 ADAELP CC(C[N@@H+](C)CC(F)F)=C1C[NH2+]C1 129827251 573397616 /nfs/dbraw/zinc/39/76/16/573397616.db2.gz DDKHOLPPHZUAMY-UHFFFAOYSA-N 2 2 190.237 1.103 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])[C@]1(C)c1ccccc1 107175825 573397694 /nfs/dbraw/zinc/39/76/94/573397694.db2.gz BEVUYPPGWXOZMO-RYUDHWBXSA-N 2 2 190.290 1.565 10 0 ADAELP CCc1[nH]c(CC[NH3+])[nH+]c1C(C)(C)C 257810337 573397695 /nfs/dbraw/zinc/39/76/95/573397695.db2.gz AHHWAEFQZQADEF-UHFFFAOYSA-N 2 2 195.310 1.771 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])[C@]1(C)c1ccccc1 107175825 573397698 /nfs/dbraw/zinc/39/76/98/573397698.db2.gz BEVUYPPGWXOZMO-RYUDHWBXSA-N 2 2 190.290 1.565 10 0 ADAELP CCc1[nH+]c(CC[NH3+])[nH]c1C(C)(C)C 257810337 573397699 /nfs/dbraw/zinc/39/76/99/573397699.db2.gz AHHWAEFQZQADEF-UHFFFAOYSA-N 2 2 195.310 1.771 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CCC[NH2+][C@@H](C)C1 83091866 573397776 /nfs/dbraw/zinc/39/77/76/573397776.db2.gz AOPNOAJPZDBRJT-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 83091866 573397782 /nfs/dbraw/zinc/39/77/82/573397782.db2.gz AOPNOAJPZDBRJT-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092881 573397808 /nfs/dbraw/zinc/39/78/08/573397808.db2.gz VDFIXELLMQUZBN-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092881 573397813 /nfs/dbraw/zinc/39/78/13/573397813.db2.gz VDFIXELLMQUZBN-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP FC(F)CC[NH2+]C[C@H]1CCCC[NH2+]1 308385509 573408984 /nfs/dbraw/zinc/40/89/84/573408984.db2.gz UCJWXUZSAMZZMS-MRVPVSSYSA-N 2 2 192.253 1.373 10 0 ADAELP C/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 308577163 573409129 /nfs/dbraw/zinc/40/91/29/573409129.db2.gz DXMSLOGUQBBWPQ-JNZVDCKRSA-N 2 2 194.322 1.779 10 0 ADAELP C/C=C(\C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 308577163 573409135 /nfs/dbraw/zinc/40/91/35/573409135.db2.gz DXMSLOGUQBBWPQ-JNZVDCKRSA-N 2 2 194.322 1.779 10 0 ADAELP Cc1[nH+]cccc1N[C@H]1CC[C@@H]([NH3+])C1 86401358 573409164 /nfs/dbraw/zinc/40/91/64/573409164.db2.gz TXTQIGHEFYQFLU-ZJUUUORDSA-N 2 2 191.278 1.682 10 0 ADAELP C/C=C(\C)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 308577165 573410551 /nfs/dbraw/zinc/41/05/51/573410551.db2.gz DXMSLOGUQBBWPQ-LFJXOHPOSA-N 2 2 194.322 1.779 10 0 ADAELP C/C=C(\C)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 308577165 573410555 /nfs/dbraw/zinc/41/05/55/573410555.db2.gz DXMSLOGUQBBWPQ-LFJXOHPOSA-N 2 2 194.322 1.779 10 0 ADAELP Cc1[nH+]cccc1N[C@@H]1CC[C@@H]([NH3+])C1 86401356 573410817 /nfs/dbraw/zinc/41/08/17/573410817.db2.gz TXTQIGHEFYQFLU-NXEZZACHSA-N 2 2 191.278 1.682 10 0 ADAELP CC[N@H+](CCSC)[C@H]1CC[NH2+]C1 129999504 573422081 /nfs/dbraw/zinc/42/20/81/573422081.db2.gz CUUCVKIVXZZYSI-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP CC[N@@H+](CCSC)[C@H]1CC[NH2+]C1 129999504 573422085 /nfs/dbraw/zinc/42/20/85/573422085.db2.gz CUUCVKIVXZZYSI-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP Cc1c[nH+]ccc1C1CC[NH2+]CC1 83137895 573422135 /nfs/dbraw/zinc/42/21/35/573422135.db2.gz DZTYDIQRLJTRCW-UHFFFAOYSA-N 2 2 176.263 1.857 10 0 ADAELP CCc1[nH]cc(C[C@@H]2CCCC[NH2+]2)[nH+]1 257811561 573426423 /nfs/dbraw/zinc/42/64/23/573426423.db2.gz BGDXIPSSKKPNFH-VIFPVBQESA-N 2 2 193.294 1.657 10 0 ADAELP CCc1[nH]c(C[C@@H]2CCCC[NH2+]2)c[nH+]1 257811561 573426430 /nfs/dbraw/zinc/42/64/30/573426430.db2.gz BGDXIPSSKKPNFH-VIFPVBQESA-N 2 2 193.294 1.657 10 0 ADAELP C[C@H]1[C@H]([NH2+]C2CC2)CCC[N@@H+]1C 107223991 573430608 /nfs/dbraw/zinc/43/06/08/573430608.db2.gz RECGCTUDYWKGRL-WCBMZHEXSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1[C@H]([NH2+]C2CC2)CCC[N@H+]1C 107223991 573430614 /nfs/dbraw/zinc/43/06/14/573430614.db2.gz RECGCTUDYWKGRL-WCBMZHEXSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+](C2CC2)[C@H]1C 107224037 573430009 /nfs/dbraw/zinc/43/00/09/573430009.db2.gz QUVKWMHFEJPGCW-WPRPVWTQSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](C2CC2)[C@H]1C 107224037 573430013 /nfs/dbraw/zinc/43/00/13/573430013.db2.gz QUVKWMHFEJPGCW-WPRPVWTQSA-N 2 2 168.284 1.221 10 0 ADAELP c1[nH]c(C2CCC2)[nH+]c1[C@@H]1CC[NH2+]C1 257811803 573430140 /nfs/dbraw/zinc/43/01/40/573430140.db2.gz BIPQMVXMDROMRM-SECBINFHSA-N 2 2 191.278 1.754 10 0 ADAELP [NH3+]Cc1c[nH+]c([C@H]2CCCSC2)[nH]1 258029790 573430194 /nfs/dbraw/zinc/43/01/94/573430194.db2.gz IMPAZUPTQOVVKO-ZETCQYMHSA-N 2 2 197.307 1.479 10 0 ADAELP c1cn(CCNC2=[NH+]CCCC2)c[nH+]1 86454921 573430483 /nfs/dbraw/zinc/43/04/83/573430483.db2.gz FEZXWWNNSYJFMO-UHFFFAOYSA-N 2 2 192.266 1.055 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CC[N@H+]1C1CC1 107235895 573441637 /nfs/dbraw/zinc/44/16/37/573441637.db2.gz JDBDYGORMHCBCC-SCVCMEIPSA-N 2 2 194.322 1.611 10 0 ADAELP C[NH+](C)CC[C@@]1(C)[NH2+]C(C)(C)CO1 258355461 573441808 /nfs/dbraw/zinc/44/18/08/573441808.db2.gz FZTGENJBGJWAET-JTQLQIEISA-N 2 2 186.299 1.053 10 0 ADAELP Cc1cnc([C@H](C)[NH2+]C[C@@H](C)[NH3+])s1 126257243 573444895 /nfs/dbraw/zinc/44/48/95/573444895.db2.gz BBILTZGDGYLJJW-SVRRBLITSA-N 2 2 199.323 1.449 10 0 ADAELP Cc1cnc([C@@H](C)[NH2+]C[C@H](C)[NH3+])s1 126257439 573445527 /nfs/dbraw/zinc/44/55/27/573445527.db2.gz BBILTZGDGYLJJW-POYBYMJQSA-N 2 2 199.323 1.449 10 0 ADAELP [NH3+]C[C@@H](F)c1c[nH+]c2ccccn12 107255563 573445568 /nfs/dbraw/zinc/44/55/68/573445568.db2.gz AMYKKVXJBQVLKP-SSDOTTSWSA-N 2 2 179.198 1.304 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+]C[C@]1(C)C[C@@H]1C 714698250 573445606 /nfs/dbraw/zinc/44/56/06/573445606.db2.gz LIXSTAJXAFIZRW-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+]C[C@]1(C)C[C@@H]1C 714698250 573445614 /nfs/dbraw/zinc/44/56/14/573445614.db2.gz LIXSTAJXAFIZRW-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CCc1[nH]c(CCC2([NH3+])CC2)c[nH+]1 257817451 573454003 /nfs/dbraw/zinc/45/40/03/573454003.db2.gz DRQDDSXCOVRHQR-UHFFFAOYSA-N 2 2 179.267 1.396 10 0 ADAELP C[N@@H+]1CCC[C@@]([NH3+])(CC(F)(F)F)C1 257817204 573453720 /nfs/dbraw/zinc/45/37/20/573453720.db2.gz DQVDTQLVRCVGTJ-SSDOTTSWSA-N 2 2 196.216 1.362 10 0 ADAELP C[N@H+]1CCC[C@@]([NH3+])(CC(F)(F)F)C1 257817204 573453726 /nfs/dbraw/zinc/45/37/26/573453726.db2.gz DQVDTQLVRCVGTJ-SSDOTTSWSA-N 2 2 196.216 1.362 10 0 ADAELP C[N@@H+]1C[C@@]2(CCCC[NH2+]2)CC12CC2 257814507 573458294 /nfs/dbraw/zinc/45/82/94/573458294.db2.gz CJKXYAXXHJBJIC-SNVBAGLBSA-N 2 2 180.295 1.367 10 0 ADAELP C[N@H+]1C[C@@]2(CCCC[NH2+]2)CC12CC2 257814507 573458299 /nfs/dbraw/zinc/45/82/99/573458299.db2.gz CJKXYAXXHJBJIC-SNVBAGLBSA-N 2 2 180.295 1.367 10 0 ADAELP Cc1[nH]c([C@H]2CC[NH2+]C2)[nH+]c1C(C)C 257817708 573458548 /nfs/dbraw/zinc/45/85/48/573458548.db2.gz DXIAIPBNXCGGCP-VIFPVBQESA-N 2 2 193.294 1.918 10 0 ADAELP Cc1[nH+]c([C@H]2CC[NH2+]C2)[nH]c1C(C)C 257817708 573458557 /nfs/dbraw/zinc/45/85/57/573458557.db2.gz DXIAIPBNXCGGCP-VIFPVBQESA-N 2 2 193.294 1.918 10 0 ADAELP Cc1[nH]c2ccc(C3C[NH2+]C3)cc2[nH+]1 258658684 573458659 /nfs/dbraw/zinc/45/86/59/573458659.db2.gz SCCJTFIUCRBGGR-UHFFFAOYSA-N 2 2 187.246 1.558 10 0 ADAELP Cc1[nH]c2cc(C3C[NH2+]C3)ccc2[nH+]1 258658684 573458665 /nfs/dbraw/zinc/45/86/65/573458665.db2.gz SCCJTFIUCRBGGR-UHFFFAOYSA-N 2 2 187.246 1.558 10 0 ADAELP CC(C)(C[NH3+])Oc1cc[nH+]cc1 259457701 573459844 /nfs/dbraw/zinc/45/98/44/573459844.db2.gz GEKHKLRPNLZGPK-UHFFFAOYSA-N 2 2 166.224 1.198 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1(C)CC1 130103897 573467139 /nfs/dbraw/zinc/46/71/39/573467139.db2.gz VLWGYPXPMMTQAD-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP NC(=[NH2+])C[N@@H+]1C[C@H]2CCCCC[C@@H]21 687954158 573467234 /nfs/dbraw/zinc/46/72/34/573467234.db2.gz CHIWQYSOTVKNAA-BDAKNGLRSA-N 2 2 181.283 1.187 10 0 ADAELP NC(=[NH2+])C[N@H+]1C[C@H]2CCCCC[C@@H]21 687954158 573467242 /nfs/dbraw/zinc/46/72/42/573467242.db2.gz CHIWQYSOTVKNAA-BDAKNGLRSA-N 2 2 181.283 1.187 10 0 ADAELP C[NH2+][C@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]1 259463242 573472421 /nfs/dbraw/zinc/47/24/21/573472421.db2.gz PRYBASVMQZMYGM-VHSXEESVSA-N 2 2 179.267 1.027 10 0 ADAELP C[C@H]([NH3+])Cc1[nH]c2ccc(O)cc2[nH+]1 107288462 573481387 /nfs/dbraw/zinc/48/13/87/573481387.db2.gz AULQTQQPYUXRGR-LURJTMIESA-N 2 2 191.234 1.158 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+](C)[C@@H]1CCC[NH2+]C1 83394289 573480711 /nfs/dbraw/zinc/48/07/11/573480711.db2.gz KZHMYUBSXUWBAV-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+](C)[C@@H]1CCC[NH2+]C1 83394289 573480715 /nfs/dbraw/zinc/48/07/15/573480715.db2.gz KZHMYUBSXUWBAV-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+]CC1(c2[nH]cc(C3CCC3)[nH+]2)CC1 259106286 573480751 /nfs/dbraw/zinc/48/07/51/573480751.db2.gz OLVNJJORGKDKCP-UHFFFAOYSA-N 2 2 191.278 1.668 10 0 ADAELP COc1cc[nH+]cc1[C@H](F)[C@@H](C)C[NH3+] 308596776 573480855 /nfs/dbraw/zinc/48/08/55/573480855.db2.gz ZBOZUCXDRMMMKK-OIBJUYFYSA-N 2 2 198.241 1.696 10 0 ADAELP CO[C@H]([NH3+])c1ccc2[nH]c(C)[nH+]c2c1 259466496 573480925 /nfs/dbraw/zinc/48/09/25/573480925.db2.gz OYYJNZBIYTTYPT-JTQLQIEISA-N 2 2 191.234 1.475 10 0 ADAELP Cc1cc(C[NH2+]CC[NH3+])ccc1F 50545534 573484393 /nfs/dbraw/zinc/48/43/93/573484393.db2.gz AJLUXUAFKFBPMG-UHFFFAOYSA-N 2 2 182.242 1.182 10 0 ADAELP COc1cc[nH+]cc1[C@@H](F)[C@H](C)C[NH3+] 308596778 573483525 /nfs/dbraw/zinc/48/35/25/573483525.db2.gz ZBOZUCXDRMMMKK-XCBNKYQSSA-N 2 2 198.241 1.696 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCCC[NH2+][C@@H](C)C1 259470507 573483926 /nfs/dbraw/zinc/48/39/26/573483926.db2.gz QSTKAYCJYPSLEC-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@H+]1CCCC[NH2+][C@@H](C)C1 259470507 573483931 /nfs/dbraw/zinc/48/39/31/573483931.db2.gz QSTKAYCJYPSLEC-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCc1c[nH+]c(C(C)(C)CC[NH3+])[nH]1 259106419 573483977 /nfs/dbraw/zinc/48/39/77/573483977.db2.gz OOBNHOAMSKNFAY-UHFFFAOYSA-N 2 2 181.283 1.599 10 0 ADAELP CCc1[nH]c(C2C[NH2+]C2)[nH+]c1C1CC1 257819017 573484040 /nfs/dbraw/zinc/48/40/40/573484040.db2.gz FHZVRXJJYTZYDD-UHFFFAOYSA-N 2 2 191.278 1.536 10 0 ADAELP CCc1[nH+]c(C2C[NH2+]C2)[nH]c1C1CC1 257819017 573484042 /nfs/dbraw/zinc/48/40/42/573484042.db2.gz FHZVRXJJYTZYDD-UHFFFAOYSA-N 2 2 191.278 1.536 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1ccc(C)cc1 259470845 573484223 /nfs/dbraw/zinc/48/42/23/573484223.db2.gz RTCLGLQFWTZPJP-NSHDSACASA-N 2 2 192.306 1.993 10 0 ADAELP C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2C[N@@H+]1C 238421729 573496106 /nfs/dbraw/zinc/49/61/06/573496106.db2.gz CCHUSRLQXCMFAI-OPRDCNLKSA-N 2 2 168.284 1.426 10 0 ADAELP C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2C[N@H+]1C 238421729 573496109 /nfs/dbraw/zinc/49/61/09/573496109.db2.gz CCHUSRLQXCMFAI-OPRDCNLKSA-N 2 2 168.284 1.426 10 0 ADAELP C/C=C\CC[NH2+][C@H](C[NH3+])c1ccoc1 308394001 573496116 /nfs/dbraw/zinc/49/61/16/573496116.db2.gz UKYIWGOMVQYYKC-OTDNITJGSA-N 2 2 194.278 1.835 10 0 ADAELP CC(C)C[C@]1(C[NH+](C)C)CCC[NH2+]1 258691725 573495589 /nfs/dbraw/zinc/49/55/89/573495589.db2.gz MRLNIQRVQYYTNZ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP Cc1nc(C)c(C[NH2+]C[C@@H](C)[NH3+])s1 308393618 573495716 /nfs/dbraw/zinc/49/57/16/573495716.db2.gz BWXCGUBOEQARRO-ZCFIWIBFSA-N 2 2 199.323 1.197 10 0 ADAELP Cc1nc(C)c(C[NH2+]C[C@H](C)[NH3+])s1 308393615 573495822 /nfs/dbraw/zinc/49/58/22/573495822.db2.gz BWXCGUBOEQARRO-LURJTMIESA-N 2 2 199.323 1.197 10 0 ADAELP CCc1c[nH+]ccc1CC(C)(C)[NH3+] 259478635 573496066 /nfs/dbraw/zinc/49/60/66/573496066.db2.gz XEHDMVNKASUGLQ-UHFFFAOYSA-N 2 2 178.279 1.924 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CF)C1 308399309 573502966 /nfs/dbraw/zinc/50/29/66/573502966.db2.gz GGKJNEDEUQVZCZ-IVZWLZJFSA-N 2 2 188.290 1.274 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CF)C1 308399309 573502970 /nfs/dbraw/zinc/50/29/70/573502970.db2.gz GGKJNEDEUQVZCZ-IVZWLZJFSA-N 2 2 188.290 1.274 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc2ncoc2c1 259109919 573503160 /nfs/dbraw/zinc/50/31/60/573503160.db2.gz QXXCQZZWSPMCSU-VIFPVBQESA-N 2 2 191.234 1.047 10 0 ADAELP Nc1cc[nH+]c2c(C[NH3+])cccc12 257822011 573503353 /nfs/dbraw/zinc/50/33/53/573503353.db2.gz GAFIHFRYMNWCAP-UHFFFAOYSA-N 2 2 173.219 1.276 10 0 ADAELP C[NH2+]C[NH+]1CCCCCC1 258713521 573503436 /nfs/dbraw/zinc/50/34/36/573503436.db2.gz STEQWRNPGQLJHZ-UHFFFAOYSA-N 2 2 142.246 1.039 10 0 ADAELP C[C@@H]([NH3+])CCc1cc([NH3+])ccc1N 238419295 573503475 /nfs/dbraw/zinc/50/34/75/573503475.db2.gz FFOFAXKLOPUQID-SSDOTTSWSA-N 2 2 179.267 1.131 10 0 ADAELP Cc1ccc([C@H]([NH3+])C2([NH3+])CC2)c(C)c1 259479167 573504998 /nfs/dbraw/zinc/50/49/98/573504998.db2.gz PPYXZLLZLQWYAN-NSHDSACASA-N 2 2 190.290 1.795 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308396017 573505045 /nfs/dbraw/zinc/50/50/45/573505045.db2.gz DJIVUGZTINLSPF-URLYPYJESA-N 2 2 182.311 1.326 10 0 ADAELP Cc1ccc(C[NH2+]C(C)(C)C[NH3+])o1 258715443 573505352 /nfs/dbraw/zinc/50/53/52/573505352.db2.gz DBFDGGUKXOAUQP-UHFFFAOYSA-N 2 2 182.267 1.415 10 0 ADAELP CC[NH2+][C@H]1CCC[C@H](n2cc[nH+]c2)C1 86600578 573505395 /nfs/dbraw/zinc/50/53/95/573505395.db2.gz VUOKWOIECIFXDK-QWRGUYRKSA-N 2 2 193.294 1.976 10 0 ADAELP [NH3+][C@H](c1cccs1)[C@@H]1CCCC[NH2+]1 259525489 573606696 /nfs/dbraw/zinc/60/66/96/573606696.db2.gz WBILCDQAEDJXBE-WPRPVWTQSA-N 2 2 196.319 1.890 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]2CCCC[N@@H+]21 238419177 573507971 /nfs/dbraw/zinc/50/79/71/573507971.db2.gz CALBXQZBTPPTRJ-RKDXNWHRSA-N 2 2 154.257 1.180 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]2CCCC[N@H+]21 238419177 573507977 /nfs/dbraw/zinc/50/79/77/573507977.db2.gz CALBXQZBTPPTRJ-RKDXNWHRSA-N 2 2 154.257 1.180 10 0 ADAELP CSc1ccc(O)cc1[C@@H]([NH3+])C[NH3+] 238418887 573507993 /nfs/dbraw/zinc/50/79/93/573507993.db2.gz OKIDHDPBIJNVLW-QMMMGPOBSA-N 2 2 198.291 1.073 10 0 ADAELP C/C=C\CC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C 308609554 573507994 /nfs/dbraw/zinc/50/79/94/573507994.db2.gz QGEQACRVIJWRSN-XEGQIGPUSA-N 2 2 196.338 1.882 10 0 ADAELP C/C=C\CC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C 308609554 573507999 /nfs/dbraw/zinc/50/79/99/573507999.db2.gz QGEQACRVIJWRSN-XEGQIGPUSA-N 2 2 196.338 1.882 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@H](n2cc[nH+]c2)C1 86600572 573508201 /nfs/dbraw/zinc/50/82/01/573508201.db2.gz VUOKWOIECIFXDK-MNOVXSKESA-N 2 2 193.294 1.976 10 0 ADAELP CC(C)[NH2+]CC(C)(C)Cn1cc[nH+]c1 86595846 573508364 /nfs/dbraw/zinc/50/83/64/573508364.db2.gz ZAXFMCQGGDWUJE-UHFFFAOYSA-N 2 2 195.310 1.907 10 0 ADAELP C[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1 258728752 573514808 /nfs/dbraw/zinc/51/48/08/573514808.db2.gz JRLMBSWSKUMORE-QMMMGPOBSA-N 2 2 182.242 1.263 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(O)cc1 257824001 573514513 /nfs/dbraw/zinc/51/45/13/573514513.db2.gz GOIQBSIVHQWEHJ-JTQLQIEISA-N 2 2 180.251 1.002 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[C@@H](C)[NH3+])o1 259483455 573514661 /nfs/dbraw/zinc/51/46/61/573514661.db2.gz SMVQHGFVKGOLTI-SVRRBLITSA-N 2 2 168.240 1.325 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 235613428 573521409 /nfs/dbraw/zinc/52/14/09/573521409.db2.gz MAIVLFJUGBGYPH-QWRGUYRKSA-N 2 2 182.311 1.635 10 0 ADAELP Cc1[nH]c([C@H]2CSCC[NH2+]2)c[nH+]1 257827036 573521856 /nfs/dbraw/zinc/52/18/56/573521856.db2.gz HTEFCXMQGQRIGZ-MRVPVSSYSA-N 2 2 183.280 1.096 10 0 ADAELP C[C@H](C[NH3+])c1cn(C2CC2)c[nH+]1 107329094 573522575 /nfs/dbraw/zinc/52/25/75/573522575.db2.gz SZDHHWOBXISZLH-SSDOTTSWSA-N 2 2 165.240 1.280 10 0 ADAELP C[C@@H]([NH3+])C[C@@H]([NH3+])c1ccco1 238425633 573522747 /nfs/dbraw/zinc/52/27/47/573522747.db2.gz ZIZVDWYYQQBHPH-RNFRBKRXSA-N 2 2 154.213 1.017 10 0 ADAELP CC(C)n1cc[nH+]c1C[C@H](C)[NH3+] 107330675 573522750 /nfs/dbraw/zinc/52/27/50/573522750.db2.gz YDCQFFUVGGVPHL-QMMMGPOBSA-N 2 2 167.256 1.354 10 0 ADAELP CC(C)n1c[nH+]c(C[C@H](C)[NH3+])c1 107330554 573522781 /nfs/dbraw/zinc/52/27/81/573522781.db2.gz GKLXFWPNKWDPAL-QMMMGPOBSA-N 2 2 167.256 1.354 10 0 ADAELP CC(C)([NH3+])[C@H]([NH3+])c1cccs1 259130028 573609763 /nfs/dbraw/zinc/60/97/63/573609763.db2.gz CIEIWRYLXFWIRA-SSDOTTSWSA-N 2 2 170.281 1.485 10 0 ADAELP C[NH2+]C[C@@H]1CCCc2[nH+]c[nH]c21 107329185 573523820 /nfs/dbraw/zinc/52/38/20/573523820.db2.gz YVMRZGYPMCQGER-ZETCQYMHSA-N 2 2 165.240 1.049 10 0 ADAELP C[NH2+]C[C@@H]1CCCc2[nH]c[nH+]c21 107329185 573523823 /nfs/dbraw/zinc/52/38/23/573523823.db2.gz YVMRZGYPMCQGER-ZETCQYMHSA-N 2 2 165.240 1.049 10 0 ADAELP C[NH2+][C@@H]([NH+](C)C)C(C)(C)C 259489495 573523846 /nfs/dbraw/zinc/52/38/46/573523846.db2.gz LCJUVFFTEFTHKS-ZETCQYMHSA-N 2 2 144.262 1.140 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]2CCCC[N@H+]12 238432153 573523849 /nfs/dbraw/zinc/52/38/49/573523849.db2.gz LLKLOQZRAGHPMT-RKDXNWHRSA-N 2 2 154.257 1.180 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]2CCCC[N@@H+]12 238432153 573523857 /nfs/dbraw/zinc/52/38/57/573523857.db2.gz LLKLOQZRAGHPMT-RKDXNWHRSA-N 2 2 154.257 1.180 10 0 ADAELP CC1(C)CCc2[nH+]c[nH]c2[C@@H]1[NH3+] 107329180 573523858 /nfs/dbraw/zinc/52/38/58/573523858.db2.gz VVXZIAKSCZOSSH-QMMMGPOBSA-N 2 2 165.240 1.382 10 0 ADAELP [NH3+]CCc1[nH+]ccn1C1CCC1 107329292 573524122 /nfs/dbraw/zinc/52/41/22/573524122.db2.gz GJARZKMJHWMQNJ-UHFFFAOYSA-N 2 2 165.240 1.109 10 0 ADAELP CCc1[nH+]c(C2(C[NH2+]C)CC2)[nH]c1C 258747727 573527340 /nfs/dbraw/zinc/52/73/40/573527340.db2.gz QXYXPELMYWUAIM-UHFFFAOYSA-N 2 2 193.294 1.532 10 0 ADAELP CC(C)n1c[nH+]c(C[C@@H](C)[NH3+])c1 107330549 573526641 /nfs/dbraw/zinc/52/66/41/573526641.db2.gz GKLXFWPNKWDPAL-MRVPVSSYSA-N 2 2 167.256 1.354 10 0 ADAELP Cc1[nH]c([C@@H]2CSCC[NH2+]2)c[nH+]1 257827037 573526718 /nfs/dbraw/zinc/52/67/18/573526718.db2.gz HTEFCXMQGQRIGZ-QMMMGPOBSA-N 2 2 183.280 1.096 10 0 ADAELP CC1(C)CCc2[nH+]c[nH]c2[C@H]1[NH3+] 107329181 573526948 /nfs/dbraw/zinc/52/69/48/573526948.db2.gz VVXZIAKSCZOSSH-MRVPVSSYSA-N 2 2 165.240 1.382 10 0 ADAELP CC(C)n1c[nH+]c([C@H](C)C[NH3+])c1 107330560 573526963 /nfs/dbraw/zinc/52/69/63/573526963.db2.gz XIIWJWPKXLVZQT-MRVPVSSYSA-N 2 2 167.256 1.526 10 0 ADAELP CCc1[nH]c(C2(C[NH2+]C)CC2)[nH+]c1C 258747727 573527343 /nfs/dbraw/zinc/52/73/43/573527343.db2.gz QXYXPELMYWUAIM-UHFFFAOYSA-N 2 2 193.294 1.532 10 0 ADAELP CC(C)n1cc[nH+]c1C[C@@H](C)[NH3+] 107330670 573526483 /nfs/dbraw/zinc/52/64/83/573526483.db2.gz YDCQFFUVGGVPHL-MRVPVSSYSA-N 2 2 167.256 1.354 10 0 ADAELP [NH3+][C@H]1CCCC[C@]1([NH3+])c1ccccc1 224285599 573541960 /nfs/dbraw/zinc/54/19/60/573541960.db2.gz AQHKOJNNMBYCFJ-RYUDHWBXSA-N 2 2 190.290 1.742 10 0 ADAELP [NH3+]CCCc1c[nH+]cn1C(F)(F)F 107356077 573542030 /nfs/dbraw/zinc/54/20/30/573542030.db2.gz JLUSAAUHCUYATR-UHFFFAOYSA-N 2 2 193.172 1.251 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+](C)C1CCCC1 258769664 573544911 /nfs/dbraw/zinc/54/49/11/573544911.db2.gz HREWBMSWMNBBIY-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+](C)C1CCCC1 258769664 573544917 /nfs/dbraw/zinc/54/49/17/573544917.db2.gz HREWBMSWMNBBIY-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP [NH3+][C@H]1CCCC[C@@]1([NH3+])c1ccccc1 224285548 573544451 /nfs/dbraw/zinc/54/44/51/573544451.db2.gz AQHKOJNNMBYCFJ-NWDGAFQWSA-N 2 2 190.290 1.742 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(F)cc1F 259497622 573544777 /nfs/dbraw/zinc/54/47/77/573544777.db2.gz UGOUIIMGRQCLBN-SECBINFHSA-N 2 2 186.205 1.184 10 0 ADAELP C[C@H](C[NH3+])CCNc1cccc[nH+]1 258764403 573544857 /nfs/dbraw/zinc/54/48/57/573544857.db2.gz AHVDHRYXJYBPPJ-VIFPVBQESA-N 2 2 179.267 1.478 10 0 ADAELP Cc1[nH]c([C@H](C)C[NH3+])[nH+]c1CC(C)C 258771323 573555694 /nfs/dbraw/zinc/55/56/94/573555694.db2.gz UABLXEMMDWGZQG-MRVPVSSYSA-N 2 2 195.310 1.979 10 0 ADAELP Cc1[nH+]c([C@H](C)C[NH3+])[nH]c1CC(C)C 258771323 573555699 /nfs/dbraw/zinc/55/56/99/573555699.db2.gz UABLXEMMDWGZQG-MRVPVSSYSA-N 2 2 195.310 1.979 10 0 ADAELP CCc1ccc([C@@H]([NH2+]C)[C@H](C)[NH3+])cc1 259505718 573555743 /nfs/dbraw/zinc/55/57/43/573555743.db2.gz REYKNWXQNXBOTE-CABZTGNLSA-N 2 2 192.306 1.857 10 0 ADAELP [NH3+][C@H]1CCCC[C@H]1[NH+]1CC2(CC2)C1 86663187 573555763 /nfs/dbraw/zinc/55/57/63/573555763.db2.gz QIPWTFHPVBZLIG-VHSXEESVSA-N 2 2 180.295 1.352 10 0 ADAELP CCC1C[NH+](C[C@@H]2CCCC[NH2+]2)C1 86663214 573555895 /nfs/dbraw/zinc/55/58/95/573555895.db2.gz FRYWVGZZIXASJN-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CCC1C[NH+](C[C@H]2CCC[NH2+]2)C1 86663425 573556044 /nfs/dbraw/zinc/55/60/44/573556044.db2.gz LVZCVQZSRNVXQK-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP [NH3+]CC[NH+]1CC2(CCCCCC2)C1 86662932 573556088 /nfs/dbraw/zinc/55/60/88/573556088.db2.gz GHFRELVXFLXSBC-UHFFFAOYSA-N 2 2 182.311 1.601 10 0 ADAELP CC(C)(C)C1C[NH+]([C@H]2C[C@H]2[NH3+])C1 86662714 573556172 /nfs/dbraw/zinc/55/61/72/573556172.db2.gz VTNHKBPOZSTBHZ-BDAKNGLRSA-N 2 2 168.284 1.064 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CC2(CC2)C1 86663184 573556187 /nfs/dbraw/zinc/55/61/87/573556187.db2.gz QIPWTFHPVBZLIG-ZJUUUORDSA-N 2 2 180.295 1.352 10 0 ADAELP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC(C)=O 308623582 573567600 /nfs/dbraw/zinc/56/76/00/573567600.db2.gz VAHHTYVTTMVGIQ-NSHDSACASA-N 2 2 198.310 1.039 10 0 ADAELP CC[N@H+]1CCC[C@H]1C[NH2+]CCC(C)=O 308623582 573567606 /nfs/dbraw/zinc/56/76/06/573567606.db2.gz VAHHTYVTTMVGIQ-NSHDSACASA-N 2 2 198.310 1.039 10 0 ADAELP Cc1[nH+]c2cc([C@@H](C)[NH3+])ccc2n1C 75416858 573567121 /nfs/dbraw/zinc/56/71/21/573567121.db2.gz VXXDRKUEHHVITQ-SSDOTTSWSA-N 2 2 189.262 1.901 10 0 ADAELP [NH3+]CC[C@@H]1CCc2c[nH+]ccc21 107400946 573567257 /nfs/dbraw/zinc/56/72/57/573567257.db2.gz VTFRPHMXEGDMOD-QMMMGPOBSA-N 2 2 162.236 1.460 10 0 ADAELP [NH3+]C[C@@H]1CCCc2c[nH+]ccc21 107401071 573567292 /nfs/dbraw/zinc/56/72/92/573567292.db2.gz CQFWQMIMAQYJPD-QMMMGPOBSA-N 2 2 162.236 1.460 10 0 ADAELP C[NH2+][C@@H](c1cc[nH]c1)C(C)(C)[NH2+]C 259512094 573567353 /nfs/dbraw/zinc/56/73/53/573567353.db2.gz SVCAJONAQQYLIF-VIFPVBQESA-N 2 2 181.283 1.273 10 0 ADAELP CCCC[NH2+]CCc1c[nH]c[nH+]1 83610513 573567355 /nfs/dbraw/zinc/56/73/55/573567355.db2.gz YXGUJVQENAJZTJ-UHFFFAOYSA-N 2 2 167.256 1.342 10 0 ADAELP CCCC[NH2+]CCc1c[nH+]c[nH]1 83610513 573567360 /nfs/dbraw/zinc/56/73/60/573567360.db2.gz YXGUJVQENAJZTJ-UHFFFAOYSA-N 2 2 167.256 1.342 10 0 ADAELP CC(C)C[C@@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 82394881 573588902 /nfs/dbraw/zinc/58/89/02/573588902.db2.gz CLNMUPYECOXNEZ-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)C[C@@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 82394881 573588907 /nfs/dbraw/zinc/58/89/07/573588907.db2.gz CLNMUPYECOXNEZ-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP Cc1c[nH+]c(CCC(C)(C)[NH3+])[nH]1 259134434 573589160 /nfs/dbraw/zinc/58/91/60/573589160.db2.gz RHNASGUXQZAUHU-UHFFFAOYSA-N 2 2 167.256 1.388 10 0 ADAELP COc1ccc(C)cc1CC[NH2+]C[NH3+] 258788941 573592962 /nfs/dbraw/zinc/59/29/62/573592962.db2.gz CDXXVYXBSDYSCV-UHFFFAOYSA-N 2 2 194.278 1.052 10 0 ADAELP C[NH+](C)[C@H](c1cccnc1)C1([NH3+])CC1 259136451 573593254 /nfs/dbraw/zinc/59/32/54/573593254.db2.gz JXCQUIZTIUBKIY-SNVBAGLBSA-N 2 2 191.278 1.176 10 0 ADAELP CCCc1[nH+]c(CC(C)(C)[NH3+])[nH]c1C 258809154 573593398 /nfs/dbraw/zinc/59/33/98/573593398.db2.gz XOKATBLELDGHBZ-UHFFFAOYSA-N 2 2 195.310 1.950 10 0 ADAELP CCCc1[nH]c(CC(C)(C)[NH3+])[nH+]c1C 258809154 573593401 /nfs/dbraw/zinc/59/34/01/573593401.db2.gz XOKATBLELDGHBZ-UHFFFAOYSA-N 2 2 195.310 1.950 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700560 573597389 /nfs/dbraw/zinc/59/73/89/573597389.db2.gz PXNJLZQWGUHSBV-YFKTTZPYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 83700560 573597392 /nfs/dbraw/zinc/59/73/92/573597392.db2.gz PXNJLZQWGUHSBV-YFKTTZPYSA-N 2 2 196.338 1.987 10 0 ADAELP CC[C@]1(C[N@H+](C)CC2CC2)CCC[NH2+]1 215379936 573597272 /nfs/dbraw/zinc/59/72/72/573597272.db2.gz SYMAPBWCFDDCRK-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@]1(C[N@@H+](C)CC2CC2)CCC[NH2+]1 215379936 573597278 /nfs/dbraw/zinc/59/72/78/573597278.db2.gz SYMAPBWCFDDCRK-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1[nH+]cccc1N[C@@H]1CC[NH2+]C1 86730958 573597312 /nfs/dbraw/zinc/59/73/12/573597312.db2.gz ODXNELIKFOKXLN-SECBINFHSA-N 2 2 177.251 1.164 10 0 ADAELP CC[C@@H](C[NH3+])c1[nH]cc(C)[nH+]1 259139245 573599240 /nfs/dbraw/zinc/59/92/40/573599240.db2.gz ROULCSYVPQSZTM-ZETCQYMHSA-N 2 2 153.229 1.170 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@@H]1CCC[NH2+]C1 238457651 573599274 /nfs/dbraw/zinc/59/92/74/573599274.db2.gz DXIMESWOOPWHCP-SECBINFHSA-N 2 2 191.278 1.439 10 0 ADAELP C[C@@H]1CC[C@]([NH3+])(Cc2[nH+]ccn2C)C1 86750750 573599279 /nfs/dbraw/zinc/59/92/79/573599279.db2.gz OIBLKNBWDDJSRD-MWLCHTKSSA-N 2 2 193.294 1.480 10 0 ADAELP CCSCCn1c[nH+]c(CC[NH3+])c1 130493118 573599362 /nfs/dbraw/zinc/59/93/62/573599362.db2.gz RIJUYNQFIPIXGA-UHFFFAOYSA-N 2 2 199.323 1.137 10 0 ADAELP Cc1ccc(C)c2c1CC[C@@H]([NH3+])[C@@H]2[NH3+] 238457613 573599532 /nfs/dbraw/zinc/59/95/32/573599532.db2.gz XIKGEMRUEHEUIN-PWSUYJOCSA-N 2 2 190.290 1.577 10 0 ADAELP CC(C)([NH3+])CCCn1cc[nH+]c1 75555531 573613566 /nfs/dbraw/zinc/61/35/66/573613566.db2.gz PUBUYDJCYCYWND-UHFFFAOYSA-N 2 2 167.256 1.401 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 393542619 573613615 /nfs/dbraw/zinc/61/36/15/573613615.db2.gz FOTGTGPBLKERNS-GUBZILKMSA-N 2 2 188.290 1.417 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 393542619 573613621 /nfs/dbraw/zinc/61/36/21/573613621.db2.gz FOTGTGPBLKERNS-GUBZILKMSA-N 2 2 188.290 1.417 10 0 ADAELP C[NH2+]CC1(c2[nH]cc(C)[nH+]2)CCC1 259127293 573613048 /nfs/dbraw/zinc/61/30/48/573613048.db2.gz QLKBAPWBXAEIEV-UHFFFAOYSA-N 2 2 179.267 1.359 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 393542618 573613430 /nfs/dbraw/zinc/61/34/30/573613430.db2.gz FOTGTGPBLKERNS-AEJSXWLSSA-N 2 2 188.290 1.417 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 393542618 573613433 /nfs/dbraw/zinc/61/34/33/573613433.db2.gz FOTGTGPBLKERNS-AEJSXWLSSA-N 2 2 188.290 1.417 10 0 ADAELP CC[NH2+]C[C@@H]([NH2+]C)c1ccc(C)cc1 259529760 573617075 /nfs/dbraw/zinc/61/70/75/573617075.db2.gz UOXVDIAYQZYWTM-GFCCVEGCSA-N 2 2 192.306 1.865 10 0 ADAELP Cc1ccc2[nH+]c(CC[NH3+])c(C)n2c1 259530370 573621591 /nfs/dbraw/zinc/62/15/91/573621591.db2.gz BBMBQGREDPJBKR-UHFFFAOYSA-N 2 2 189.262 1.452 10 0 ADAELP CCC(CC)C[N@@H+]1CC[NH2+]C[C@@H](C)C1 130517382 573621654 /nfs/dbraw/zinc/62/16/54/573621654.db2.gz SMLJGFYXFFPHFW-LLVKDONJSA-N 2 2 198.354 1.964 10 0 ADAELP CCC(CC)C[N@H+]1CC[NH2+]C[C@@H](C)C1 130517382 573621657 /nfs/dbraw/zinc/62/16/57/573621657.db2.gz SMLJGFYXFFPHFW-LLVKDONJSA-N 2 2 198.354 1.964 10 0 ADAELP Cc1cccc2[nH+]c3n(c12)C[C@@H]([NH3+])C3 259530323 573622013 /nfs/dbraw/zinc/62/20/13/573622013.db2.gz BBFCWOJCEGBRNK-QMMMGPOBSA-N 2 2 187.246 1.228 10 0 ADAELP C[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H](C)[NH3+] 259530828 573622103 /nfs/dbraw/zinc/62/21/03/573622103.db2.gz STYACUSSGXYOJR-PWSUYJOCSA-N 2 2 192.306 1.911 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@@H+]1C 126662511 573625227 /nfs/dbraw/zinc/62/52/27/573625227.db2.gz QBAKKGMWQIWYLF-LPEHRKFASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@H+]1C 126662511 573625233 /nfs/dbraw/zinc/62/52/33/573625233.db2.gz QBAKKGMWQIWYLF-LPEHRKFASA-N 2 2 182.311 1.467 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H](C)[NH3+] 259530819 573625302 /nfs/dbraw/zinc/62/53/02/573625302.db2.gz STYACUSSGXYOJR-CMPLNLGQSA-N 2 2 192.306 1.911 10 0 ADAELP [NH3+][C@H](c1ccccc1F)C1([NH3+])CC1 259530938 573625371 /nfs/dbraw/zinc/62/53/71/573625371.db2.gz SUSCQWLECDCHQO-SECBINFHSA-N 2 2 180.226 1.317 10 0 ADAELP Cc1[nH]c(C)c(C[C@@H]2CC[NH2+]C2)[nH+]1 257834221 573625454 /nfs/dbraw/zinc/62/54/54/573625454.db2.gz KQHJLDJKLAUNOY-VIFPVBQESA-N 2 2 179.267 1.179 10 0 ADAELP Cc1[nH]c(C)c(C[C@H]2CC[NH2+]C2)[nH+]1 257834218 573625533 /nfs/dbraw/zinc/62/55/33/573625533.db2.gz KQHJLDJKLAUNOY-SECBINFHSA-N 2 2 179.267 1.179 10 0 ADAELP [NH3+][C@@H](c1ccccn1)[C@@H]1CCC[NH2+]C1 259133332 573625684 /nfs/dbraw/zinc/62/56/84/573625684.db2.gz CNUXQVIYTJXWFE-MWLCHTKSSA-N 2 2 191.278 1.081 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1coc2ccccc12 96554620 573625723 /nfs/dbraw/zinc/62/57/23/573625723.db2.gz SKZMFDYTRSUHHD-VIFPVBQESA-N 2 2 176.219 1.391 10 0 ADAELP C[C@@]([NH3+])(C[NH3+])c1ccc(F)c(F)c1 259133350 573625922 /nfs/dbraw/zinc/62/59/22/573625922.db2.gz SQPWHMPGANPZTE-SECBINFHSA-N 2 2 186.205 1.097 10 0 ADAELP [NH3+][C@H](c1ccccn1)[C@@H]1CCC[NH2+]C1 259133327 573627137 /nfs/dbraw/zinc/62/71/37/573627137.db2.gz CNUXQVIYTJXWFE-KOLCDFICSA-N 2 2 191.278 1.081 10 0 ADAELP C[C@]1(C[NH3+])[NH2+]CCc2ccccc21 238453481 573627581 /nfs/dbraw/zinc/62/75/81/573627581.db2.gz PTPLYUUWEXPQSE-LLVKDONJSA-N 2 2 176.263 1.006 10 0 ADAELP Cc1[nH+]c2cc(F)ccn2c1CC[NH3+] 259533491 573628281 /nfs/dbraw/zinc/62/82/81/573628281.db2.gz BHXGBCQPVFNZSQ-UHFFFAOYSA-N 2 2 193.225 1.283 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1coc2ccccc12 96554618 573628673 /nfs/dbraw/zinc/62/86/73/573628673.db2.gz SKZMFDYTRSUHHD-SECBINFHSA-N 2 2 176.219 1.391 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+]1CCC[C@H](C)C1 86808769 573629767 /nfs/dbraw/zinc/62/97/67/573629767.db2.gz SHFQHRXYGHDMEP-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+]1CCC[C@H](C)C1 86808769 573629773 /nfs/dbraw/zinc/62/97/73/573629773.db2.gz SHFQHRXYGHDMEP-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@](C)([NH3+])C[NH+]1CCSCC1 86808937 573629878 /nfs/dbraw/zinc/62/98/78/573629878.db2.gz NVKHYILHHBWLNJ-SECBINFHSA-N 2 2 188.340 1.163 10 0 ADAELP CC(C)=CC[NH2+]CC[N@H+]1CC[C@H](C)C1 308650197 573629926 /nfs/dbraw/zinc/62/99/26/573629926.db2.gz JYKMQPHTAOHIMK-LBPRGKRZSA-N 2 2 196.338 1.884 10 0 ADAELP CC(C)=CC[NH2+]CC[N@@H+]1CC[C@H](C)C1 308650197 573629929 /nfs/dbraw/zinc/62/99/29/573629929.db2.gz JYKMQPHTAOHIMK-LBPRGKRZSA-N 2 2 196.338 1.884 10 0 ADAELP CC[C@@](C)([NH3+])C[NH+]1CCCCCC1 86808776 573630098 /nfs/dbraw/zinc/63/00/98/573630098.db2.gz GIHJYSIOGUQDEQ-LLVKDONJSA-N 2 2 184.327 1.990 10 0 ADAELP CC(C)=CC[NH2+]CC[N@H+]1CC[C@@H](C)C1 308650196 573630149 /nfs/dbraw/zinc/63/01/49/573630149.db2.gz JYKMQPHTAOHIMK-GFCCVEGCSA-N 2 2 196.338 1.884 10 0 ADAELP CC(C)=CC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 308650196 573630155 /nfs/dbraw/zinc/63/01/55/573630155.db2.gz JYKMQPHTAOHIMK-GFCCVEGCSA-N 2 2 196.338 1.884 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1sccc1C 259133111 573630222 /nfs/dbraw/zinc/63/02/22/573630222.db2.gz CLZKFNAKCQWXQN-SSDOTTSWSA-N 2 2 170.281 1.276 10 0 ADAELP C[C@@H]1CC[C@@H](c2[nH]c(C[NH3+])c[nH+]2)C1 83790671 573632022 /nfs/dbraw/zinc/63/20/22/573632022.db2.gz JACVJHBRSAKPJH-HTQZYQBOSA-N 2 2 179.267 1.772 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+]1CCC[C@H](C)C1 86808767 573632069 /nfs/dbraw/zinc/63/20/69/573632069.db2.gz SHFQHRXYGHDMEP-QWRGUYRKSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+]1CCC[C@H](C)C1 86808767 573632074 /nfs/dbraw/zinc/63/20/74/573632074.db2.gz SHFQHRXYGHDMEP-QWRGUYRKSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+]1CCCC1(C)C 86810337 573631732 /nfs/dbraw/zinc/63/17/32/573631732.db2.gz GPAWBYWKDANDKU-NSHDSACASA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+]1CCCC1(C)C 86810337 573631737 /nfs/dbraw/zinc/63/17/37/573631737.db2.gz GPAWBYWKDANDKU-NSHDSACASA-N 2 2 184.327 1.988 10 0 ADAELP C[C@@H]1CC[C@H](c2[nH]c(C[NH3+])c[nH+]2)C1 83790664 573631899 /nfs/dbraw/zinc/63/18/99/573631899.db2.gz JACVJHBRSAKPJH-SFYZADRCSA-N 2 2 179.267 1.772 10 0 ADAELP Cc1[nH+]cccc1N[C@@H](C)CCC[NH3+] 308650801 573634419 /nfs/dbraw/zinc/63/44/19/573634419.db2.gz JZPYHTLPIJRFCW-VIFPVBQESA-N 2 2 193.294 1.929 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+]1CCCC[C@@H]1C 86808742 573634603 /nfs/dbraw/zinc/63/46/03/573634603.db2.gz CXPSRUHPOPTTJW-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+]1CCCC[C@@H]1C 86808742 573634607 /nfs/dbraw/zinc/63/46/07/573634607.db2.gz CXPSRUHPOPTTJW-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@H]1CC[C@H](c2[nH]c(C[NH3+])c[nH+]2)C1 83790667 573634627 /nfs/dbraw/zinc/63/46/27/573634627.db2.gz JACVJHBRSAKPJH-YUMQZZPRSA-N 2 2 179.267 1.772 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccc(C)cc1C 259147249 573635927 /nfs/dbraw/zinc/63/59/27/573635927.db2.gz DAPSYPANMUIPKF-LBPRGKRZSA-N 2 2 192.306 1.913 10 0 ADAELP C[C@H]1CCCn2c1c[nH+]c2C1C[NH2+]C1 257835072 573636030 /nfs/dbraw/zinc/63/60/30/573636030.db2.gz KOESZUIWMFBKKM-QMMMGPOBSA-N 2 2 191.278 1.467 10 0 ADAELP CCCc1[nH+]c([C@H]2CC[NH2+]C2)[nH]c1C 258504769 573636297 /nfs/dbraw/zinc/63/62/97/573636297.db2.gz FKLWMMMKNMYQBB-VIFPVBQESA-N 2 2 193.294 1.748 10 0 ADAELP CCCc1[nH]c([C@H]2CC[NH2+]C2)[nH+]c1C 258504769 573636299 /nfs/dbraw/zinc/63/62/99/573636299.db2.gz FKLWMMMKNMYQBB-VIFPVBQESA-N 2 2 193.294 1.748 10 0 ADAELP CC[C@H](C[NH2+]C)[C@@H]([NH3+])c1ccc(C)o1 259537325 573640280 /nfs/dbraw/zinc/64/02/80/573640280.db2.gz TYEKVIOLTDKLGO-MWLCHTKSSA-N 2 2 196.294 1.833 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C 308651473 573640405 /nfs/dbraw/zinc/64/04/05/573640405.db2.gz KSKZQNIZPBCGRX-USWWRNFRSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+]C[N@H+](C)CCC1CCCC1 258827306 573640524 /nfs/dbraw/zinc/64/05/24/573640524.db2.gz GTRKAZOPLSBLAU-UHFFFAOYSA-N 2 2 170.300 1.675 10 0 ADAELP C[NH2+]C[N@@H+](C)CCC1CCCC1 258827306 573640534 /nfs/dbraw/zinc/64/05/34/573640534.db2.gz GTRKAZOPLSBLAU-UHFFFAOYSA-N 2 2 170.300 1.675 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1cccc(O)c1 257845009 573640706 /nfs/dbraw/zinc/64/07/06/573640706.db2.gz NKEKALUCVXLZIU-NSHDSACASA-N 2 2 194.278 1.390 10 0 ADAELP C[NH2+]C[C@H](c1[nH]cc(C)[nH+]1)C(C)C 259145061 573640850 /nfs/dbraw/zinc/64/08/50/573640850.db2.gz SBXCULIJRDSJMY-VIFPVBQESA-N 2 2 181.283 1.677 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CCC1 308654439 573643549 /nfs/dbraw/zinc/64/35/49/573643549.db2.gz NDRZMSYUBYKYDN-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CCC1 308654439 573643557 /nfs/dbraw/zinc/64/35/57/573643557.db2.gz NDRZMSYUBYKYDN-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]([NH3+])c1ccc(-n2cc[nH+]c2)nc1 124794281 573642928 /nfs/dbraw/zinc/64/29/28/573642928.db2.gz VACAWVKAEKEYIG-QMMMGPOBSA-N 2 2 188.234 1.287 10 0 ADAELP CC1(C)CCC[C@@H](n2cc[nH+]c2)[C@H]1[NH3+] 86843261 573642930 /nfs/dbraw/zinc/64/29/30/573642930.db2.gz SVYVEGZBOZNHTD-NXEZZACHSA-N 2 2 193.294 1.962 10 0 ADAELP C[C@H]1CCn2c(c[nH+]c2C2C[NH2+]C2)C1 257838658 573642993 /nfs/dbraw/zinc/64/29/93/573642993.db2.gz LKOLMXCKIXXUHQ-QMMMGPOBSA-N 2 2 191.278 1.152 10 0 ADAELP C[C@H]([NH3+])c1nc([C@H]2CCC[N@@H+]2C)co1 257839574 573643010 /nfs/dbraw/zinc/64/30/10/573643010.db2.gz BIAOKIHZGGDUKD-IONNQARKSA-N 2 2 195.266 1.461 10 0 ADAELP C[C@H]([NH3+])c1nc([C@H]2CCC[N@H+]2C)co1 257839574 573643013 /nfs/dbraw/zinc/64/30/13/573643013.db2.gz BIAOKIHZGGDUKD-IONNQARKSA-N 2 2 195.266 1.461 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccc(CC)cc1 259149657 573643274 /nfs/dbraw/zinc/64/32/74/573643274.db2.gz DDCHIUZTVNDHFL-LBPRGKRZSA-N 2 2 192.306 1.858 10 0 ADAELP Cc1occc1C[N@@H+]1CCC[C@H]1C[NH3+] 238463422 573643290 /nfs/dbraw/zinc/64/32/90/573643290.db2.gz NNFXZIWWQHJZLY-NSHDSACASA-N 2 2 194.278 1.511 10 0 ADAELP Cc1occc1C[N@H+]1CCC[C@H]1C[NH3+] 238463422 573643294 /nfs/dbraw/zinc/64/32/94/573643294.db2.gz NNFXZIWWQHJZLY-NSHDSACASA-N 2 2 194.278 1.511 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccc(CC)cc1 259149655 573643321 /nfs/dbraw/zinc/64/33/21/573643321.db2.gz DDCHIUZTVNDHFL-GFCCVEGCSA-N 2 2 192.306 1.858 10 0 ADAELP Cc1occc1C[N@@H+]1CCC[C@@H]1C[NH3+] 238463373 573643499 /nfs/dbraw/zinc/64/34/99/573643499.db2.gz NNFXZIWWQHJZLY-LLVKDONJSA-N 2 2 194.278 1.511 10 0 ADAELP Cc1occc1C[N@H+]1CCC[C@@H]1C[NH3+] 238463373 573643504 /nfs/dbraw/zinc/64/35/04/573643504.db2.gz NNFXZIWWQHJZLY-LLVKDONJSA-N 2 2 194.278 1.511 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CCC1 308654441 573647193 /nfs/dbraw/zinc/64/71/93/573647193.db2.gz NDRZMSYUBYKYDN-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CCC1 308654441 573647198 /nfs/dbraw/zinc/64/71/98/573647198.db2.gz NDRZMSYUBYKYDN-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)c1[nH]c(C[C@@H]2CC[NH2+]C2)c[nH+]1 257840306 573647510 /nfs/dbraw/zinc/64/75/10/573647510.db2.gz LWTIQXFYACQHJQ-VIFPVBQESA-N 2 2 193.294 1.685 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCC2CC2)C[N@@H+]1C 126731634 573647558 /nfs/dbraw/zinc/64/75/58/573647558.db2.gz JVUGLVPNJOCIFR-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCC2CC2)C[N@H+]1C 126731634 573647566 /nfs/dbraw/zinc/64/75/66/573647566.db2.gz JVUGLVPNJOCIFR-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H](C)C[NH+]1CCC(C)(F)CC1 259541216 573647677 /nfs/dbraw/zinc/64/76/77/573647677.db2.gz BURPBFTVBNJKKZ-VIFPVBQESA-N 2 2 188.290 1.418 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1CCC(C)(F)CC1 259541212 573648762 /nfs/dbraw/zinc/64/87/62/573648762.db2.gz BURPBFTVBNJKKZ-SECBINFHSA-N 2 2 188.290 1.418 10 0 ADAELP CCCc1c[nH+]c(CC(C)(C)C[NH3+])[nH]1 259149990 573648998 /nfs/dbraw/zinc/64/89/98/573648998.db2.gz SPKZCTNAXROWOF-UHFFFAOYSA-N 2 2 195.310 1.890 10 0 ADAELP CCc1c[nH]c(CC(C)(C)[NH3+])[nH+]1 259152447 573649133 /nfs/dbraw/zinc/64/91/33/573649133.db2.gz SUZCQDJFXODWNI-UHFFFAOYSA-N 2 2 167.256 1.252 10 0 ADAELP CC[N@H+](C)[C@H](c1ccco1)[C@@H](C)[NH3+] 43334693 573649158 /nfs/dbraw/zinc/64/91/58/573649158.db2.gz BZADBMIMWNSBCF-SCZZXKLOSA-N 2 2 182.267 1.620 10 0 ADAELP [NH3+]C[C@H]1C2CC(C2)C[N@@H+]1C1CCCC1 257840328 573649163 /nfs/dbraw/zinc/64/91/63/573649163.db2.gz LXUVGYCRGNMRQP-CBINBANVSA-N 2 2 194.322 1.598 10 0 ADAELP [NH3+]C[C@H]1C2CC(C2)C[N@H+]1C1CCCC1 257840328 573649168 /nfs/dbraw/zinc/64/91/68/573649168.db2.gz LXUVGYCRGNMRQP-CBINBANVSA-N 2 2 194.322 1.598 10 0 ADAELP Cc1[nH+]c(C2CCC2)[nH]c1C1C[NH2+]C1 257840302 573649200 /nfs/dbraw/zinc/64/92/00/573649200.db2.gz LWLKCESGXAQDBJ-UHFFFAOYSA-N 2 2 191.278 1.672 10 0 ADAELP Cc1[nH]c(C2CCC2)[nH+]c1C1C[NH2+]C1 257840302 573649203 /nfs/dbraw/zinc/64/92/03/573649203.db2.gz LWLKCESGXAQDBJ-UHFFFAOYSA-N 2 2 191.278 1.672 10 0 ADAELP Cc1ccc(C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+])o1 308655697 573651565 /nfs/dbraw/zinc/65/15/65/573651565.db2.gz NJPZRHNBVKPYAR-ZJUUUORDSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccc(C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+])o1 308655697 573651572 /nfs/dbraw/zinc/65/15/72/573651572.db2.gz NJPZRHNBVKPYAR-ZJUUUORDSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1cc(NCCCC[NH3+])c[nH+]c1C 308656245 573651993 /nfs/dbraw/zinc/65/19/93/573651993.db2.gz NPZHMACGYIMMJF-UHFFFAOYSA-N 2 2 193.294 1.849 10 0 ADAELP C[NH+](C)C[C@]1(C2CCC2)CCCC[NH2+]1 258839382 573653004 /nfs/dbraw/zinc/65/30/04/573653004.db2.gz VEWLBMKAEDLCTC-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@H]1CCC[C@@H]1[NH3+] 238458288 573653150 /nfs/dbraw/zinc/65/31/50/573653150.db2.gz CYDVOVYBWUWPSW-SCZZXKLOSA-N 2 2 191.278 1.567 10 0 ADAELP Cc1ccc(C)c2[nH+]c(CC[NH3+])[nH]c12 238458163 573653186 /nfs/dbraw/zinc/65/31/86/573653186.db2.gz UZTDPMHEXYPLSX-UHFFFAOYSA-N 2 2 189.262 1.681 10 0 ADAELP C[NH2+]CC(C)(C)[NH2+]Cc1cc[nH]c1 258844079 573653347 /nfs/dbraw/zinc/65/33/47/573653347.db2.gz NCMUWAXDUKRMDK-UHFFFAOYSA-N 2 2 181.283 1.102 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)C[N@@H+]1C 126733993 573653483 /nfs/dbraw/zinc/65/34/83/573653483.db2.gz NXWRNTXQVIFBDR-SDDRHHMPSA-N 2 2 194.322 1.777 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H]2CC=CCC2)C[N@H+]1C 126733993 573653488 /nfs/dbraw/zinc/65/34/88/573653488.db2.gz NXWRNTXQVIFBDR-SDDRHHMPSA-N 2 2 194.322 1.777 10 0 ADAELP Cc1ccc(C[N@@H+](C)[C@H](C)[C@@H](C)[NH3+])o1 308655694 573653499 /nfs/dbraw/zinc/65/34/99/573653499.db2.gz NJPZRHNBVKPYAR-NXEZZACHSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccc(C[N@H+](C)[C@H](C)[C@@H](C)[NH3+])o1 308655694 573653501 /nfs/dbraw/zinc/65/35/01/573653501.db2.gz NJPZRHNBVKPYAR-NXEZZACHSA-N 2 2 196.294 1.756 10 0 ADAELP C[NH+](C)C[C@@]1(C2CCC2)CCCC[NH2+]1 258839378 573654879 /nfs/dbraw/zinc/65/48/79/573654879.db2.gz VEWLBMKAEDLCTC-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@H]1CCC[C@H]1[NH3+] 238458316 573655204 /nfs/dbraw/zinc/65/52/04/573655204.db2.gz CYDVOVYBWUWPSW-PSASIEDQSA-N 2 2 191.278 1.567 10 0 ADAELP CCCC(C)(C)C[NH2+]C[NH2+]C 258853783 573657202 /nfs/dbraw/zinc/65/72/02/573657202.db2.gz JHMYQKASNFEXOP-UHFFFAOYSA-N 2 2 158.289 1.579 10 0 ADAELP Cc1ccc(C)c2c1CC[C@@H]([NH3+])[C@H]2[NH3+] 238457943 573657226 /nfs/dbraw/zinc/65/72/26/573657226.db2.gz XIKGEMRUEHEUIN-ZYHUDNBSSA-N 2 2 190.290 1.577 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H]2CC=CCC2)C[N@@H+]1C 126733522 573657257 /nfs/dbraw/zinc/65/72/57/573657257.db2.gz NXWRNTXQVIFBDR-SRVKXCTJSA-N 2 2 194.322 1.777 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H]2CC=CCC2)C[N@H+]1C 126733522 573657264 /nfs/dbraw/zinc/65/72/64/573657264.db2.gz NXWRNTXQVIFBDR-SRVKXCTJSA-N 2 2 194.322 1.777 10 0 ADAELP C[NH2+][C@@H]1[C@H](n2cc[nH+]c2)CCC1(C)C 86856670 573657291 /nfs/dbraw/zinc/65/72/91/573657291.db2.gz DKGOXCCZIFXZCD-NXEZZACHSA-N 2 2 193.294 1.832 10 0 ADAELP C[N@H+](Cc1ccc[nH]1)C(C)(C)C[NH3+] 258850086 573657468 /nfs/dbraw/zinc/65/74/68/573657468.db2.gz NNUYOTILDFHZKG-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP C[N@@H+](Cc1ccc[nH]1)C(C)(C)C[NH3+] 258850086 573657476 /nfs/dbraw/zinc/65/74/76/573657476.db2.gz NNUYOTILDFHZKG-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP C[NH2+][C@@H]1[C@@H](n2cc[nH+]c2)CCC1(C)C 86856669 573657509 /nfs/dbraw/zinc/65/75/09/573657509.db2.gz DKGOXCCZIFXZCD-VHSXEESVSA-N 2 2 193.294 1.832 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1cc[nH]c1 259545683 573658917 /nfs/dbraw/zinc/65/89/17/573658917.db2.gz XGTRQBSFVDBXFF-MRVPVSSYSA-N 2 2 167.256 1.013 10 0 ADAELP CC1(C)CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 86866663 573658249 /nfs/dbraw/zinc/65/82/49/573658249.db2.gz YEFMHLNSBWDJKG-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 86866663 573658253 /nfs/dbraw/zinc/65/82/53/573658253.db2.gz YEFMHLNSBWDJKG-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CCc1[nH+]c(C(C)(C)C[NH3+])[nH]c1C 258509806 573658402 /nfs/dbraw/zinc/65/84/02/573658402.db2.gz FUJVDVSMDCFOMU-UHFFFAOYSA-N 2 2 181.283 1.517 10 0 ADAELP CCc1[nH]c(C(C)(C)C[NH3+])[nH+]c1C 258509806 573658407 /nfs/dbraw/zinc/65/84/07/573658407.db2.gz FUJVDVSMDCFOMU-UHFFFAOYSA-N 2 2 181.283 1.517 10 0 ADAELP CC(C)c1cn2c([nH+]1)[C@H](C)C[C@H]([NH3+])C2 107827801 573658522 /nfs/dbraw/zinc/65/85/22/573658522.db2.gz SNHRBWRXOBNFGQ-BDAKNGLRSA-N 2 2 193.294 1.841 10 0 ADAELP C[NH2+]C[C@H]1Cc2cc(C)ccc2C[NH2+]1 257842761 573658688 /nfs/dbraw/zinc/65/86/88/573658688.db2.gz MRHIRSJLGVLJFT-GFCCVEGCSA-N 2 2 190.290 1.229 10 0 ADAELP [NH3+][C@H](c1ccncc1)[C@H]1CCCC[NH2+]1 259545504 573658736 /nfs/dbraw/zinc/65/87/36/573658736.db2.gz XFLIGVQZXHJTPJ-GHMZBOCLSA-N 2 2 191.278 1.224 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1cc[nH]c1 259545687 573658763 /nfs/dbraw/zinc/65/87/63/573658763.db2.gz XGTRQBSFVDBXFF-QMMMGPOBSA-N 2 2 167.256 1.013 10 0 ADAELP [NH3+][C@@H](c1ccncc1)[C@H]1CCCC[NH2+]1 259545509 573658807 /nfs/dbraw/zinc/65/88/07/573658807.db2.gz XFLIGVQZXHJTPJ-MNOVXSKESA-N 2 2 191.278 1.224 10 0 ADAELP CC(C)([NH3+])CCNc1cccc[nH+]1 258849546 573659633 /nfs/dbraw/zinc/65/96/33/573659633.db2.gz XGTFIMPHUKILJY-UHFFFAOYSA-N 2 2 179.267 1.621 10 0 ADAELP [NH3+][C@H](c1ccncc1)[C@@H]1CCCC[NH2+]1 259545515 573658976 /nfs/dbraw/zinc/65/89/76/573658976.db2.gz XFLIGVQZXHJTPJ-WDEREUQCSA-N 2 2 191.278 1.224 10 0 ADAELP CC(C)c1cn2c([nH+]1)[C@H](C)C[C@@H]([NH3+])C2 107827806 573662711 /nfs/dbraw/zinc/66/27/11/573662711.db2.gz SNHRBWRXOBNFGQ-RKDXNWHRSA-N 2 2 193.294 1.841 10 0 ADAELP C[N@@H+]1CCC[C@H]1c1csc(C[NH3+])n1 257843682 573662714 /nfs/dbraw/zinc/66/27/14/573662714.db2.gz CMFUGPMPILQVAO-QMMMGPOBSA-N 2 2 197.307 1.369 10 0 ADAELP C[N@H+]1CCC[C@H]1c1csc(C[NH3+])n1 257843682 573662716 /nfs/dbraw/zinc/66/27/16/573662716.db2.gz CMFUGPMPILQVAO-QMMMGPOBSA-N 2 2 197.307 1.369 10 0 ADAELP CC(C)C(C)(C)C[NH2+]C[NH3+] 258864916 573663479 /nfs/dbraw/zinc/66/34/79/573663479.db2.gz KKKLYACGIYFHKZ-UHFFFAOYSA-N 2 2 144.262 1.174 10 0 ADAELP Cc1cccc(CC[NH2+]C[NH3+])c1 258857519 573665759 /nfs/dbraw/zinc/66/57/59/573665759.db2.gz JQKZNQCKLSJFCZ-UHFFFAOYSA-N 2 2 164.252 1.043 10 0 ADAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[NH+](C)C 43353097 573667523 /nfs/dbraw/zinc/66/75/23/573667523.db2.gz QJZGTVFPLAPZJZ-MNOVXSKESA-N 2 2 193.294 1.422 10 0 ADAELP C[C@H]1C[C@H](c2ccccc2)[NH2+]CC[NH2+]1 238474365 573667707 /nfs/dbraw/zinc/66/77/07/573667707.db2.gz JMGBKHXHMLUXEJ-CMPLNLGQSA-N 2 2 190.290 1.699 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CCC(F)(F)C1 393588118 573667320 /nfs/dbraw/zinc/66/73/20/573667320.db2.gz YIMDQEACWATTGW-MRVPVSSYSA-N 2 2 192.253 1.325 10 0 ADAELP Cc1cc[nH+]c(NCc2c[nH+]c[nH]2)c1 83824180 573667789 /nfs/dbraw/zinc/66/77/89/573667789.db2.gz HODINAABNQZWDI-UHFFFAOYSA-N 2 2 188.234 1.725 10 0 ADAELP Cc1cc[nH+]c(NCc2c[nH]c[nH+]2)c1 83824180 573667797 /nfs/dbraw/zinc/66/77/97/573667797.db2.gz HODINAABNQZWDI-UHFFFAOYSA-N 2 2 188.234 1.725 10 0 ADAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccncc1 43352945 573667986 /nfs/dbraw/zinc/66/79/86/573667986.db2.gz NAZXAFMBYBWYPK-NSHDSACASA-N 2 2 193.294 1.422 10 0 ADAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccncc1 43352945 573667992 /nfs/dbraw/zinc/66/79/92/573667992.db2.gz NAZXAFMBYBWYPK-NSHDSACASA-N 2 2 193.294 1.422 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CCC(F)(F)C1 393588120 573668453 /nfs/dbraw/zinc/66/84/53/573668453.db2.gz YIMDQEACWATTGW-QMMMGPOBSA-N 2 2 192.253 1.325 10 0 ADAELP C[C@H]1CCCC[C@H]1[N@H+](C)CC1([NH3+])CC1 83837185 573675641 /nfs/dbraw/zinc/67/56/41/573675641.db2.gz HDBBOLIVXSGJHG-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCCC[C@H]1[N@@H+](C)CC1([NH3+])CC1 83837185 573675645 /nfs/dbraw/zinc/67/56/45/573675645.db2.gz HDBBOLIVXSGJHG-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+]CNc1ccc2c(c1)[nH+]cn2C 258868875 573675856 /nfs/dbraw/zinc/67/58/56/573675856.db2.gz KSZNWAMJWTWBAS-UHFFFAOYSA-N 2 2 190.250 1.162 10 0 ADAELP CCCc1c[nH]c([C@@H](CC)C[NH3+])[nH+]1 259154880 573675866 /nfs/dbraw/zinc/67/58/66/573675866.db2.gz SYJQOZXPKPGOBE-QMMMGPOBSA-N 2 2 181.283 1.815 10 0 ADAELP C[N@H+](Cc1ccccc1)CC1([NH3+])CC1 83836615 573676085 /nfs/dbraw/zinc/67/60/85/573676085.db2.gz GKWSBWCSWHDXPR-UHFFFAOYSA-N 2 2 190.290 1.610 10 0 ADAELP C[N@@H+](Cc1ccccc1)CC1([NH3+])CC1 83836615 573676092 /nfs/dbraw/zinc/67/60/92/573676092.db2.gz GKWSBWCSWHDXPR-UHFFFAOYSA-N 2 2 190.290 1.610 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccn1 258870397 573676109 /nfs/dbraw/zinc/67/61/09/573676109.db2.gz CWRMFGPWYCYPFT-WDEREUQCSA-N 2 2 191.278 1.051 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccn1 258870335 573676122 /nfs/dbraw/zinc/67/61/22/573676122.db2.gz CWRMFGPWYCYPFT-GHMZBOCLSA-N 2 2 191.278 1.051 10 0 ADAELP CC[NH2+][C@@H](C)[C@H](C)[N@H+](C)CCCF 716755980 573676132 /nfs/dbraw/zinc/67/61/32/573676132.db2.gz GGZAMHDQKZVIIN-UWVGGRQHSA-N 2 2 190.306 1.664 10 0 ADAELP CC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)CCCF 716755980 573676138 /nfs/dbraw/zinc/67/61/38/573676138.db2.gz GGZAMHDQKZVIIN-UWVGGRQHSA-N 2 2 190.306 1.664 10 0 ADAELP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1([NH3+])CC1 83837180 573678973 /nfs/dbraw/zinc/67/89/73/573678973.db2.gz HDBBOLIVXSGJHG-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1([NH3+])CC1 83837180 573678983 /nfs/dbraw/zinc/67/89/83/573678983.db2.gz HDBBOLIVXSGJHG-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP [NH3+]C1(C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 83837600 573679159 /nfs/dbraw/zinc/67/91/59/573679159.db2.gz FTWVAHLALLQYBU-GHMZBOCLSA-N 2 2 194.322 1.742 10 0 ADAELP [NH3+]C1(C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 83837600 573679165 /nfs/dbraw/zinc/67/91/65/573679165.db2.gz FTWVAHLALLQYBU-GHMZBOCLSA-N 2 2 194.322 1.742 10 0 ADAELP CC[C@H](Cc1c[nH]c[nH+]1)[NH+]1CCCC1 308413975 573679251 /nfs/dbraw/zinc/67/92/51/573679251.db2.gz NENUIRQJLXCLJP-LLVKDONJSA-N 2 2 193.294 1.827 10 0 ADAELP CC[NH2+]C[C@@H]([NH2+]C)c1ccccc1C 259156843 573681469 /nfs/dbraw/zinc/68/14/69/573681469.db2.gz CSOWTUBVOXGTLD-GFCCVEGCSA-N 2 2 192.306 1.865 10 0 ADAELP CC[N@H+](C)CC[NH2+]CC1CCC1 83838696 573681517 /nfs/dbraw/zinc/68/15/17/573681517.db2.gz VVLMTIWWZCWJQQ-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CC[N@@H+](C)CC[NH2+]CC1CCC1 83838696 573681525 /nfs/dbraw/zinc/68/15/25/573681525.db2.gz VVLMTIWWZCWJQQ-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP C[C@@H](C1CCC1)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 108005028 573681604 /nfs/dbraw/zinc/68/16/04/573681604.db2.gz LMASIBQBVLMJNQ-SCVCMEIPSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H](C1CCC1)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 108005028 573681611 /nfs/dbraw/zinc/68/16/11/573681611.db2.gz LMASIBQBVLMJNQ-SCVCMEIPSA-N 2 2 196.338 1.844 10 0 ADAELP [NH3+]CCc1c[nH+]c([C@@H]2CCSC2)[nH]1 258091336 573681746 /nfs/dbraw/zinc/68/17/46/573681746.db2.gz NBPVBNGJXGLSQP-SSDOTTSWSA-N 2 2 197.307 1.131 10 0 ADAELP [NH3+]CCc1c[nH]c([C@@H]2CCSC2)[nH+]1 258091336 573681752 /nfs/dbraw/zinc/68/17/52/573681752.db2.gz NBPVBNGJXGLSQP-SSDOTTSWSA-N 2 2 197.307 1.131 10 0 ADAELP C[NH2+]CC1(CNc2cccc[nH+]2)CC1 258865868 573682026 /nfs/dbraw/zinc/68/20/26/573682026.db2.gz HLPBGGGKSQIUMH-UHFFFAOYSA-N 2 2 191.278 1.493 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)[C@H]1C 393547984 573685416 /nfs/dbraw/zinc/68/54/16/573685416.db2.gz PFDDUQWMGIGNLT-ZRUFSTJUSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@@H+]1CC1CCC1 83842257 573685439 /nfs/dbraw/zinc/68/54/39/573685439.db2.gz SINSWIYNAIFOIP-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@H+]1CC1CCC1 83842257 573685442 /nfs/dbraw/zinc/68/54/42/573685442.db2.gz SINSWIYNAIFOIP-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)([NH3+])[C@H]([NH3+])c1ccc(F)cc1 259157379 573685550 /nfs/dbraw/zinc/68/55/50/573685550.db2.gz DKJGNURBCBMDTR-SECBINFHSA-N 2 2 182.242 1.563 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc2c(c1)CCC2 259556446 573685676 /nfs/dbraw/zinc/68/56/76/573685676.db2.gz XUELWAZTXZEVMN-LBPRGKRZSA-N 2 2 190.290 1.395 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@@H+]1CC1CCC1 83842261 573685731 /nfs/dbraw/zinc/68/57/31/573685731.db2.gz FIULHRLGGAGHCO-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@H+]1CC1CCC1 83842261 573685738 /nfs/dbraw/zinc/68/57/38/573685738.db2.gz FIULHRLGGAGHCO-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP Cc1ccsc1[C@@H]([NH3+])[C@@H]1CCC[NH2+]1 259157334 573685848 /nfs/dbraw/zinc/68/58/48/573685848.db2.gz DJRXSZRZHLYQMA-IUCAKERBSA-N 2 2 196.319 1.808 10 0 ADAELP Cc1ccsc1[C@H]([NH3+])[C@@H]1CCC[NH2+]1 259157332 573687482 /nfs/dbraw/zinc/68/74/82/573687482.db2.gz DJRXSZRZHLYQMA-DTWKUNHWSA-N 2 2 196.319 1.808 10 0 ADAELP CC(C)([NH3+])C[NH2+]CC=C(Cl)Cl 407128898 573690821 /nfs/dbraw/zinc/69/08/21/573690821.db2.gz OCVNOUMKSDESMR-UHFFFAOYSA-N 2 2 197.109 1.632 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@@H]2CCC[NH2+]C2)o1 259160290 573691016 /nfs/dbraw/zinc/69/10/16/573691016.db2.gz DMSDSHTWSIOYQA-KOLCDFICSA-N 2 2 194.278 1.587 10 0 ADAELP CC(C)([NH3+])Cc1[nH]cc(C(C)(C)C)[nH+]1 259164380 573691080 /nfs/dbraw/zinc/69/10/80/573691080.db2.gz URLKTEVLCBDSKA-UHFFFAOYSA-N 2 2 195.310 1.987 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccc(OC)cc1 259160484 573691091 /nfs/dbraw/zinc/69/10/91/573691091.db2.gz DOGBSRXOVWLRCJ-NSHDSACASA-N 2 2 194.278 1.305 10 0 ADAELP CCC[N@@H+]1CC[NH+]2CCC1CC2 224979120 573691132 /nfs/dbraw/zinc/69/11/32/573691132.db2.gz PJXVEGJYPOGBJU-UHFFFAOYSA-N 2 2 168.284 1.176 10 0 ADAELP CCC[N@H+]1CC[NH+]2CCC1CC2 224979120 573691137 /nfs/dbraw/zinc/69/11/37/573691137.db2.gz PJXVEGJYPOGBJU-UHFFFAOYSA-N 2 2 168.284 1.176 10 0 ADAELP COc1cc[nH+]cc1[C@H](F)CC[NH3+] 393550764 573692380 /nfs/dbraw/zinc/69/23/80/573692380.db2.gz RBJIUJZLXUDGJA-MRVPVSSYSA-N 2 2 184.214 1.450 10 0 ADAELP C[NH+](C)[C@@H](c1cc[nH]c1)C1([NH3+])CC1 259161159 573692106 /nfs/dbraw/zinc/69/21/06/573692106.db2.gz LSHMLZBXVBRRJL-VIFPVBQESA-N 2 2 179.267 1.109 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@H]2CCC[NH2+]C2)o1 259160295 573692230 /nfs/dbraw/zinc/69/22/30/573692230.db2.gz DMSDSHTWSIOYQA-ONGXEEELSA-N 2 2 194.278 1.587 10 0 ADAELP CC(C)(C)c1c[nH]c([C@@H]2CC[NH2+]C2)[nH+]1 83871099 573692364 /nfs/dbraw/zinc/69/23/64/573692364.db2.gz FRPFWLCARWUZKS-MRVPVSSYSA-N 2 2 193.294 1.784 10 0 ADAELP C[NH2+]C[N@@H+](C)CCC1CCC1 258881512 573693200 /nfs/dbraw/zinc/69/32/00/573693200.db2.gz MALLWJGEQPIQBV-UHFFFAOYSA-N 2 2 156.273 1.285 10 0 ADAELP Cc1cc2c(cc1C)[C@H]([NH3+])[C@@H]([NH3+])CC2 238480917 573693334 /nfs/dbraw/zinc/69/33/34/573693334.db2.gz CHSWHCZPZXPYSL-RYUDHWBXSA-N 2 2 190.290 1.577 10 0 ADAELP CC[C@H](C)[N@H+](C)C[C@@](C)([NH3+])C1CC1 224925670 573694649 /nfs/dbraw/zinc/69/46/49/573694649.db2.gz ZKRTWPKSFBWCLR-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[N@@H+](C)C[C@@](C)([NH3+])C1CC1 224925670 573694656 /nfs/dbraw/zinc/69/46/56/573694656.db2.gz ZKRTWPKSFBWCLR-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccc(OC)cc1 259160483 573694731 /nfs/dbraw/zinc/69/47/31/573694731.db2.gz DOGBSRXOVWLRCJ-LLVKDONJSA-N 2 2 194.278 1.305 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CC1)c1ccc(O)cc1 258086347 573694791 /nfs/dbraw/zinc/69/47/91/573694791.db2.gz DDTVODZSYJFKOI-LLVKDONJSA-N 2 2 192.262 1.144 10 0 ADAELP Cc1cc2c(o1)CCC[N@H+](CC[NH3+])C2 238481505 573694872 /nfs/dbraw/zinc/69/48/72/573694872.db2.gz VOUZCJLXVCRLLS-UHFFFAOYSA-N 2 2 194.278 1.295 10 0 ADAELP Cc1cc2c(o1)CCC[N@@H+](CC[NH3+])C2 238481505 573694875 /nfs/dbraw/zinc/69/48/75/573694875.db2.gz VOUZCJLXVCRLLS-UHFFFAOYSA-N 2 2 194.278 1.295 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CC1)c1ccc(O)cc1 258086352 573694957 /nfs/dbraw/zinc/69/49/57/573694957.db2.gz DDTVODZSYJFKOI-NSHDSACASA-N 2 2 192.262 1.144 10 0 ADAELP CCC[N@@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929522 573696109 /nfs/dbraw/zinc/69/61/09/573696109.db2.gz UTGUQCZEFBEUDG-GFCCVEGCSA-N 2 2 196.338 1.957 10 0 ADAELP CCC[N@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929522 573696110 /nfs/dbraw/zinc/69/61/10/573696110.db2.gz UTGUQCZEFBEUDG-GFCCVEGCSA-N 2 2 196.338 1.957 10 0 ADAELP CCC[NH+]1CCC[N@@H+]2CCCC[C@@H]2C1 86929522 573696118 /nfs/dbraw/zinc/69/61/18/573696118.db2.gz UTGUQCZEFBEUDG-GFCCVEGCSA-N 2 2 196.338 1.957 10 0 ADAELP CCC[NH+]1CCC[N@H+]2CCCC[C@@H]2C1 86929522 573696119 /nfs/dbraw/zinc/69/61/19/573696119.db2.gz UTGUQCZEFBEUDG-GFCCVEGCSA-N 2 2 196.338 1.957 10 0 ADAELP [NH3+][C@H](C[C@@H]1CCC[NH2+]1)c1ccccn1 259168486 573696298 /nfs/dbraw/zinc/69/62/98/573696298.db2.gz DVEGRZHXNYFHMR-VHSXEESVSA-N 2 2 191.278 1.224 10 0 ADAELP C[NH2+][C@H](C[NH2+]C(C)C)c1cc[nH]c1 259168953 573696392 /nfs/dbraw/zinc/69/63/92/573696392.db2.gz DFBXDYDPWZCOFO-SNVBAGLBSA-N 2 2 181.283 1.273 10 0 ADAELP CC[N@@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929489 573696395 /nfs/dbraw/zinc/69/63/95/573696395.db2.gz CLEHODCQROOSND-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP CC[N@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929489 573696401 /nfs/dbraw/zinc/69/64/01/573696401.db2.gz CLEHODCQROOSND-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP CC[NH+]1CCC[N@@H+]2CCCC[C@@H]2C1 86929489 573696405 /nfs/dbraw/zinc/69/64/05/573696405.db2.gz CLEHODCQROOSND-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP CC[NH+]1CCC[N@H+]2CCCC[C@@H]2C1 86929489 573696409 /nfs/dbraw/zinc/69/64/09/573696409.db2.gz CLEHODCQROOSND-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP CC[NH+](CC)CCC[N@H+](C)CCF 393550609 573696524 /nfs/dbraw/zinc/69/65/24/573696524.db2.gz DLZYMUAJVQPZJM-UHFFFAOYSA-N 2 2 190.306 1.620 10 0 ADAELP CC[NH+](CC)CCC[N@@H+](C)CCF 393550609 573696531 /nfs/dbraw/zinc/69/65/31/573696531.db2.gz DLZYMUAJVQPZJM-UHFFFAOYSA-N 2 2 190.306 1.620 10 0 ADAELP CC[NH2+]CC[N@H+](C)CCc1ccc[nH]1 258885661 573696556 /nfs/dbraw/zinc/69/65/56/573696556.db2.gz KVISOSFCTXDFFY-UHFFFAOYSA-N 2 2 195.310 1.099 10 0 ADAELP CC[NH2+]CC[N@@H+](C)CCc1ccc[nH]1 258885661 573696561 /nfs/dbraw/zinc/69/65/61/573696561.db2.gz KVISOSFCTXDFFY-UHFFFAOYSA-N 2 2 195.310 1.099 10 0 ADAELP CC[NH2+][C@@H](CCCCF)C[NH+](C)C 393552540 573702372 /nfs/dbraw/zinc/70/23/72/573702372.db2.gz ITXWCOMRWLPWOV-JTQLQIEISA-N 2 2 190.306 1.666 10 0 ADAELP C[C@@H]1C[N@H+](CCC2CC2)[C@H](C)CC[NH2+]1 83940905 573702787 /nfs/dbraw/zinc/70/27/87/573702787.db2.gz FHFNHPXBEHCKBL-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@@H+](CCC2CC2)[C@H](C)CC[NH2+]1 83940905 573702791 /nfs/dbraw/zinc/70/27/91/573702791.db2.gz FHFNHPXBEHCKBL-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C1CCC[N@@H+]2CCC[NH2+][C@@H]2CC1 238013840 573703631 /nfs/dbraw/zinc/70/36/31/573703631.db2.gz PNKWEJZYXZWPJO-JTQLQIEISA-N 2 2 168.284 1.572 10 0 ADAELP C1CCC[N@H+]2CCC[NH2+][C@@H]2CC1 238013840 573703638 /nfs/dbraw/zinc/70/36/38/573703638.db2.gz PNKWEJZYXZWPJO-JTQLQIEISA-N 2 2 168.284 1.572 10 0 ADAELP C[C@]([NH3+])(C[NH2+]Cc1ccoc1)C1CC1 130762938 573704107 /nfs/dbraw/zinc/70/41/07/573704107.db2.gz XABQMCMHIYMOTN-NSHDSACASA-N 2 2 194.278 1.497 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1ccc(F)cc1 259176912 573704175 /nfs/dbraw/zinc/70/41/75/573704175.db2.gz FCOSSFCEKVPSRA-JTQLQIEISA-N 2 2 196.269 1.824 10 0 ADAELP Cc1cc(C[NH3+])cc2[nH]c[nH+]c12 238484160 573704197 /nfs/dbraw/zinc/70/41/97/573704197.db2.gz HHTWMUIZXAEREO-UHFFFAOYSA-N 2 2 161.208 1.330 10 0 ADAELP C[C@H]1C[N@H+](CCC2CC2)[C@@H](C)CC[NH2+]1 83940911 573704344 /nfs/dbraw/zinc/70/43/44/573704344.db2.gz FHFNHPXBEHCKBL-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@@H+](CCC2CC2)[C@@H](C)CC[NH2+]1 83940911 573704349 /nfs/dbraw/zinc/70/43/49/573704349.db2.gz FHFNHPXBEHCKBL-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCc1[nH+]cc([C@@H](C)[NH3+])n1C 108250290 573705746 /nfs/dbraw/zinc/70/57/46/573705746.db2.gz WWWDFNSVQVRNGV-ZCFIWIBFSA-N 2 2 153.229 1.002 10 0 ADAELP CCC[C@H]([NH3+])C[NH2+]Cc1ccoc1 130770603 573705781 /nfs/dbraw/zinc/70/57/81/573705781.db2.gz RKNCQGXYLQIIDH-JTQLQIEISA-N 2 2 182.267 1.497 10 0 ADAELP CCc1[nH+]cc([C@H](C)[NH3+])n1C 108250293 573705839 /nfs/dbraw/zinc/70/58/39/573705839.db2.gz WWWDFNSVQVRNGV-LURJTMIESA-N 2 2 153.229 1.002 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@@H+]1CCC1CC1 83940906 573706227 /nfs/dbraw/zinc/70/62/27/573706227.db2.gz FHFNHPXBEHCKBL-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@H+]1CCC1CC1 83940906 573706230 /nfs/dbraw/zinc/70/62/30/573706230.db2.gz FHFNHPXBEHCKBL-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CCCc1[nH+]cc([C@@H](C)[NH3+])n1C 108250303 573706348 /nfs/dbraw/zinc/70/63/48/573706348.db2.gz CDRDWCQVUICGGB-SSDOTTSWSA-N 2 2 167.256 1.392 10 0 ADAELP CC(C)([NH3+])C[NH2+]Cc1ccoc1 130789400 573710684 /nfs/dbraw/zinc/71/06/84/573710684.db2.gz JZIZEAIEKUUTEJ-UHFFFAOYSA-N 2 2 168.240 1.107 10 0 ADAELP CC[C@@H](C)[C@@H]([NH3+])C[NH2+]Cc1ccoc1 130788955 573710711 /nfs/dbraw/zinc/71/07/11/573710711.db2.gz RRAOJJYXCGRRAH-KOLCDFICSA-N 2 2 196.294 1.743 10 0 ADAELP CC[NH2+]CC[NH+]1CCC2(CCC2)CC1 308693377 573710785 /nfs/dbraw/zinc/71/07/85/573710785.db2.gz IYYMGVAUTPWJHF-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP C[NH2+][C@H](c1ccc(C)o1)[C@@H](C)[NH3+] 259561486 573711277 /nfs/dbraw/zinc/71/12/77/573711277.db2.gz VBKRJBVDZOTRJM-APPZFPTMSA-N 2 2 168.240 1.196 10 0 ADAELP C[C@H]([NH3+])c1ccccc1N1C=[NH+]CC1 108268013 573713409 /nfs/dbraw/zinc/71/34/09/573713409.db2.gz MMLJNBWTZLNLED-VIFPVBQESA-N 2 2 189.262 1.555 10 0 ADAELP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)co1 130799755 573713793 /nfs/dbraw/zinc/71/37/93/573713793.db2.gz YQZMNHXUNLEEJQ-JTQLQIEISA-N 2 2 180.251 1.121 10 0 ADAELP Cc1[nH]c(C[NH2+]CCCC2CC2)c[nH+]1 124956353 573719138 /nfs/dbraw/zinc/71/91/38/573719138.db2.gz WLDWIJWOJYZEAC-UHFFFAOYSA-N 2 2 193.294 1.998 10 0 ADAELP Cc1[nH]c([C@H]2CC[NH2+]C2)[nH+]c1C1CC1 257856883 573721458 /nfs/dbraw/zinc/72/14/58/573721458.db2.gz QCZJWSXKAJDOEH-VIFPVBQESA-N 2 2 191.278 1.672 10 0 ADAELP Cc1[nH+]c([C@H]2CC[NH2+]C2)[nH]c1C1CC1 257856883 573721464 /nfs/dbraw/zinc/72/14/64/573721464.db2.gz QCZJWSXKAJDOEH-VIFPVBQESA-N 2 2 191.278 1.672 10 0 ADAELP Cc1[nH]c([C@@H]2CC[NH2+]C2)[nH+]c1C1CC1 257856882 573721219 /nfs/dbraw/zinc/72/12/19/573721219.db2.gz QCZJWSXKAJDOEH-SECBINFHSA-N 2 2 191.278 1.672 10 0 ADAELP Cc1[nH+]c([C@@H]2CC[NH2+]C2)[nH]c1C1CC1 257856882 573721225 /nfs/dbraw/zinc/72/12/25/573721225.db2.gz QCZJWSXKAJDOEH-SECBINFHSA-N 2 2 191.278 1.672 10 0 ADAELP c1cn(C2CC2)c([C@H]2CCC[NH2+]C2)[nH+]1 75869711 573721255 /nfs/dbraw/zinc/72/12/55/573721255.db2.gz OMOVVGBATNEMEL-VIFPVBQESA-N 2 2 191.278 1.685 10 0 ADAELP Cc1[nH+]cccc1[C@@H]1CC[NH2+]C[C@@H]1F 238495082 573723412 /nfs/dbraw/zinc/72/34/12/573723412.db2.gz CQGOVERBNWBMTJ-QWRGUYRKSA-N 2 2 194.253 1.805 10 0 ADAELP Cc1[nH+]cccc1[C@@H]1CC[C@H]([NH3+])C1 238495192 573723714 /nfs/dbraw/zinc/72/37/14/573723714.db2.gz ZMRUYHDOHZGHAG-ZJUUUORDSA-N 2 2 176.263 1.985 10 0 ADAELP CC[C@@H](C[NH3+])[C@@H]([NH3+])c1ccc(C)o1 259563159 573723969 /nfs/dbraw/zinc/72/39/69/573723969.db2.gz VDUPSHPISAEUCH-WCBMZHEXSA-N 2 2 182.267 1.573 10 0 ADAELP Cc1[nH+]cccc1[C@H]1CC[C@@H]([NH3+])C1 238496005 573724988 /nfs/dbraw/zinc/72/49/88/573724988.db2.gz ZMRUYHDOHZGHAG-VHSXEESVSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1[nH+]cccc1[C@H]1CC[NH2+]C[C@@H]1F 238495949 573725022 /nfs/dbraw/zinc/72/50/22/573725022.db2.gz CQGOVERBNWBMTJ-MNOVXSKESA-N 2 2 194.253 1.805 10 0 ADAELP CCc1[nH]c2c([nH+]1)CCC[C@@H]2[NH3+] 124957510 573725397 /nfs/dbraw/zinc/72/53/97/573725397.db2.gz QXRTXKSSPLUCHP-LURJTMIESA-N 2 2 165.240 1.308 10 0 ADAELP c1cn(CC[C@@H]2CCC[NH2+]2)c[nH+]1 108285677 573728338 /nfs/dbraw/zinc/72/83/38/573728338.db2.gz KUFBOHLHZYIXFD-VIFPVBQESA-N 2 2 165.240 1.025 10 0 ADAELP [NH3+]C[C@@H]1CC[C@@H](n2cc[nH+]c2)C1 108285698 573730722 /nfs/dbraw/zinc/73/07/22/573730722.db2.gz XYULPHIZTJWZBW-RKDXNWHRSA-N 2 2 165.240 1.183 10 0 ADAELP [NH3+]C[C@H]1CC[C@H](n2cc[nH+]c2)C1 108285696 573730975 /nfs/dbraw/zinc/73/09/75/573730975.db2.gz XYULPHIZTJWZBW-IUCAKERBSA-N 2 2 165.240 1.183 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[NH+]1CC(C)C1 108287525 573734918 /nfs/dbraw/zinc/73/49/18/573734918.db2.gz PCAPZKMXCPIPCC-UWVGGRQHSA-N 2 2 168.284 1.079 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[NH3+])c2c1CCC2 238489038 573734938 /nfs/dbraw/zinc/73/49/38/573734938.db2.gz DXYROKDIGSVMGF-GFCCVEGCSA-N 2 2 190.290 1.442 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)CC1(C)CC1 393558701 573734998 /nfs/dbraw/zinc/73/49/98/573734998.db2.gz VPOCYTDEJSBHQS-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)CC1(C)CC1 393558701 573735001 /nfs/dbraw/zinc/73/50/01/573735001.db2.gz VPOCYTDEJSBHQS-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP [NH3+]C[C@H]1C[C@@H]1c1cn2ccccc2[nH+]1 83999541 573735020 /nfs/dbraw/zinc/73/50/20/573735020.db2.gz ULFBKAXBHOTLQK-BDAKNGLRSA-N 2 2 187.246 1.397 10 0 ADAELP CC[NH2+][C@@H](C)/C(C)=C\c1c[nH+]cn1C 308429859 573735066 /nfs/dbraw/zinc/73/50/66/573735066.db2.gz CETWVDPZQHMBJF-MBACFSSFSA-N 2 2 193.294 1.821 10 0 ADAELP [NH3+][C@@H]1C[C@@H]1c1cn2ccccc2[nH+]1 83999496 573735130 /nfs/dbraw/zinc/73/51/30/573735130.db2.gz VACSULYGAYWCAW-JGVFFNPUSA-N 2 2 173.219 1.149 10 0 ADAELP [NH3+]C[C@H]1C[C@H]1c1cn2ccccc2[nH+]1 83999537 573735145 /nfs/dbraw/zinc/73/51/45/573735145.db2.gz ULFBKAXBHOTLQK-RKDXNWHRSA-N 2 2 187.246 1.397 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CCC1 108287457 573735425 /nfs/dbraw/zinc/73/54/25/573735425.db2.gz RGZSPBJAMYSWOB-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP CCc1c[nH]c([C@H](CC)C[NH3+])[nH+]1 259173902 573735447 /nfs/dbraw/zinc/73/54/47/573735447.db2.gz VMUUPVAKFOOULW-SSDOTTSWSA-N 2 2 167.256 1.424 10 0 ADAELP C[C@@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cccnc1 308694650 573736354 /nfs/dbraw/zinc/73/63/54/573736354.db2.gz SLUACSBEBOSQLZ-OPRDCNLKSA-N 2 2 193.294 1.468 10 0 ADAELP [NH3+]C[C@@H]1C[C@H]1c1cn2ccccc2[nH+]1 83999545 573736397 /nfs/dbraw/zinc/73/63/97/573736397.db2.gz ULFBKAXBHOTLQK-DTWKUNHWSA-N 2 2 187.246 1.397 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](C)c1cccnc1 308694647 573736504 /nfs/dbraw/zinc/73/65/04/573736504.db2.gz SLUACSBEBOSQLZ-IVZWLZJFSA-N 2 2 193.294 1.468 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[NH+]1CC(C)C1 108287534 573736587 /nfs/dbraw/zinc/73/65/87/573736587.db2.gz PCAPZKMXCPIPCC-ZJUUUORDSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]([NH2+][C@H](C)c1cccnc1)[C@@H](C)[NH3+] 308694648 573738398 /nfs/dbraw/zinc/73/83/98/573738398.db2.gz SLUACSBEBOSQLZ-KXUCPTDWSA-N 2 2 193.294 1.468 10 0 ADAELP CCC1(CC)C[NH2+]C[C@H](C(C)C)[NH2+]1 108297245 573738470 /nfs/dbraw/zinc/73/84/70/573738470.db2.gz RNBLXIMYBWWCHI-SNVBAGLBSA-N 2 2 184.327 1.763 10 0 ADAELP CC[C@@H]([NH3+])Cc1cn2ccccc2[nH+]1 83999139 573738545 /nfs/dbraw/zinc/73/85/45/573738545.db2.gz ZUNWRSITSXFEED-SECBINFHSA-N 2 2 189.262 1.614 10 0 ADAELP CC[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 108295232 573738642 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CCCCCn1c[nH+]c(CC[NH3+])c1 87016409 573745817 /nfs/dbraw/zinc/74/58/17/573745817.db2.gz IPDHKIKSTFUBKH-UHFFFAOYSA-N 2 2 181.283 1.575 10 0 ADAELP C[NH2+][C@@H](C)c1nnc([C@H]([NH3+])C(C)C)o1 238336950 573745857 /nfs/dbraw/zinc/74/58/57/573745857.db2.gz JJHKVWFNKUEIOB-NKWVEPMBSA-N 2 2 198.270 1.006 10 0 ADAELP C[NH2+]Cc1ccccc1-c1[nH]cc[nH+]1 108299502 573745238 /nfs/dbraw/zinc/74/52/38/573745238.db2.gz IESWZUGRIGNFSE-UHFFFAOYSA-N 2 2 187.246 1.796 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 84046374 573745278 /nfs/dbraw/zinc/74/52/78/573745278.db2.gz VZKDGCPPTUIKGX-YTWAJWBKSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 84046374 573745284 /nfs/dbraw/zinc/74/52/84/573745284.db2.gz VZKDGCPPTUIKGX-YTWAJWBKSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1CC[C@@H](C)[N@@H+]([C@@H]2CCC[NH2+]C2)C1 84048048 573745761 /nfs/dbraw/zinc/74/57/61/573745761.db2.gz YPKAOHJTTRDYAD-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP 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ADAELP CC(C)[C@H](C)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87040063 573747345 /nfs/dbraw/zinc/74/73/45/573747345.db2.gz JIMRALQTINZGHZ-OUAUKWLOSA-N 2 2 184.327 1.700 10 0 ADAELP Cc1[nH+]cn2c1C[C@@H]([NH2+]C1CC1)CC2 107353565 573747357 /nfs/dbraw/zinc/74/73/57/573747357.db2.gz RBSGIBSGPQPZPO-JTQLQIEISA-N 2 2 191.278 1.258 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CC2CCC2)C1 87041967 573747568 /nfs/dbraw/zinc/74/75/68/573747568.db2.gz OIZCJOHHEXVTNI-MWLCHTKSSA-N 2 2 182.311 1.456 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CC2CCC2)C1 87041967 573747575 /nfs/dbraw/zinc/74/75/75/573747575.db2.gz OIZCJOHHEXVTNI-MWLCHTKSSA-N 2 2 182.311 1.456 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87040093 573749933 /nfs/dbraw/zinc/74/99/33/573749933.db2.gz LZZSMWPCXSGSTE-RHYQMDGZSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87040093 573749938 /nfs/dbraw/zinc/74/99/38/573749938.db2.gz LZZSMWPCXSGSTE-RHYQMDGZSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1C[C@H](C)CC[C@@H]1C 84046543 573749960 /nfs/dbraw/zinc/74/99/60/573749960.db2.gz SPCATMWVIVWNAP-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1C[C@H](C)CC[C@@H]1C 84046543 573749962 /nfs/dbraw/zinc/74/99/62/573749962.db2.gz SPCATMWVIVWNAP-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccco2)C1 87039381 573749968 /nfs/dbraw/zinc/74/99/68/573749968.db2.gz MZYBHTPGBYHHKB-UWVGGRQHSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccco2)C1 87039381 573749975 /nfs/dbraw/zinc/74/99/75/573749975.db2.gz MZYBHTPGBYHHKB-UWVGGRQHSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC[NH2+]2)C1 84047978 573749978 /nfs/dbraw/zinc/74/99/78/573749978.db2.gz CBFGAPJRTWJOGB-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]2)C1 84047978 573749983 /nfs/dbraw/zinc/74/99/83/573749983.db2.gz CBFGAPJRTWJOGB-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP 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C[C@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]2)C1 84047975 573750508 /nfs/dbraw/zinc/75/05/08/573750508.db2.gz CBFGAPJRTWJOGB-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C2CCCC2)C1 87039832 573750544 /nfs/dbraw/zinc/75/05/44/573750544.db2.gz DQSNNGSMWKEATA-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+](C2CCCC2)C1 87039832 573750548 /nfs/dbraw/zinc/75/05/48/573750548.db2.gz DQSNNGSMWKEATA-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1C[C@H](C)CC[C@H]1C 84046796 573750580 /nfs/dbraw/zinc/75/05/80/573750580.db2.gz PSIDERLIZUJHST-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1C[C@H](C)CC[C@H]1C 84046796 573750584 /nfs/dbraw/zinc/75/05/84/573750584.db2.gz PSIDERLIZUJHST-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP Cc1[nH+]cc([C@](C)(F)CCC[NH3+])n1C 308706685 573750666 /nfs/dbraw/zinc/75/06/66/573750666.db2.gz XAYRUAGPAWAXIX-SNVBAGLBSA-N 2 2 199.273 1.652 10 0 ADAELP 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C[NH2+]C[C@H](C)[N@H+]1C[C@@H](C)CC[C@@H]1C 84054030 573753811 /nfs/dbraw/zinc/75/38/11/573753811.db2.gz SKDKEBKZNNKHBF-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]C(C)(C)[C@@H](F)Cc1[nH+]ccn1C 308696686 573760099 /nfs/dbraw/zinc/76/00/99/573760099.db2.gz TWNOSKGDOAVNOO-QMMMGPOBSA-N 2 2 199.273 1.299 10 0 ADAELP [NH3+]C/C=C/c1ccccc1-n1cc[nH+]c1 258119244 573760152 /nfs/dbraw/zinc/76/01/52/573760152.db2.gz MBWGWRVXJTXHKS-HWKANZROSA-N 2 2 199.257 1.844 10 0 ADAELP Cc1[nH]c2c([nH+]1)[C@H]([C@H](C)[NH3+])CCC2 76089351 573760666 /nfs/dbraw/zinc/76/06/66/573760666.db2.gz RKQPQMYKDODJBV-XPUUQOCRSA-N 2 2 179.267 1.485 10 0 ADAELP C[NH2+]C(C)(C)[C@H](F)Cc1[nH+]ccn1C 308696684 573760253 /nfs/dbraw/zinc/76/02/53/573760253.db2.gz TWNOSKGDOAVNOO-MRVPVSSYSA-N 2 2 199.273 1.299 10 0 ADAELP C[N@H+](C[NH3+])C1CCCCC1 258913492 573760542 /nfs/dbraw/zinc/76/05/42/573760542.db2.gz PNQLHFHIYXRJAA-UHFFFAOYSA-N 2 2 142.246 1.167 10 0 ADAELP Cc1[nH]c2c([nH+]1)[C@H]([C@@H](C)[NH3+])CCC2 76089347 573760608 /nfs/dbraw/zinc/76/06/08/573760608.db2.gz RKQPQMYKDODJBV-SVRRBLITSA-N 2 2 179.267 1.485 10 0 ADAELP CC(C)n1c[nH+]c2c1CC[C@@H]([NH3+])C2 76088104 573760627 /nfs/dbraw/zinc/76/06/27/573760627.db2.gz QIHAQYPKOTUPIM-MRVPVSSYSA-N 2 2 179.267 1.280 10 0 ADAELP Cc1[nH]c2c([nH+]1)CCC[C@@H]2[NH+](C)C 76089164 573763772 /nfs/dbraw/zinc/76/37/72/573763772.db2.gz DKOIYPGMBUFCDC-VIFPVBQESA-N 2 2 179.267 1.657 10 0 ADAELP C[NH2+]Cc1coc([C@H]2CCC[N@@H+]2C)n1 258122575 573764031 /nfs/dbraw/zinc/76/40/31/573764031.db2.gz ORAVKALQUIHUIB-SECBINFHSA-N 2 2 195.266 1.161 10 0 ADAELP C[NH2+]Cc1coc([C@H]2CCC[N@H+]2C)n1 258122575 573764035 /nfs/dbraw/zinc/76/40/35/573764035.db2.gz ORAVKALQUIHUIB-SECBINFHSA-N 2 2 195.266 1.161 10 0 ADAELP [NH2+]=C(NCc1c[nH+]c[nH]1)C1CCCC1 84081530 573764214 /nfs/dbraw/zinc/76/42/14/573764214.db2.gz WYXYQTRJDVIAAX-UHFFFAOYSA-N 2 2 192.266 1.667 10 0 ADAELP C[NH2+]Cc1coc([C@@H]2CCC[N@@H+]2C)n1 258122577 573764283 /nfs/dbraw/zinc/76/42/83/573764283.db2.gz ORAVKALQUIHUIB-VIFPVBQESA-N 2 2 195.266 1.161 10 0 ADAELP C[NH2+]Cc1coc([C@@H]2CCC[N@H+]2C)n1 258122577 573764288 /nfs/dbraw/zinc/76/42/88/573764288.db2.gz ORAVKALQUIHUIB-VIFPVBQESA-N 2 2 195.266 1.161 10 0 ADAELP CC(C)([NH3+])[C@H]([NH3+])c1cccc(F)c1 259566212 573764301 /nfs/dbraw/zinc/76/43/01/573764301.db2.gz YGPDZXHUYFFXJQ-SECBINFHSA-N 2 2 182.242 1.563 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1cccnc1 259566465 573767246 /nfs/dbraw/zinc/76/72/46/573767246.db2.gz YIDJKQWGMGGHSY-SECBINFHSA-N 2 2 179.267 1.079 10 0 ADAELP CCCCC[N@H+](C)C[NH2+]C 258927603 573767258 /nfs/dbraw/zinc/76/72/58/573767258.db2.gz RHELWCOYJXXDAX-UHFFFAOYSA-N 2 2 144.262 1.285 10 0 ADAELP CCCCC[N@@H+](C)C[NH2+]C 258927603 573767260 /nfs/dbraw/zinc/76/72/60/573767260.db2.gz RHELWCOYJXXDAX-UHFFFAOYSA-N 2 2 144.262 1.285 10 0 ADAELP CCO[C@@H](C)C[NH2+]Cc1c[nH+]c(C)[nH]1 127101646 573767429 /nfs/dbraw/zinc/76/74/29/573767429.db2.gz RVDCDKPPVQQBGF-QMMMGPOBSA-N 2 2 197.282 1.233 10 0 ADAELP Cc1ccc(C)c(CC[NH2+]C[NH3+])c1 258926369 573767758 /nfs/dbraw/zinc/76/77/58/573767758.db2.gz RCGXVAIFLHPQEE-UHFFFAOYSA-N 2 2 178.279 1.352 10 0 ADAELP CCCC[NH2+]C[C@H]1CSCC[NH2+]1 127082179 573767908 /nfs/dbraw/zinc/76/79/08/573767908.db2.gz DFFMPIDXWYOJKN-VIFPVBQESA-N 2 2 188.340 1.081 10 0 ADAELP CCCC[NH2+]C[C@@H]1CSCC[NH2+]1 127081903 573770210 /nfs/dbraw/zinc/77/02/10/573770210.db2.gz DFFMPIDXWYOJKN-SECBINFHSA-N 2 2 188.340 1.081 10 0 ADAELP C[C@]12CCCC[C@@H]1[NH2+]C[NH2+]C2 238509785 573770272 /nfs/dbraw/zinc/77/02/72/573770272.db2.gz IJGZSWZGARGIFA-DTWKUNHWSA-N 2 2 154.257 1.086 10 0 ADAELP CC[C@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 127077782 573770404 /nfs/dbraw/zinc/77/04/04/573770404.db2.gz MHLVHKLJGPJDMV-DTWKUNHWSA-N 2 2 188.340 1.080 10 0 ADAELP Cc1occc1C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 308712369 573770463 /nfs/dbraw/zinc/77/04/63/573770463.db2.gz ZMCXEXVCUFUMJN-BDAKNGLRSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1occc1C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 308712369 573770468 /nfs/dbraw/zinc/77/04/68/573770468.db2.gz ZMCXEXVCUFUMJN-BDAKNGLRSA-N 2 2 196.294 1.756 10 0 ADAELP CC[NH+](CC)CC(=O)[C@@H]1CCCC[NH2+]1 259177382 573770508 /nfs/dbraw/zinc/77/05/08/573770508.db2.gz IDPDFBNOJRAUJZ-JTQLQIEISA-N 2 2 198.310 1.039 10 0 ADAELP Cc1c[nH+]cc(N[C@H](C)CCC[NH3+])c1 308711148 573770571 /nfs/dbraw/zinc/77/05/71/573770571.db2.gz YUWJTNZHVIAIJE-SNVBAGLBSA-N 2 2 193.294 1.929 10 0 ADAELP Cc1occc1C[N@@H+](C)[C@@H](C)[C@H](C)[NH3+] 308712371 573770582 /nfs/dbraw/zinc/77/05/82/573770582.db2.gz ZMCXEXVCUFUMJN-IUCAKERBSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1occc1C[N@H+](C)[C@@H](C)[C@H](C)[NH3+] 308712371 573770589 /nfs/dbraw/zinc/77/05/89/573770589.db2.gz ZMCXEXVCUFUMJN-IUCAKERBSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccc(N2CCC[C@@H]2C[NH3+])c[nH+]1 238509479 573771050 /nfs/dbraw/zinc/77/10/50/573771050.db2.gz XRRDMAKMSPHRFG-SNVBAGLBSA-N 2 2 191.278 1.318 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1ccccc1C 259180082 573772409 /nfs/dbraw/zinc/77/24/09/573772409.db2.gz FGJFQHPVCVKRDK-NSHDSACASA-N 2 2 192.306 1.993 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1cccc(OC)c1 259179430 573772701 /nfs/dbraw/zinc/77/27/01/573772701.db2.gz CQCLIZQZISOWJA-NSHDSACASA-N 2 2 194.278 1.175 10 0 ADAELP Cc1cc([C@@H]2CC[C@H]([NH3+])C2)cc[nH+]1 238511863 573772745 /nfs/dbraw/zinc/77/27/45/573772745.db2.gz ZEEBMPZQFKNADU-KOLCDFICSA-N 2 2 176.263 1.985 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 84126070 573773251 /nfs/dbraw/zinc/77/32/51/573773251.db2.gz VXIMZPGQUSEIOC-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 84126070 573773255 /nfs/dbraw/zinc/77/32/55/573773255.db2.gz VXIMZPGQUSEIOC-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC1(C)C[C@H]([NH2+]Cc2cc[nH]c2)C[NH2+]1 258935083 573774305 /nfs/dbraw/zinc/77/43/05/573774305.db2.gz XWPFMYQSEFQQQB-JTQLQIEISA-N 2 2 193.294 1.245 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 84125895 573776389 /nfs/dbraw/zinc/77/63/89/573776389.db2.gz XXKCDDSFYQPCQE-SDDRHHMPSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 84125895 573776391 /nfs/dbraw/zinc/77/63/91/573776391.db2.gz XXKCDDSFYQPCQE-SDDRHHMPSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 84126072 573776770 /nfs/dbraw/zinc/77/67/70/573776770.db2.gz VXIMZPGQUSEIOC-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 84126072 573776777 /nfs/dbraw/zinc/77/67/77/573776777.db2.gz VXIMZPGQUSEIOC-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1c(C[NH3+])[nH+]cc(C(F)F)c1N 238513360 573776936 /nfs/dbraw/zinc/77/69/36/573776936.db2.gz FLBBPHQZFWCCGW-UHFFFAOYSA-N 2 2 187.193 1.369 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1cc(C)ccc1C 259569850 573778987 /nfs/dbraw/zinc/77/89/87/573778987.db2.gz YLOUNBJENZLMKY-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP CN(c1cccc[nH+]1)C(C)(C)CC[NH3+] 258938204 573781309 /nfs/dbraw/zinc/78/13/09/573781309.db2.gz VZWZGYKGNZBXJN-UHFFFAOYSA-N 2 2 193.294 1.645 10 0 ADAELP Cc1[nH]c(C[NH2+]C2(C3CC3)CC2)c[nH+]1 308736902 573783104 /nfs/dbraw/zinc/78/31/04/573783104.db2.gz LUTIKWXQYFFBPA-UHFFFAOYSA-N 2 2 191.278 1.750 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2C[C@@H]2C2CC2)c[nH+]1 308737899 573783779 /nfs/dbraw/zinc/78/37/79/573783779.db2.gz MPBKBCLCEZADQW-MNOVXSKESA-N 2 2 191.278 1.606 10 0 ADAELP CCCc1[nH+]c(C2(C[NH3+])CC2)[nH]c1C 258514620 573787031 /nfs/dbraw/zinc/78/70/31/573787031.db2.gz GIFSZYWKDUICKO-UHFFFAOYSA-N 2 2 193.294 1.661 10 0 ADAELP CCCc1[nH]c(C2(C[NH3+])CC2)[nH+]c1C 258514620 573787036 /nfs/dbraw/zinc/78/70/36/573787036.db2.gz GIFSZYWKDUICKO-UHFFFAOYSA-N 2 2 193.294 1.661 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@H]2CC2(C)C)CC[NH2+]1 235648940 573786438 /nfs/dbraw/zinc/78/64/38/573786438.db2.gz ZQJNJSXKDSSGKF-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@H]2CC2(C)C)CC[NH2+]1 235648940 573786443 /nfs/dbraw/zinc/78/64/43/573786443.db2.gz ZQJNJSXKDSSGKF-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP CCc1ccc([C@@](C)([NH3+])C[NH3+])cc1 259185913 573792103 /nfs/dbraw/zinc/79/21/03/573792103.db2.gz XNJFVVJURIFAGS-NSHDSACASA-N 2 2 178.279 1.382 10 0 ADAELP C[NH2+]C[N@H+](C)C1CCCC1 258945722 573792346 /nfs/dbraw/zinc/79/23/46/573792346.db2.gz UDCRXBNWOXQNKM-UHFFFAOYSA-N 2 2 142.246 1.038 10 0 ADAELP C[NH2+]C[N@@H+](C)C1CCCC1 258945722 573792352 /nfs/dbraw/zinc/79/23/52/573792352.db2.gz UDCRXBNWOXQNKM-UHFFFAOYSA-N 2 2 142.246 1.038 10 0 ADAELP CC1(C)C[C@@H]([NH2+]Cc2ccc[nH]2)C[NH2+]1 258949057 573792862 /nfs/dbraw/zinc/79/28/62/573792862.db2.gz ZEIKOEKWPOPBNR-SNVBAGLBSA-N 2 2 193.294 1.245 10 0 ADAELP C/C(=C/c1c[nH+]cn1C1CC1)[C@@H](C)[NH3+] 308441778 573792885 /nfs/dbraw/zinc/79/28/85/573792885.db2.gz JPNOTOIVDHESDG-BZJXQOFCSA-N 2 2 191.278 1.969 10 0 ADAELP C[NH2+][C@@H](C)C[C@H](C)c1cn(C)c[nH+]1 393590281 573793449 /nfs/dbraw/zinc/79/34/49/573793449.db2.gz MVGVMIOTGHQNKV-IUCAKERBSA-N 2 2 181.283 1.522 10 0 ADAELP CC[C@@H](C[NH3+])CN(C)c1cccc[nH+]1 258949479 573793811 /nfs/dbraw/zinc/79/38/11/573793811.db2.gz JKOOGOBYCVHHRS-JTQLQIEISA-N 2 2 193.294 1.503 10 0 ADAELP CCCC[N@@H+]1C[C@@H]([NH3+])CCC1(C)C 258949878 573799012 /nfs/dbraw/zinc/79/90/12/573799012.db2.gz YUBWNNZRNLJCBZ-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@H+]1C[C@@H]([NH3+])CCC1(C)C 258949878 573799017 /nfs/dbraw/zinc/79/90/17/573799017.db2.gz YUBWNNZRNLJCBZ-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP Cc1[nH]c2c(C[C@@H](C)[NH3+])cccc2[nH+]1 76209690 573799122 /nfs/dbraw/zinc/79/91/22/573799122.db2.gz GFLVVIWNXWPTGS-SSDOTTSWSA-N 2 2 189.262 1.761 10 0 ADAELP Cc1[nH]c2cccc(C[C@@H](C)[NH3+])c2[nH+]1 76209690 573799127 /nfs/dbraw/zinc/79/91/27/573799127.db2.gz GFLVVIWNXWPTGS-SSDOTTSWSA-N 2 2 189.262 1.761 10 0 ADAELP C[N@H+](CCCF)Cc1cc(N)cc[nH+]1 716781036 573799198 /nfs/dbraw/zinc/79/91/98/573799198.db2.gz OZQPQKPFIZMANL-UHFFFAOYSA-N 2 2 197.257 1.455 10 0 ADAELP C[N@@H+](CCCF)Cc1cc(N)cc[nH+]1 716781036 573799203 /nfs/dbraw/zinc/79/92/03/573799203.db2.gz OZQPQKPFIZMANL-UHFFFAOYSA-N 2 2 197.257 1.455 10 0 ADAELP C[N@H+](CC[NH2+]C1CC1)C1CCC1 127310717 573799470 /nfs/dbraw/zinc/79/94/70/573799470.db2.gz XOBUIODWTMGARD-UHFFFAOYSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+](CC[NH2+]C1CC1)C1CCC1 127310717 573799475 /nfs/dbraw/zinc/79/94/75/573799475.db2.gz XOBUIODWTMGARD-UHFFFAOYSA-N 2 2 168.284 1.223 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1cccc(O)c1 257878443 573799770 /nfs/dbraw/zinc/79/97/70/573799770.db2.gz VBHZNZFZTWGTDC-NSHDSACASA-N 2 2 192.262 1.144 10 0 ADAELP Cc1ccc(N2CC[C@@H]([NH3+])C2)c(C)[nH+]1 87152435 573799846 /nfs/dbraw/zinc/79/98/46/573799846.db2.gz VAIFRISXHWYTRS-SNVBAGLBSA-N 2 2 191.278 1.236 10 0 ADAELP C[NH2+][C@H](c1ccncc1)C(C)(C)[NH3+] 259190936 573799971 /nfs/dbraw/zinc/79/99/71/573799971.db2.gz DBNJCKIIMSIWCP-SECBINFHSA-N 2 2 179.267 1.079 10 0 ADAELP COC(C)(C)Cn1c(C[NH3+])c[nH+]c1C 393590643 573799994 /nfs/dbraw/zinc/79/99/94/573799994.db2.gz OWIHEKASWJMREW-UHFFFAOYSA-N 2 2 197.282 1.075 10 0 ADAELP Cc1coc([C@H]([NH3+])CC[NH+](C)C)c1 716187396 573800101 /nfs/dbraw/zinc/80/01/01/573800101.db2.gz FYLGIHXVMLDDSS-SECBINFHSA-N 2 2 182.267 1.540 10 0 ADAELP Cc1[nH]c2c(C[C@H](C)[NH3+])cccc2[nH+]1 76209695 573800368 /nfs/dbraw/zinc/80/03/68/573800368.db2.gz GFLVVIWNXWPTGS-ZETCQYMHSA-N 2 2 189.262 1.761 10 0 ADAELP Cc1[nH]c2cccc(C[C@H](C)[NH3+])c2[nH+]1 76209695 573800377 /nfs/dbraw/zinc/80/03/77/573800377.db2.gz GFLVVIWNXWPTGS-ZETCQYMHSA-N 2 2 189.262 1.761 10 0 ADAELP Cc1ccc(NC2C[NH2+]C2)c(C)[nH+]1 87151749 573801127 /nfs/dbraw/zinc/80/11/27/573801127.db2.gz MYPWFYIOPQYAJZ-UHFFFAOYSA-N 2 2 177.251 1.082 10 0 ADAELP Cc1[nH]c(CCC2CC[NH2+]CC2)c[nH+]1 238513940 573801134 /nfs/dbraw/zinc/80/11/34/573801134.db2.gz JDVFUQBHEKJOFO-UHFFFAOYSA-N 2 2 193.294 1.650 10 0 ADAELP Cc1[nH]cc(CC[NH+]2CCCCC2)[nH+]1 238514059 573801164 /nfs/dbraw/zinc/80/11/64/573801164.db2.gz OGLBEMVRRGXFOQ-UHFFFAOYSA-N 2 2 193.294 1.747 10 0 ADAELP Cc1[nH]c(CC[NH+]2CCCCC2)c[nH+]1 238514059 573801171 /nfs/dbraw/zinc/80/11/71/573801171.db2.gz OGLBEMVRRGXFOQ-UHFFFAOYSA-N 2 2 193.294 1.747 10 0 ADAELP C[C@H]([NH3+])Cc1cccc2[nH+]cn(C)c12 76208553 573801288 /nfs/dbraw/zinc/80/12/88/573801288.db2.gz ZHZATUASJPWXKL-QMMMGPOBSA-N 2 2 189.262 1.463 10 0 ADAELP CCc1ccc(CC[NH2+]C[NH2+]C)cc1 258952899 573801333 /nfs/dbraw/zinc/80/13/33/573801333.db2.gz UZMMILCNRFVXSJ-UHFFFAOYSA-N 2 2 192.306 1.558 10 0 ADAELP Cc1ccc(N[C@H]2CC[NH2+]C2)c(C)[nH+]1 87151753 573801347 /nfs/dbraw/zinc/80/13/47/573801347.db2.gz MOICBUNMGTYLTD-JTQLQIEISA-N 2 2 191.278 1.472 10 0 ADAELP C[N@H+](CCC1CCC1)[C@@H]1CCC[C@H]1[NH3+] 258953236 573801372 /nfs/dbraw/zinc/80/13/72/573801372.db2.gz KPEOOEGEROBRLW-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CCC1CCC1)[C@@H]1CCC[C@H]1[NH3+] 258953236 573801377 /nfs/dbraw/zinc/80/13/77/573801377.db2.gz KPEOOEGEROBRLW-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1CNc1cccc[nH+]1 84235321 573801491 /nfs/dbraw/zinc/80/14/91/573801491.db2.gz KPELZBOJQJYJMM-ZJUUUORDSA-N 2 2 191.278 1.621 10 0 ADAELP CCCC[N@H+](CC)CC1=[NH+]CCN1 308438613 573801524 /nfs/dbraw/zinc/80/15/24/573801524.db2.gz XXNXUQNGVSFZRV-UHFFFAOYSA-N 2 2 183.299 1.110 10 0 ADAELP CCCC[N@@H+](CC)CC1=[NH+]CCN1 308438613 573801529 /nfs/dbraw/zinc/80/15/29/573801529.db2.gz XXNXUQNGVSFZRV-UHFFFAOYSA-N 2 2 183.299 1.110 10 0 ADAELP Cc1ccc(C)c(NC[C@@H]([NH3+])C[NH3+])c1 258952989 573802069 /nfs/dbraw/zinc/80/20/69/573802069.db2.gz LUSPNQXBMSTQFB-JTQLQIEISA-N 2 2 193.294 1.001 10 0 ADAELP C[N@H+](CCC1CCC1)[C@H]1CCC[C@@H]1[NH3+] 258953234 573802375 /nfs/dbraw/zinc/80/23/75/573802375.db2.gz KPEOOEGEROBRLW-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CCC1CCC1)[C@H]1CCC[C@@H]1[NH3+] 258953234 573802379 /nfs/dbraw/zinc/80/23/79/573802379.db2.gz KPEOOEGEROBRLW-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP [NH3+]C[C@H]1CCC[C@H]1Oc1cc[nH+]cc1 84241121 573802476 /nfs/dbraw/zinc/80/24/76/573802476.db2.gz UVPUAUVQJDJMJJ-MWLCHTKSSA-N 2 2 192.262 1.588 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@@H]1Oc1cc[nH+]cc1 84241129 573802675 /nfs/dbraw/zinc/80/26/75/573802675.db2.gz UVPUAUVQJDJMJJ-ONGXEEELSA-N 2 2 192.262 1.588 10 0 ADAELP C[N@H+](CCC1CCC1)[C@H]1CCC[C@H]1[NH3+] 258953230 573802791 /nfs/dbraw/zinc/80/27/91/573802791.db2.gz KPEOOEGEROBRLW-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CCC1CCC1)[C@H]1CCC[C@H]1[NH3+] 258953230 573802797 /nfs/dbraw/zinc/80/27/97/573802797.db2.gz KPEOOEGEROBRLW-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1C[C@@]1(C)C[NH2+]CC1([NH+](C)C)CC1 714747130 573803787 /nfs/dbraw/zinc/80/37/87/573803787.db2.gz SJCZJRNPBGLMRD-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)(C[NH2+]C[NH3+])c1ccccc1 258954622 573803071 /nfs/dbraw/zinc/80/30/71/573803071.db2.gz VEBJQMKRDCSBEI-UHFFFAOYSA-N 2 2 178.279 1.470 10 0 ADAELP Cc1c([C@@H]([NH3+])C[NH3+])ccc2c1CCC2 238515802 573803157 /nfs/dbraw/zinc/80/31/57/573803157.db2.gz GKCPKYOBKIWCDB-LBPRGKRZSA-N 2 2 190.290 1.442 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@H]1Oc1cc[nH+]cc1 84241127 573803715 /nfs/dbraw/zinc/80/37/15/573803715.db2.gz UVPUAUVQJDJMJJ-GXSJLCMTSA-N 2 2 192.262 1.588 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1CNc1cccc[nH+]1 84235331 573803741 /nfs/dbraw/zinc/80/37/41/573803741.db2.gz KPELZBOJQJYJMM-NXEZZACHSA-N 2 2 191.278 1.621 10 0 ADAELP C[NH2+][C@H](c1ccccc1F)C1C[NH2+]C1 259193243 573806068 /nfs/dbraw/zinc/80/60/68/573806068.db2.gz FAYJDSHPEYLKTR-NSHDSACASA-N 2 2 194.253 1.306 10 0 ADAELP C[NH2+][C@H](C)CN1CCc2cc[nH+]cc21 258131653 573806090 /nfs/dbraw/zinc/80/60/90/573806090.db2.gz NVNXJBFDXPOLQZ-SECBINFHSA-N 2 2 191.278 1.052 10 0 ADAELP CC[NH2+]CC/C=C\c1ccc[nH+]c1N 211641617 573809408 /nfs/dbraw/zinc/80/94/08/573809408.db2.gz IYBUHIANBKIURK-UTCJRWHESA-N 2 2 191.278 1.677 10 0 ADAELP Cc1ccc(C)c([C@@](C)([NH3+])C[NH3+])c1 259194661 573809641 /nfs/dbraw/zinc/80/96/41/573809641.db2.gz YIBYXJMZZJLZDK-NSHDSACASA-N 2 2 178.279 1.436 10 0 ADAELP [NH3+]C[C@]1(c2ccccc2F)CCC[NH2+]1 258141297 573811749 /nfs/dbraw/zinc/81/17/49/573811749.db2.gz KWOTVFHMGAJDAC-NSHDSACASA-N 2 2 194.253 1.363 10 0 ADAELP CCC(CC)[N@@H+]1CC[NH2+]CC[C@@H]1C 87175676 573811918 /nfs/dbraw/zinc/81/19/18/573811918.db2.gz BAKGQBGJHYHMEQ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+]1CC[NH2+]CC[C@@H]1C 87175676 573811925 /nfs/dbraw/zinc/81/19/25/573811925.db2.gz BAKGQBGJHYHMEQ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP Cc1[nH]c(CC[NH3+])[nH+]c1C1CC1 258435296 573812128 /nfs/dbraw/zinc/81/21/28/573812128.db2.gz DHZCYRSWEXAJFH-UHFFFAOYSA-N 2 2 165.240 1.097 10 0 ADAELP Cc1[nH+]c(CC[NH3+])[nH]c1C1CC1 258435296 573812133 /nfs/dbraw/zinc/81/21/33/573812133.db2.gz DHZCYRSWEXAJFH-UHFFFAOYSA-N 2 2 165.240 1.097 10 0 ADAELP [NH3+]C[C@@]1(c2ccccc2F)CCC[NH2+]1 258141293 573812210 /nfs/dbraw/zinc/81/22/10/573812210.db2.gz KWOTVFHMGAJDAC-LLVKDONJSA-N 2 2 194.253 1.363 10 0 ADAELP CC(C)(C)[C@@H]([NH3+])c1cc(N)cc[nH+]1 238137637 573818996 /nfs/dbraw/zinc/81/89/96/573818996.db2.gz DHGVZQBQHBYKHU-VIFPVBQESA-N 2 2 179.267 1.710 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC(C)(C)C 41051383 573819073 /nfs/dbraw/zinc/81/90/73/573819073.db2.gz UZGIQZALHAGQKG-JTQLQIEISA-N 2 2 195.310 1.907 10 0 ADAELP Cc1cc([C@H]2CCC[C@H]2[NH3+])c[nH+]c1N 238524167 573819112 /nfs/dbraw/zinc/81/91/12/573819112.db2.gz KYWLWZLAMUKKQG-NXEZZACHSA-N 2 2 191.278 1.567 10 0 ADAELP Cc1cc([C@H]2CCC[C@@H]2[NH3+])c[nH+]c1N 238523884 573819239 /nfs/dbraw/zinc/81/92/39/573819239.db2.gz KYWLWZLAMUKKQG-ZJUUUORDSA-N 2 2 191.278 1.567 10 0 ADAELP CC[NH2+]CC[N@H+](C)C1CCC1 127321703 573819634 /nfs/dbraw/zinc/81/96/34/573819634.db2.gz QMSOWLPQWHDKRY-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP Cn1cc[nH+]c1CC[NH2+]CC(C)(C)C 41051480 573821156 /nfs/dbraw/zinc/82/11/56/573821156.db2.gz YLIADKZVLIKDTE-UHFFFAOYSA-N 2 2 195.310 1.598 10 0 ADAELP CCC[N@H+](CC1CC1)[C@@H]1CCC[NH2+]C1 43501337 573822391 /nfs/dbraw/zinc/82/23/91/573822391.db2.gz DFOQJICNMWJFLW-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[N@@H+](CC1CC1)[C@@H]1CCC[NH2+]C1 43501337 573822395 /nfs/dbraw/zinc/82/23/95/573822395.db2.gz DFOQJICNMWJFLW-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1cc(C)c(C)cc1C 259204144 573822544 /nfs/dbraw/zinc/82/25/44/573822544.db2.gz GFFBIDLHQIJQPI-GFCCVEGCSA-N 2 2 192.306 1.831 10 0 ADAELP CCC[C@H]([NH3+])CCc1cn(CC)c[nH+]1 308447609 573822794 /nfs/dbraw/zinc/82/27/94/573822794.db2.gz AARZONLEDFVGBQ-JTQLQIEISA-N 2 2 195.310 1.963 10 0 ADAELP Cc1cc(C[NH3+])c2[nH]c[nH+]c2c1 238524383 573822801 /nfs/dbraw/zinc/82/28/01/573822801.db2.gz CFBDCTGFGLFJTA-UHFFFAOYSA-N 2 2 161.208 1.330 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCC(F)F)C[N@@H+]1C 393564219 573822948 /nfs/dbraw/zinc/82/29/48/573822948.db2.gz NSQGDTCRNAJWQI-HTQZYQBOSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCC(F)F)C[N@H+]1C 393564219 573822953 /nfs/dbraw/zinc/82/29/53/573822953.db2.gz NSQGDTCRNAJWQI-HTQZYQBOSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@H](C[NH3+])Cc1[nH]c(C2CCC2)c[nH+]1 259203316 573823206 /nfs/dbraw/zinc/82/32/06/573823206.db2.gz XSRLLINSZYPGEW-QMMMGPOBSA-N 2 2 193.294 1.815 10 0 ADAELP CCC[N@H+](CC1CC1)[C@H]1CCC[NH2+]C1 43501338 573824455 /nfs/dbraw/zinc/82/44/55/573824455.db2.gz DFOQJICNMWJFLW-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[N@@H+](CC1CC1)[C@H]1CCC[NH2+]C1 43501338 573824460 /nfs/dbraw/zinc/82/44/60/573824460.db2.gz DFOQJICNMWJFLW-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC(CC)[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 41053845 573824627 /nfs/dbraw/zinc/82/46/27/573824627.db2.gz CNIWDQZVEZEDJI-RKDXNWHRSA-N 2 2 172.316 1.843 10 0 ADAELP CCC(CC)[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 41053845 573824634 /nfs/dbraw/zinc/82/46/34/573824634.db2.gz CNIWDQZVEZEDJI-RKDXNWHRSA-N 2 2 172.316 1.843 10 0 ADAELP Cc1cc([C@H]2CC[C@@H]([NH3+])C2)cc[nH+]1 238525554 573824697 /nfs/dbraw/zinc/82/46/97/573824697.db2.gz ZEEBMPZQFKNADU-GXSJLCMTSA-N 2 2 176.263 1.985 10 0 ADAELP CC(C)C[C@@H](C)n1cc[nH+]c1CC[NH3+] 308445970 573824954 /nfs/dbraw/zinc/82/49/54/573824954.db2.gz AMEOBDIYSXZXTC-SNVBAGLBSA-N 2 2 195.310 1.991 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)Cc1ccncc1 41053834 573824956 /nfs/dbraw/zinc/82/49/56/573824956.db2.gz QHTWGAARXCSUND-UWVGGRQHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)Cc1ccncc1 41053834 573824959 /nfs/dbraw/zinc/82/49/59/573824959.db2.gz QHTWGAARXCSUND-UWVGGRQHSA-N 2 2 193.294 1.249 10 0 ADAELP CCC[N@H+](CC)[C@H](C)[C@@H](C)[NH3+] 41053797 573825053 /nfs/dbraw/zinc/82/50/53/573825053.db2.gz WXQHJFPNVZASTO-RKDXNWHRSA-N 2 2 158.289 1.454 10 0 ADAELP CCC[N@@H+](CC)[C@H](C)[C@@H](C)[NH3+] 41053797 573825058 /nfs/dbraw/zinc/82/50/58/573825058.db2.gz WXQHJFPNVZASTO-RKDXNWHRSA-N 2 2 158.289 1.454 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)Cc1ccncc1 41053835 573825978 /nfs/dbraw/zinc/82/59/78/573825978.db2.gz QHTWGAARXCSUND-ZJUUUORDSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)Cc1ccccn1 41053839 573825269 /nfs/dbraw/zinc/82/52/69/573825269.db2.gz CHINHPLZZHAKEN-ZJUUUORDSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)Cc1ccccn1 41053839 573825276 /nfs/dbraw/zinc/82/52/76/573825276.db2.gz CHINHPLZZHAKEN-ZJUUUORDSA-N 2 2 193.294 1.249 10 0 ADAELP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C2)c(C)o1 238525314 573825303 /nfs/dbraw/zinc/82/53/03/573825303.db2.gz SLERNDNCUZQRKZ-NSHDSACASA-N 2 2 194.278 1.429 10 0 ADAELP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C2)c(C)o1 238525314 573825307 /nfs/dbraw/zinc/82/53/07/573825307.db2.gz SLERNDNCUZQRKZ-NSHDSACASA-N 2 2 194.278 1.429 10 0 ADAELP Cc1sccc1[C@@H](C[NH3+])[NH2+]C1CC1 393593024 573825478 /nfs/dbraw/zinc/82/54/78/573825478.db2.gz ZIUMIJFJHUAOPX-SNVBAGLBSA-N 2 2 196.319 1.808 10 0 ADAELP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)o1 238525219 573825482 /nfs/dbraw/zinc/82/54/82/573825482.db2.gz SLERNDNCUZQRKZ-LLVKDONJSA-N 2 2 194.278 1.429 10 0 ADAELP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C2)c(C)o1 238525219 573825486 /nfs/dbraw/zinc/82/54/86/573825486.db2.gz SLERNDNCUZQRKZ-LLVKDONJSA-N 2 2 194.278 1.429 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053811 573825618 /nfs/dbraw/zinc/82/56/18/573825618.db2.gz XOVUWADPUAJPPA-AEJSXWLSSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053811 573825624 /nfs/dbraw/zinc/82/56/24/573825624.db2.gz XOVUWADPUAJPPA-AEJSXWLSSA-N 2 2 172.316 1.843 10 0 ADAELP CC[N@H+](CC1CC1)[C@@]1(C)CC[NH2+]C1 308754200 573825825 /nfs/dbraw/zinc/82/58/25/573825825.db2.gz VRVAZQAEOKUDOW-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@]1(C)CC[NH2+]C1 308754200 573825831 /nfs/dbraw/zinc/82/58/31/573825831.db2.gz VRVAZQAEOKUDOW-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)Cc1ccncc1 41053835 573825973 /nfs/dbraw/zinc/82/59/73/573825973.db2.gz QHTWGAARXCSUND-ZJUUUORDSA-N 2 2 193.294 1.249 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053815 573827587 /nfs/dbraw/zinc/82/75/87/573827587.db2.gz PTYVSMQGCASHLB-AEJSXWLSSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053815 573827591 /nfs/dbraw/zinc/82/75/91/573827591.db2.gz PTYVSMQGCASHLB-AEJSXWLSSA-N 2 2 172.316 1.700 10 0 ADAELP Cc1[nH+]c(C[NH3+])cc(N)c1C(F)F 238525345 573827013 /nfs/dbraw/zinc/82/70/13/573827013.db2.gz QIHXMKLJIGRMLS-UHFFFAOYSA-N 2 2 187.193 1.369 10 0 ADAELP CC[C@H]1CCC[N@@H+]([C@@H](C)[C@@H](C)[NH3+])C1 41053849 573827083 /nfs/dbraw/zinc/82/70/83/573827083.db2.gz VHYBNWAXIJEGTN-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]1CCC[N@H+]([C@@H](C)[C@@H](C)[NH3+])C1 41053849 573827089 /nfs/dbraw/zinc/82/70/89/573827089.db2.gz VHYBNWAXIJEGTN-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[NH+](CCC)[C@@H](C)[C@@H](C)[NH3+] 41053740 573827272 /nfs/dbraw/zinc/82/72/72/573827272.db2.gz LZDNHJVZWAWHCS-ZJUUUORDSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[NH+](CCC)[C@H](C)[C@@H](C)[NH3+] 41053741 573827467 /nfs/dbraw/zinc/82/74/67/573827467.db2.gz LZDNHJVZWAWHCS-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)Cc1ccccn1 41053838 573827548 /nfs/dbraw/zinc/82/75/48/573827548.db2.gz CHINHPLZZHAKEN-UWVGGRQHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)Cc1ccccn1 41053838 573827552 /nfs/dbraw/zinc/82/75/52/573827552.db2.gz CHINHPLZZHAKEN-UWVGGRQHSA-N 2 2 193.294 1.249 10 0 ADAELP CC[N@@H+]1CCC[C@H]1[C@]1(C)CCC[NH2+]1 258151571 573829460 /nfs/dbraw/zinc/82/94/60/573829460.db2.gz KJKMUDCAMOUFQC-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1CCC[C@H]1[C@]1(C)CCC[NH2+]1 258151571 573829464 /nfs/dbraw/zinc/82/94/64/573829464.db2.gz KJKMUDCAMOUFQC-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[NH2+][C@H](c1ccncc1)[C@@H]1CCC[NH2+]1 259205167 573829781 /nfs/dbraw/zinc/82/97/81/573829781.db2.gz FOLMOPABBFXYFA-WDEREUQCSA-N 2 2 191.278 1.094 10 0 ADAELP CCC[C@](C)([NH3+])C[N@@H+]1CC[C@@H](F)C1 689911649 573829985 /nfs/dbraw/zinc/82/99/85/573829985.db2.gz DNYCEXFYVNSUFJ-ZJUUUORDSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@](C)([NH3+])C[N@H+]1CC[C@@H](F)C1 689911649 573829993 /nfs/dbraw/zinc/82/99/93/573829993.db2.gz DNYCEXFYVNSUFJ-ZJUUUORDSA-N 2 2 188.290 1.548 10 0 ADAELP Cc1[nH]cc(-c2ccc(C[NH3+])s2)[nH+]1 238532826 573835202 /nfs/dbraw/zinc/83/52/02/573835202.db2.gz IPXWKVXUBRLROQ-UHFFFAOYSA-N 2 2 193.275 1.905 10 0 ADAELP CCC[N@H+](CC)[C@@H](C)C(N)=[NH2+] 43528498 573834952 /nfs/dbraw/zinc/83/49/52/573834952.db2.gz QSYRDCJXVMQXNY-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CCC[N@@H+](CC)[C@@H](C)C(N)=[NH2+] 43528498 573834955 /nfs/dbraw/zinc/83/49/55/573834955.db2.gz QSYRDCJXVMQXNY-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP Cc1[nH+]c([C@H]2CCCO2)[nH]c1CC[NH3+] 258153430 573838550 /nfs/dbraw/zinc/83/85/50/573838550.db2.gz SFYJBRUADOPQJY-SECBINFHSA-N 2 2 195.266 1.071 10 0 ADAELP [NH3+][C@H](c1cccnc1)[C@@H]1CCCC[NH2+]1 259207396 573838574 /nfs/dbraw/zinc/83/85/74/573838574.db2.gz GIOMIXYGLPDFIM-WDEREUQCSA-N 2 2 191.278 1.224 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1CC(C)C 84345759 573838693 /nfs/dbraw/zinc/83/86/93/573838693.db2.gz XLCBOMRNELDYJS-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1CC(C)C 84345759 573838697 /nfs/dbraw/zinc/83/86/97/573838697.db2.gz XLCBOMRNELDYJS-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H](C[NH3+])c1[nH]cc(C2CCC2)[nH+]1 259208509 573838701 /nfs/dbraw/zinc/83/87/01/573838701.db2.gz YFTXKJZDVPSMOX-SSDOTTSWSA-N 2 2 179.267 1.739 10 0 ADAELP C[C@@H](C[NH3+])c1[nH]cc(C2CCC2)[nH+]1 259208510 573838709 /nfs/dbraw/zinc/83/87/09/573838709.db2.gz YFTXKJZDVPSMOX-ZETCQYMHSA-N 2 2 179.267 1.739 10 0 ADAELP CCc1ccc([C@@H]([NH3+])C(C)(C)[NH3+])cc1 259575461 573838964 /nfs/dbraw/zinc/83/89/64/573838964.db2.gz YWPGQNHVLNUZSA-LLVKDONJSA-N 2 2 192.306 1.986 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+](C)CC(C)C 258967160 573839086 /nfs/dbraw/zinc/83/90/86/573839086.db2.gz YNQDTTUJIPTQOC-UHFFFAOYSA-N 2 2 172.316 1.572 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+](C)CC(C)C 258967160 573839092 /nfs/dbraw/zinc/83/90/92/573839092.db2.gz YNQDTTUJIPTQOC-UHFFFAOYSA-N 2 2 172.316 1.572 10 0 ADAELP Cc1[nH]cc(-c2cccc(C[NH3+])c2)[nH+]1 238534286 573839112 /nfs/dbraw/zinc/83/91/12/573839112.db2.gz FGICAADHJJXVBB-UHFFFAOYSA-N 2 2 187.246 1.844 10 0 ADAELP Cc1[nH+]cccc1N[C@@H](C)C1C[NH2+]C1 686251011 573840158 /nfs/dbraw/zinc/84/01/58/573840158.db2.gz QWUBHDLQLJYGLM-QMMMGPOBSA-N 2 2 191.278 1.410 10 0 ADAELP C[NH2+]CCCc1[nH]cc(C(C)(C)F)[nH+]1 214986489 573844029 /nfs/dbraw/zinc/84/40/29/573844029.db2.gz KTFVRNZEHFBFQY-UHFFFAOYSA-N 2 2 199.273 1.766 10 0 ADAELP C[NH2+]CCCc1[nH]c(C(C)(C)F)c[nH+]1 214986489 573844037 /nfs/dbraw/zinc/84/40/37/573844037.db2.gz KTFVRNZEHFBFQY-UHFFFAOYSA-N 2 2 199.273 1.766 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@](C)(F)C1 259623200 573844082 /nfs/dbraw/zinc/84/40/82/573844082.db2.gz FOFSTGKDNRBRQS-RKDXNWHRSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@@](C)(F)C1 259623200 573844088 /nfs/dbraw/zinc/84/40/88/573844088.db2.gz FOFSTGKDNRBRQS-RKDXNWHRSA-N 2 2 174.263 1.158 10 0 ADAELP CCC[C@@](C)([NH3+])C[N@@H+]1CC[C@H](F)C1 689911421 573844091 /nfs/dbraw/zinc/84/40/91/573844091.db2.gz DNYCEXFYVNSUFJ-VHSXEESVSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@@](C)([NH3+])C[N@H+]1CC[C@H](F)C1 689911421 573844094 /nfs/dbraw/zinc/84/40/94/573844094.db2.gz DNYCEXFYVNSUFJ-VHSXEESVSA-N 2 2 188.290 1.548 10 0 ADAELP CC1(C)CC[N@@H+]([C@H]2CCC[C@@H]2[NH3+])C1 87252137 573844159 /nfs/dbraw/zinc/84/41/59/573844159.db2.gz ZSBZWJYJCZZDPK-UWVGGRQHSA-N 2 2 182.311 1.598 10 0 ADAELP CC1(C)CC[N@H+]([C@H]2CCC[C@@H]2[NH3+])C1 87252137 573844162 /nfs/dbraw/zinc/84/41/62/573844162.db2.gz ZSBZWJYJCZZDPK-UWVGGRQHSA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252008 573844222 /nfs/dbraw/zinc/84/42/22/573844222.db2.gz UWZSKUFKZLXZGJ-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252008 573844227 /nfs/dbraw/zinc/84/42/27/573844227.db2.gz UWZSKUFKZLXZGJ-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP Cc1cc(C[NH2+]C(C)(C)C[NH3+])c(C)o1 308449922 573844438 /nfs/dbraw/zinc/84/44/38/573844438.db2.gz CALVFZVOCLXRGE-UHFFFAOYSA-N 2 2 196.294 1.723 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252189 573845789 /nfs/dbraw/zinc/84/57/89/573845789.db2.gz HIYCQPDTTPHOHQ-DTWKUNHWSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC(C)(C)C1 87252189 573845792 /nfs/dbraw/zinc/84/57/92/573845792.db2.gz HIYCQPDTTPHOHQ-DTWKUNHWSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@H+](CC)C1CC1 43545520 573845828 /nfs/dbraw/zinc/84/58/28/573845828.db2.gz DKAIDXMBSYZPFH-MRVPVSSYSA-N 2 2 169.272 1.185 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@@H+]1CCC(C)(C)C1 87252172 573845829 /nfs/dbraw/zinc/84/58/29/573845829.db2.gz ZDKWSAWPADDVSP-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@@H+](CC)C1CC1 43545520 573845830 /nfs/dbraw/zinc/84/58/30/573845830.db2.gz DKAIDXMBSYZPFH-MRVPVSSYSA-N 2 2 169.272 1.185 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@H+]1CCC(C)(C)C1 87252172 573845836 /nfs/dbraw/zinc/84/58/36/573845836.db2.gz ZDKWSAWPADDVSP-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@](C)(F)C1 259623191 573845877 /nfs/dbraw/zinc/84/58/77/573845877.db2.gz FOFSTGKDNRBRQS-BDAKNGLRSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@](C)(F)C1 259623191 573845883 /nfs/dbraw/zinc/84/58/83/573845883.db2.gz FOFSTGKDNRBRQS-BDAKNGLRSA-N 2 2 174.263 1.158 10 0 ADAELP [NH3+]C[C@@H]([NH3+])CNc1ccccc1Cl 258971013 573845948 /nfs/dbraw/zinc/84/59/48/573845948.db2.gz NQMNFEASGJFNDQ-SSDOTTSWSA-N 2 2 199.685 1.038 10 0 ADAELP Cc1[nH]cc(-c2ccccc2C[NH3+])[nH+]1 238535636 573845980 /nfs/dbraw/zinc/84/59/80/573845980.db2.gz DRGUZQCDCBXMPU-UHFFFAOYSA-N 2 2 187.246 1.844 10 0 ADAELP CCC[C@@](C)([NH3+])C[N@@H+]1CC[C@@H](F)C1 689911417 573846123 /nfs/dbraw/zinc/84/61/23/573846123.db2.gz DNYCEXFYVNSUFJ-NXEZZACHSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@@](C)([NH3+])C[N@H+]1CC[C@@H](F)C1 689911417 573846130 /nfs/dbraw/zinc/84/61/30/573846130.db2.gz DNYCEXFYVNSUFJ-NXEZZACHSA-N 2 2 188.290 1.548 10 0 ADAELP COc1ccccc1[C@@H]1[NH2+]CC[C@H]1[NH3+] 84352719 573846214 /nfs/dbraw/zinc/84/62/14/573846214.db2.gz ABLFXYXNUOVNAI-KOLCDFICSA-N 2 2 192.262 1.057 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@@H+]1CCC(C)(C)C1 87252170 573846239 /nfs/dbraw/zinc/84/62/39/573846239.db2.gz ZDKWSAWPADDVSP-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@H+]1CCC(C)(C)C1 87252170 573846246 /nfs/dbraw/zinc/84/62/46/573846246.db2.gz ZDKWSAWPADDVSP-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C(N)=[NH2+])[NH+](CC)CC 43545409 573846284 /nfs/dbraw/zinc/84/62/84/573846284.db2.gz QEJSRGDOEQTEHG-SSDOTTSWSA-N 2 2 157.261 1.043 10 0 ADAELP C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C[NH3+] 257888552 573849586 /nfs/dbraw/zinc/84/95/86/573849586.db2.gz WQBQHCXUGCEHOT-NWDGAFQWSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C[NH3+] 257888552 573849588 /nfs/dbraw/zinc/84/95/88/573849588.db2.gz WQBQHCXUGCEHOT-NWDGAFQWSA-N 2 2 190.290 1.433 10 0 ADAELP CC(C)(C[NH2+]C[NH3+])c1ccc(F)cc1 258971710 573849667 /nfs/dbraw/zinc/84/96/67/573849667.db2.gz XBMCDYXMDRONCC-UHFFFAOYSA-N 2 2 196.269 1.609 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCC(C)(C)C1 87252194 573849203 /nfs/dbraw/zinc/84/92/03/573849203.db2.gz HIYCQPDTTPHOHQ-BDAKNGLRSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC(C)(C)C1 87252194 573849210 /nfs/dbraw/zinc/84/92/10/573849210.db2.gz HIYCQPDTTPHOHQ-BDAKNGLRSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[NH+](CC)CC 43545407 573849220 /nfs/dbraw/zinc/84/92/20/573849220.db2.gz QEJSRGDOEQTEHG-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252110 573849231 /nfs/dbraw/zinc/84/92/31/573849231.db2.gz JPAAGIBHRYUTLQ-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+]1CCC(C)(C)C1 87252110 573849238 /nfs/dbraw/zinc/84/92/38/573849238.db2.gz JPAAGIBHRYUTLQ-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP CC1(C)CC[N@@H+]([C@H]2CCCC[C@@H]2[NH3+])C1 87252036 573849290 /nfs/dbraw/zinc/84/92/90/573849290.db2.gz RKQSDHJQLHOFRJ-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[N@H+]([C@H]2CCCC[C@@H]2[NH3+])C1 87252036 573849294 /nfs/dbraw/zinc/84/92/94/573849294.db2.gz RKQSDHJQLHOFRJ-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87252011 573849336 /nfs/dbraw/zinc/84/93/36/573849336.db2.gz UWZSKUFKZLXZGJ-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87252011 573849342 /nfs/dbraw/zinc/84/93/42/573849342.db2.gz UWZSKUFKZLXZGJ-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@@H+]1CCC(C)(C)C1 87254861 573851283 /nfs/dbraw/zinc/85/12/83/573851283.db2.gz DZQBIIUZDKALSM-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@H+]1CCC(C)(C)C1 87254861 573851286 /nfs/dbraw/zinc/85/12/86/573851286.db2.gz DZQBIIUZDKALSM-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@](C)(C[NH3+])[NH2+]Cc1cc(C)no1 308453988 573850811 /nfs/dbraw/zinc/85/08/11/573850811.db2.gz DEFCTGUSEHHQRL-SNVBAGLBSA-N 2 2 197.282 1.200 10 0 ADAELP CC1(C)CC[N@H+](CC2([NH3+])CCCC2)C1 87254981 573850860 /nfs/dbraw/zinc/85/08/60/573850860.db2.gz KKNPJDLKDXHYAL-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP CC1(C)CC[N@@H+](CC2([NH3+])CCCC2)C1 87254981 573850864 /nfs/dbraw/zinc/85/08/64/573850864.db2.gz KKNPJDLKDXHYAL-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP CC1(C)CC[N@@H+](C[C@@](C)([NH3+])C2CC2)C1 87255153 573850921 /nfs/dbraw/zinc/85/09/21/573850921.db2.gz DQUOYJPWGCHIAB-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP CC1(C)CC[N@H+](C[C@@](C)([NH3+])C2CC2)C1 87255153 573850922 /nfs/dbraw/zinc/85/09/22/573850922.db2.gz DQUOYJPWGCHIAB-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP Cc1ccc([C@H]2CC[NH2+]C[C@H]2F)c[nH+]1 238541479 573850923 /nfs/dbraw/zinc/85/09/23/573850923.db2.gz QGCRSPZMOQMAFG-GHMZBOCLSA-N 2 2 194.253 1.805 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1C[NH2+]CC(F)F 147811363 573851002 /nfs/dbraw/zinc/85/10/02/573851002.db2.gz RLPQSHUQKOALBE-JGVFFNPUSA-N 2 2 192.253 1.359 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCC(C)(C)C1 87254810 573851186 /nfs/dbraw/zinc/85/11/86/573851186.db2.gz LWIDFHJVJHDMKX-SSDOTTSWSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+]1CCC(C)(C)C1 87254810 573851190 /nfs/dbraw/zinc/85/11/90/573851190.db2.gz LWIDFHJVJHDMKX-SSDOTTSWSA-N 2 2 169.272 1.043 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1C[NH2+]CC(F)F 147811768 573852695 /nfs/dbraw/zinc/85/26/95/573852695.db2.gz RLPQSHUQKOALBE-HTQZYQBOSA-N 2 2 192.253 1.359 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[NH3+])c(C)c1C 258969561 573853378 /nfs/dbraw/zinc/85/33/78/573853378.db2.gz CWSYBUUOXMYQSZ-LLVKDONJSA-N 2 2 178.279 1.570 10 0 ADAELP C[NH2+]C1(C[N@H+](C)[C@@H](C)C2CC2)CCC1 308454194 573853105 /nfs/dbraw/zinc/85/31/05/573853105.db2.gz BBOAKHSAMVVCHR-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]C1(C[N@@H+](C)[C@@H](C)C2CC2)CCC1 308454194 573853109 /nfs/dbraw/zinc/85/31/09/573853109.db2.gz BBOAKHSAMVVCHR-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP CCCC(C)(C)[N@@H+]1CCC[NH2+]CC1 122918355 573853189 /nfs/dbraw/zinc/85/31/89/573853189.db2.gz DIVOBGNCDZQHNL-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCCC(C)(C)[N@H+]1CCC[NH2+]CC1 122918355 573853195 /nfs/dbraw/zinc/85/31/95/573853195.db2.gz DIVOBGNCDZQHNL-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP [NH3+][C@H]1CC[C@H](Oc2cc[nH+]cc2)CC1 109494724 573853348 /nfs/dbraw/zinc/85/33/48/573853348.db2.gz KOPZKNIPFUAFAM-AOOOYVTPSA-N 2 2 192.262 1.730 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCC(C)(C)C1 87254856 573854634 /nfs/dbraw/zinc/85/46/34/573854634.db2.gz DZQBIIUZDKALSM-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+]1CCC(C)(C)C1 87254856 573854639 /nfs/dbraw/zinc/85/46/39/573854639.db2.gz DZQBIIUZDKALSM-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[NH3+])c(C)c1C 258969655 573854651 /nfs/dbraw/zinc/85/46/51/573854651.db2.gz CWSYBUUOXMYQSZ-NSHDSACASA-N 2 2 178.279 1.570 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255120 573854668 /nfs/dbraw/zinc/85/46/68/573854668.db2.gz XPSKZBKLFYBSIC-JTQLQIEISA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255120 573854676 /nfs/dbraw/zinc/85/46/76/573854676.db2.gz XPSKZBKLFYBSIC-JTQLQIEISA-N 2 2 184.327 1.702 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@@H+]1CCC(C)(C)C1 87254859 573854813 /nfs/dbraw/zinc/85/48/13/573854813.db2.gz DZQBIIUZDKALSM-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@H+]1CCC(C)(C)C1 87254859 573854821 /nfs/dbraw/zinc/85/48/21/573854821.db2.gz DZQBIIUZDKALSM-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@](C)(C[NH3+])[NH2+]Cc1cc(C)no1 308453985 573855005 /nfs/dbraw/zinc/85/50/05/573855005.db2.gz DEFCTGUSEHHQRL-JTQLQIEISA-N 2 2 197.282 1.200 10 0 ADAELP CC1(C)CC[N@@H+](C[C@](C)([NH3+])C2CC2)C1 87255151 573855040 /nfs/dbraw/zinc/85/50/40/573855040.db2.gz DQUOYJPWGCHIAB-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP CC1(C)CC[N@H+](C[C@](C)([NH3+])C2CC2)C1 87255151 573855043 /nfs/dbraw/zinc/85/50/43/573855043.db2.gz DQUOYJPWGCHIAB-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccccc1C 258973307 573855138 /nfs/dbraw/zinc/85/51/38/573855138.db2.gz XJTNGQKZQQGYLN-UHFFFAOYSA-N 2 2 178.279 1.304 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC(C)(C)C1 87254808 573856353 /nfs/dbraw/zinc/85/63/53/573856353.db2.gz LWIDFHJVJHDMKX-ZETCQYMHSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCC(C)(C)C1 87254808 573856358 /nfs/dbraw/zinc/85/63/58/573856358.db2.gz LWIDFHJVJHDMKX-ZETCQYMHSA-N 2 2 169.272 1.043 10 0 ADAELP CC1(C)CC[N@H+](C[C@@]2(C)CCC[NH2+]2)C1 87255253 573856378 /nfs/dbraw/zinc/85/63/78/573856378.db2.gz WNFAIJLWYZWARC-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[N@@H+](C[C@@]2(C)CCC[NH2+]2)C1 87255253 573856382 /nfs/dbraw/zinc/85/63/82/573856382.db2.gz WNFAIJLWYZWARC-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+]1CC[C@]([NH3+])(c2ccccc2)C1 84333251 573858078 /nfs/dbraw/zinc/85/80/78/573858078.db2.gz XXQAZLHFYUXHDT-LLVKDONJSA-N 2 2 176.263 1.176 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(c2ccccc2)C1 84333251 573858083 /nfs/dbraw/zinc/85/80/83/573858083.db2.gz XXQAZLHFYUXHDT-LLVKDONJSA-N 2 2 176.263 1.176 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc([C@H]2C[C@@H]2C)o1 224304898 573858195 /nfs/dbraw/zinc/85/81/95/573858195.db2.gz KYICOLLVUKCITE-CIUDSAMLSA-N 2 2 194.278 1.622 10 0 ADAELP Cc1cc2c(c([C@@H]([NH3+])C[NH3+])c1)CCC2 238543957 573858336 /nfs/dbraw/zinc/85/83/36/573858336.db2.gz PROUOKSSXMEKSW-LBPRGKRZSA-N 2 2 190.290 1.442 10 0 ADAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])c2ccco2)C1 84335546 573858407 /nfs/dbraw/zinc/85/84/07/573858407.db2.gz NZUUUWGDCPKMPP-WPRPVWTQSA-N 2 2 180.251 1.231 10 0 ADAELP C[N@H+]1CC[C@H]([C@H]([NH3+])c2ccco2)C1 84335546 573858414 /nfs/dbraw/zinc/85/84/14/573858414.db2.gz NZUUUWGDCPKMPP-WPRPVWTQSA-N 2 2 180.251 1.231 10 0 ADAELP C[N@@H+]1CC[C@]([NH3+])(c2cccs2)C1 84337138 573860932 /nfs/dbraw/zinc/86/09/32/573860932.db2.gz VPSKXQDHAAXHDY-SECBINFHSA-N 2 2 182.292 1.238 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(c2cccs2)C1 84337138 573860936 /nfs/dbraw/zinc/86/09/36/573860936.db2.gz VPSKXQDHAAXHDY-SECBINFHSA-N 2 2 182.292 1.238 10 0 ADAELP CCC[C@@H](C[NH3+])C[NH2+]CC(F)F 147813421 573861476 /nfs/dbraw/zinc/86/14/76/573861476.db2.gz QKOOKAVBVKCTDS-ZETCQYMHSA-N 2 2 180.242 1.216 10 0 ADAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])c2cncs2)C1 84361515 573864646 /nfs/dbraw/zinc/86/46/46/573864646.db2.gz SIMOLLHQRIOALS-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H]([C@H]([NH3+])c2cncs2)C1 84361515 573864653 /nfs/dbraw/zinc/86/46/53/573864653.db2.gz SIMOLLHQRIOALS-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP CC[C@@H](C[NH3+])[NH2+]Cc1ccncc1F 393594332 573864697 /nfs/dbraw/zinc/86/46/97/573864697.db2.gz BZGRCIRMFSNRJD-VIFPVBQESA-N 2 2 197.257 1.048 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CC1CC1 43905130 573872183 /nfs/dbraw/zinc/87/21/83/573872183.db2.gz PCLWWALYNGXIKB-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CC1CC1 43905130 573872186 /nfs/dbraw/zinc/87/21/86/573872186.db2.gz PCLWWALYNGXIKB-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)CC(C)C 43886546 573871136 /nfs/dbraw/zinc/87/11/36/573871136.db2.gz POUDDHKXLKXQBS-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)CC(C)C 43886546 573871143 /nfs/dbraw/zinc/87/11/43/573871143.db2.gz POUDDHKXLKXQBS-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP CC[NH2+][C@H]1CCC[C@H]1[N@H+](C)CC1CC1 43905786 573871226 /nfs/dbraw/zinc/87/12/26/573871226.db2.gz XOPXJJBPBRUAPW-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CC1CC1 43905786 573871231 /nfs/dbraw/zinc/87/12/31/573871231.db2.gz XOPXJJBPBRUAPW-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@H](C)/C=C\c1c[nH+]cn1CC 308458810 573871287 /nfs/dbraw/zinc/87/12/87/573871287.db2.gz YQHPHBWPSDQTQM-JYESYGNLSA-N 2 2 193.294 1.914 10 0 ADAELP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](C)C1CC1 43823953 573871315 /nfs/dbraw/zinc/87/13/15/573871315.db2.gz CZVCMGKTPUVKNW-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C1CC1 43823953 573871322 /nfs/dbraw/zinc/87/13/22/573871322.db2.gz CZVCMGKTPUVKNW-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@H](C)[C@H](C)[NH+](C)C 43816341 573871441 /nfs/dbraw/zinc/87/14/41/573871441.db2.gz HKXKXHMEIUGFJA-BDAKNGLRSA-N 2 2 158.289 1.325 10 0 ADAELP CC(C)[C@H]([NH3+])[NH+]1CCCCC1 238165403 573871507 /nfs/dbraw/zinc/87/15/07/573871507.db2.gz PNXHMDNODSECAQ-SECBINFHSA-N 2 2 156.273 1.413 10 0 ADAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)CC(C)C 43886544 573871522 /nfs/dbraw/zinc/87/15/22/573871522.db2.gz POUDDHKXLKXQBS-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)CC(C)C 43886544 573871527 /nfs/dbraw/zinc/87/15/27/573871527.db2.gz POUDDHKXLKXQBS-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP C[C@H](c1ccoc1)[N@@H+]1CCC[NH2+]CC1 87290681 573871648 /nfs/dbraw/zinc/87/16/48/573871648.db2.gz XZDUNIHYEAJBLF-SNVBAGLBSA-N 2 2 194.278 1.636 10 0 ADAELP C[C@H](c1ccoc1)[N@H+]1CCC[NH2+]CC1 87290681 573871654 /nfs/dbraw/zinc/87/16/54/573871654.db2.gz XZDUNIHYEAJBLF-SNVBAGLBSA-N 2 2 194.278 1.636 10 0 ADAELP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CC1CC1 43905778 573871690 /nfs/dbraw/zinc/87/16/90/573871690.db2.gz XOPXJJBPBRUAPW-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CC1CC1 43905778 573871696 /nfs/dbraw/zinc/87/16/96/573871696.db2.gz XOPXJJBPBRUAPW-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43887422 573872243 /nfs/dbraw/zinc/87/22/43/573872243.db2.gz UXUIEWBCNNMESN-AEJSXWLSSA-N 2 2 172.316 1.713 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43887422 573872248 /nfs/dbraw/zinc/87/22/48/573872248.db2.gz UXUIEWBCNNMESN-AEJSXWLSSA-N 2 2 172.316 1.713 10 0 ADAELP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)C1CC1 43822581 573872397 /nfs/dbraw/zinc/87/23/97/573872397.db2.gz LNRGVRMWZVQGCR-WCBMZHEXSA-N 2 2 170.300 1.467 10 0 ADAELP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)C1CC1 43822581 573872408 /nfs/dbraw/zinc/87/24/08/573872408.db2.gz LNRGVRMWZVQGCR-WCBMZHEXSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@@H](c1ccoc1)[N@@H+]1CC[C@H]([NH3+])C1 87290694 573872428 /nfs/dbraw/zinc/87/24/28/573872428.db2.gz DGXGJYWIGYWXTP-WPRPVWTQSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@@H](c1ccoc1)[N@H+]1CC[C@H]([NH3+])C1 87290694 573872434 /nfs/dbraw/zinc/87/24/34/573872434.db2.gz DGXGJYWIGYWXTP-WPRPVWTQSA-N 2 2 180.251 1.374 10 0 ADAELP Cc1cccc([C@@]2([NH3+])CC[N@@H+](C)C2)c1 84350508 573872738 /nfs/dbraw/zinc/87/27/38/573872738.db2.gz CCQPRXLBOJGXBH-GFCCVEGCSA-N 2 2 190.290 1.485 10 0 ADAELP Cc1cccc([C@@]2([NH3+])CC[N@H+](C)C2)c1 84350508 573872746 /nfs/dbraw/zinc/87/27/46/573872746.db2.gz CCQPRXLBOJGXBH-GFCCVEGCSA-N 2 2 190.290 1.485 10 0 ADAELP C[N@@H+]1CC[C@]([NH3+])(Cc2ccccc2)C1 84350492 573872776 /nfs/dbraw/zinc/87/27/76/573872776.db2.gz JMKIYQCXAWCWIP-LBPRGKRZSA-N 2 2 190.290 1.262 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(Cc2ccccc2)C1 84350492 573872779 /nfs/dbraw/zinc/87/27/79/573872779.db2.gz JMKIYQCXAWCWIP-LBPRGKRZSA-N 2 2 190.290 1.262 10 0 ADAELP CCC[NH2+][C@H](CC)[C@@H](C)[NH+](C)C 43816213 573872891 /nfs/dbraw/zinc/87/28/91/573872891.db2.gz AWOPUKREIHUHER-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP Cc1ccccc1[C@@]1([NH3+])CC[N@@H+](C)C1 84350531 573872948 /nfs/dbraw/zinc/87/29/48/573872948.db2.gz ICUXFQSSNYZUPQ-GFCCVEGCSA-N 2 2 190.290 1.485 10 0 ADAELP Cc1ccccc1[C@@]1([NH3+])CC[N@H+](C)C1 84350531 573872953 /nfs/dbraw/zinc/87/29/53/573872953.db2.gz ICUXFQSSNYZUPQ-GFCCVEGCSA-N 2 2 190.290 1.485 10 0 ADAELP CC/C(=C/c1c[nH+]cn1C1CC1)C[NH3+] 211629765 573873026 /nfs/dbraw/zinc/87/30/26/573873026.db2.gz OOIZZVPWXMIHOO-UITAMQMPSA-N 2 2 191.278 1.970 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CC1CC1 43905774 573873039 /nfs/dbraw/zinc/87/30/39/573873039.db2.gz XOPXJJBPBRUAPW-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CC1CC1 43905774 573873043 /nfs/dbraw/zinc/87/30/43/573873043.db2.gz XOPXJJBPBRUAPW-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1cscc1C[N@@H+]1CC[C@@H]([NH3+])C1 87310923 573874679 /nfs/dbraw/zinc/87/46/79/573874679.db2.gz MQDQASGYQTTZNR-SNVBAGLBSA-N 2 2 196.319 1.590 10 0 ADAELP Cc1cscc1C[N@H+]1CC[C@@H]([NH3+])C1 87310923 573874687 /nfs/dbraw/zinc/87/46/87/573874687.db2.gz MQDQASGYQTTZNR-SNVBAGLBSA-N 2 2 196.319 1.590 10 0 ADAELP CCC[N@H+](CC)[C@H]1CCC[C@@H]1[NH2+]C 43884316 573874702 /nfs/dbraw/zinc/87/47/02/573874702.db2.gz FKTFZWQVPHOIGN-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[NH2+][C@@H](C[NH+](C)C)C(C)(C)C 43815999 573873811 /nfs/dbraw/zinc/87/38/11/573873811.db2.gz MVUUYIFVGOXMGW-VIFPVBQESA-N 2 2 172.316 1.572 10 0 ADAELP C/C(=C\c1c[nH+]cn1C(C)C)C[NH3+] 211746347 573873819 /nfs/dbraw/zinc/87/38/19/573873819.db2.gz ROXYQGOLIAZSHZ-RUDMXATFSA-N 2 2 179.267 1.826 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CCC[C@@H]1[NH2+]C 43884316 573874705 /nfs/dbraw/zinc/87/47/05/573874705.db2.gz FKTFZWQVPHOIGN-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@H+]1CC[C@@]([NH3+])(c2ccc(F)cc2)C1 84355641 573873833 /nfs/dbraw/zinc/87/38/33/573873833.db2.gz JCYQGURRJZEWAN-NSHDSACASA-N 2 2 194.253 1.315 10 0 ADAELP CC[NH2+][C@@H](CC)[C@H](C)[NH+](C)C 43816026 573873916 /nfs/dbraw/zinc/87/39/16/573873916.db2.gz MPGQEBFCDPVTMI-IUCAKERBSA-N 2 2 158.289 1.325 10 0 ADAELP CCn1c[nH+]cc1/C=C(\C[NH3+])C(C)C 211631137 573874013 /nfs/dbraw/zinc/87/40/13/573874013.db2.gz CSYZBBAZNYFUBO-BJMVGYQFSA-N 2 2 193.294 1.901 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc2c(c1)CCC2 258978677 573874099 /nfs/dbraw/zinc/87/40/99/573874099.db2.gz DSKIMQUVEQSLOW-GFCCVEGCSA-N 2 2 190.290 1.395 10 0 ADAELP CC[NH2+][C@@H](CC)[C@@H](C)[NH+](C)C 43816023 573874149 /nfs/dbraw/zinc/87/41/49/573874149.db2.gz MPGQEBFCDPVTMI-BDAKNGLRSA-N 2 2 158.289 1.325 10 0 ADAELP CCC[NH2+][C@@H](C)[C@@H](C)[NH+](C)C 43816338 573874234 /nfs/dbraw/zinc/87/42/34/573874234.db2.gz HKXKXHMEIUGFJA-DTWKUNHWSA-N 2 2 158.289 1.325 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 43887205 573874380 /nfs/dbraw/zinc/87/43/80/573874380.db2.gz HUJDNPUNXHCGEZ-OUAUKWLOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 43887205 573874392 /nfs/dbraw/zinc/87/43/92/573874392.db2.gz HUJDNPUNXHCGEZ-OUAUKWLOSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1CCC[C@H](Cc2[nH+]ccn2C)[NH2+]1 235662749 573874424 /nfs/dbraw/zinc/87/44/24/573874424.db2.gz HEERACHSIIADSR-VHSXEESVSA-N 2 2 193.294 1.493 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+](C)[C@H](C)C1CC1 43894854 573874517 /nfs/dbraw/zinc/87/45/17/573874517.db2.gz DESDQJAXIVOZJI-KXUCPTDWSA-N 2 2 184.327 1.713 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)[C@H](C)C1CC1 43894854 573874522 /nfs/dbraw/zinc/87/45/22/573874522.db2.gz DESDQJAXIVOZJI-KXUCPTDWSA-N 2 2 184.327 1.713 10 0 ADAELP Cc1[nH]c(CC(C)C)[nH+]c1C1C[NH2+]C1 257891767 573874557 /nfs/dbraw/zinc/87/45/57/573874557.db2.gz XFIUDIJJIFOMTR-UHFFFAOYSA-N 2 2 193.294 1.603 10 0 ADAELP CC[C@H]1CCC[N@@H+]1C[C@@H](C)[NH2+]C 43904155 573875676 /nfs/dbraw/zinc/87/56/76/573875676.db2.gz JCZNROCIISPHNA-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H]1CCC[N@H+]1C[C@@H](C)[NH2+]C 43904155 573875681 /nfs/dbraw/zinc/87/56/81/573875681.db2.gz JCZNROCIISPHNA-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43887420 573874815 /nfs/dbraw/zinc/87/48/15/573874815.db2.gz UXUIEWBCNNMESN-BBBLOLIVSA-N 2 2 172.316 1.713 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43887420 573874819 /nfs/dbraw/zinc/87/48/19/573874819.db2.gz UXUIEWBCNNMESN-BBBLOLIVSA-N 2 2 172.316 1.713 10 0 ADAELP CCC[NH2+][C@@H](C[NH+](C)C)C(C)(C)C 43816188 573874987 /nfs/dbraw/zinc/87/49/87/573874987.db2.gz ONUAKDNSWCRBGC-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)C1CC1 43822575 573875011 /nfs/dbraw/zinc/87/50/11/573875011.db2.gz LNRGVRMWZVQGCR-PSASIEDQSA-N 2 2 170.300 1.467 10 0 ADAELP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)C1CC1 43822575 573875016 /nfs/dbraw/zinc/87/50/16/573875016.db2.gz LNRGVRMWZVQGCR-PSASIEDQSA-N 2 2 170.300 1.467 10 0 ADAELP Cc1cn(-c2ccc[nH+]c2N)c[nH+]1 238551817 573875147 /nfs/dbraw/zinc/87/51/47/573875147.db2.gz SEIISIHUYJNTNX-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccc(C)cc1 258978618 573875364 /nfs/dbraw/zinc/87/53/64/573875364.db2.gz XUCGPALJEYQUEA-UHFFFAOYSA-N 2 2 178.279 1.304 10 0 ADAELP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)CC(C)C 43886548 573875442 /nfs/dbraw/zinc/87/54/42/573875442.db2.gz POUDDHKXLKXQBS-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)CC(C)C 43886548 573875450 /nfs/dbraw/zinc/87/54/50/573875450.db2.gz POUDDHKXLKXQBS-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP Cc1cscc1C[NH2+]CC[NH3+] 87310364 573875507 /nfs/dbraw/zinc/87/55/07/573875507.db2.gz LDVCEMMNQYLUSM-UHFFFAOYSA-N 2 2 170.281 1.105 10 0 ADAELP C[NH2+]CN(C)c1ccc2[nH]c[nH+]c2c1 258976478 573875531 /nfs/dbraw/zinc/87/55/31/573875531.db2.gz XOYBWRRTEQJFFO-UHFFFAOYSA-N 2 2 190.250 1.176 10 0 ADAELP Cc1cn(-c2c[nH+]ccc2N)c[nH+]1 238551976 573875605 /nfs/dbraw/zinc/87/56/05/573875605.db2.gz UXBBZCACUYGFQE-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(c2ccc(F)cc2)C1 84355638 573875607 /nfs/dbraw/zinc/87/56/07/573875607.db2.gz JCYQGURRJZEWAN-LLVKDONJSA-N 2 2 194.253 1.315 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CCC[C@@H]1[NH2+]C 43884314 573875643 /nfs/dbraw/zinc/87/56/43/573875643.db2.gz FKTFZWQVPHOIGN-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1[NH2+]C 43884314 573875650 /nfs/dbraw/zinc/87/56/50/573875650.db2.gz FKTFZWQVPHOIGN-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP Cc1[nH+]c(N)ccc1[C@H]1CCC[C@@H]1[NH3+] 238551486 573877322 /nfs/dbraw/zinc/87/73/22/573877322.db2.gz UBDSYSPHFDMAEF-ZJUUUORDSA-N 2 2 191.278 1.567 10 0 ADAELP C[NH+](C)c1ccc(NC2C[NH2+]C2)cc1 84416949 573877691 /nfs/dbraw/zinc/87/76/91/573877691.db2.gz ZOKHNENKLXDHDN-UHFFFAOYSA-N 2 2 191.278 1.136 10 0 ADAELP [NH3+]C[C@@]1(c2ccccc2)CCCC[NH2+]1 258171608 573877899 /nfs/dbraw/zinc/87/78/99/573877899.db2.gz MGQZFDSSPCHIJY-GFCCVEGCSA-N 2 2 190.290 1.614 10 0 ADAELP CC[NH2+][C@H](CC)[C@@H](C)n1cc[nH+]c1 43992932 573877909 /nfs/dbraw/zinc/87/79/09/573877909.db2.gz XNJDUHQULJDCRW-NXEZZACHSA-N 2 2 181.283 1.832 10 0 ADAELP Cc1cscc1C[N@@H+]1CC[C@H]([NH3+])C1 87310922 573877917 /nfs/dbraw/zinc/87/79/17/573877917.db2.gz MQDQASGYQTTZNR-JTQLQIEISA-N 2 2 196.319 1.590 10 0 ADAELP Cc1cscc1C[N@H+]1CC[C@H]([NH3+])C1 87310922 573877920 /nfs/dbraw/zinc/87/79/20/573877920.db2.gz MQDQASGYQTTZNR-JTQLQIEISA-N 2 2 196.319 1.590 10 0 ADAELP CCC[C@H]([NH3+])C[NH2+]Cc1cncs1 131582842 573879940 /nfs/dbraw/zinc/87/99/40/573879940.db2.gz KNLIHLYSWNDJCZ-QMMMGPOBSA-N 2 2 199.323 1.360 10 0 ADAELP [NH3+]C1(Cc2cccc3[nH+]c[nH]c23)CC1 258171194 573879190 /nfs/dbraw/zinc/87/91/90/573879190.db2.gz VXIYLQQYXZUIJE-UHFFFAOYSA-N 2 2 187.246 1.597 10 0 ADAELP CC[NH2+][C@H](C)[C@H](C)n1cc[nH+]c1 43992586 573879227 /nfs/dbraw/zinc/87/92/27/573879227.db2.gz RKSALCPZGDKWEU-BDAKNGLRSA-N 2 2 167.256 1.442 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H](C)n1cc[nH+]c1 43993154 573879323 /nfs/dbraw/zinc/87/93/23/573879323.db2.gz JRQWKBDGBBRSLI-BDAKNGLRSA-N 2 2 167.256 1.442 10 0 ADAELP CCC[N@@H+](CC1CC1)C[C@@H](C)[NH2+]C 43967367 573879503 /nfs/dbraw/zinc/87/95/03/573879503.db2.gz AWESNXIQTTYXEY-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[N@H+](CC1CC1)C[C@@H](C)[NH2+]C 43967367 573879506 /nfs/dbraw/zinc/87/95/06/573879506.db2.gz AWESNXIQTTYXEY-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1cc(C)c([C@H]([NH3+])C(C)C)c(N)[nH+]1 238165544 573879655 /nfs/dbraw/zinc/87/96/55/573879655.db2.gz GEBZICQJHHFNQA-SNVBAGLBSA-N 2 2 193.294 1.936 10 0 ADAELP CCC[NH2+][C@H](C)CCn1cc[nH+]c1 43992404 573879816 /nfs/dbraw/zinc/87/98/16/573879816.db2.gz VZBPALFGTAKWOI-SNVBAGLBSA-N 2 2 181.283 1.661 10 0 ADAELP CCC[NH2+][C@@H](C)CCn1cc[nH+]c1 43992401 573879826 /nfs/dbraw/zinc/87/98/26/573879826.db2.gz VZBPALFGTAKWOI-JTQLQIEISA-N 2 2 181.283 1.661 10 0 ADAELP C[C@H](C1CCC1)[N@H+]1CCC[NH2+]CC1 76580742 573879863 /nfs/dbraw/zinc/87/98/63/573879863.db2.gz NIOPTJBMRBGZAV-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC[NH2+][C@H](C)[C@@H](C)n1cc[nH+]c1 43992582 573879872 /nfs/dbraw/zinc/87/98/72/573879872.db2.gz RKSALCPZGDKWEU-RKDXNWHRSA-N 2 2 167.256 1.442 10 0 ADAELP CCC[NH2+][C@H](C)[C@@H](C)n1cc[nH+]c1 43992451 573880432 /nfs/dbraw/zinc/88/04/32/573880432.db2.gz DJOQBKGSQMVSQM-NXEZZACHSA-N 2 2 181.283 1.832 10 0 ADAELP CC[NH2+][C@@H](CC)[C@@H](C)n1cc[nH+]c1 43992930 573880780 /nfs/dbraw/zinc/88/07/80/573880780.db2.gz XNJDUHQULJDCRW-ZJUUUORDSA-N 2 2 181.283 1.832 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2CC=CCC2)c[nH+]1 80122789 573880844 /nfs/dbraw/zinc/88/08/44/573880844.db2.gz GQLGYBFGHQBESZ-SNVBAGLBSA-N 2 2 191.278 1.916 10 0 ADAELP Cc1[nH]c2cccc(C=CC[NH3+])c2[nH+]1 258170995 573880966 /nfs/dbraw/zinc/88/09/66/573880966.db2.gz VTHURPKSIPURQO-HWKANZROSA-N 2 2 187.246 1.843 10 0 ADAELP CC[NH2+][C@H](CC)[C@H](C)n1cc[nH+]c1 43992936 573880969 /nfs/dbraw/zinc/88/09/69/573880969.db2.gz XNJDUHQULJDCRW-VHSXEESVSA-N 2 2 181.283 1.832 10 0 ADAELP Cc1[nH]c2c(C=CC[NH3+])cccc2[nH+]1 258170995 573880971 /nfs/dbraw/zinc/88/09/71/573880971.db2.gz VTHURPKSIPURQO-HWKANZROSA-N 2 2 187.246 1.843 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccc(OC)cc1 258980358 573880995 /nfs/dbraw/zinc/88/09/95/573880995.db2.gz XXTOWBRCILPXKF-UHFFFAOYSA-N 2 2 194.278 1.004 10 0 ADAELP CCC[NH2+][C@@H](C)[C@H](C)n1cc[nH+]c1 43992453 573881008 /nfs/dbraw/zinc/88/10/08/573881008.db2.gz DJOQBKGSQMVSQM-UWVGGRQHSA-N 2 2 181.283 1.832 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 259219813 573883278 /nfs/dbraw/zinc/88/32/78/573883278.db2.gz CYAGBIOZIDZDJE-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])C1(C)C 259219813 573883281 /nfs/dbraw/zinc/88/32/81/573883281.db2.gz CYAGBIOZIDZDJE-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1(C)C 259219826 573885643 /nfs/dbraw/zinc/88/56/43/573885643.db2.gz CYAGBIOZIDZDJE-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1(C)C 259219826 573885649 /nfs/dbraw/zinc/88/56/49/573885649.db2.gz CYAGBIOZIDZDJE-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CCc1[nH]c(C[C@@H]2CC[NH2+]C2)c[nH+]1 257893489 573885842 /nfs/dbraw/zinc/88/58/42/573885842.db2.gz NSSYBGIXWPZFFQ-QMMMGPOBSA-N 2 2 179.267 1.124 10 0 ADAELP Nc1c[nH+]cc([C@H]2CC[C@H]([NH3+])C2)c1 238561607 573889440 /nfs/dbraw/zinc/88/94/40/573889440.db2.gz DXRKTVTZXWATDC-CBAPKCEASA-N 2 2 177.251 1.259 10 0 ADAELP Cc1cc(C[NH2+][C@H](C)C[NH3+])c(C)o1 162059684 573889790 /nfs/dbraw/zinc/88/97/90/573889790.db2.gz BJCIOCFQVBKXIJ-SSDOTTSWSA-N 2 2 182.267 1.333 10 0 ADAELP Cc1cc(C[NH2+][C@@H](C)C[NH3+])c(C)o1 162059573 573893847 /nfs/dbraw/zinc/89/38/47/573893847.db2.gz BJCIOCFQVBKXIJ-ZETCQYMHSA-N 2 2 182.267 1.333 10 0 ADAELP [NH3+]C1CC(CNc2cccc[nH+]2)C1 84447807 573893281 /nfs/dbraw/zinc/89/32/81/573893281.db2.gz FUMCOXBWMYJGNC-UHFFFAOYSA-N 2 2 177.251 1.231 10 0 ADAELP CCc1ccc([C@@H]([NH3+])C2([NH3+])CC2)cc1 259223507 573893331 /nfs/dbraw/zinc/89/33/31/573893331.db2.gz FGKZWWGJESEPQB-LLVKDONJSA-N 2 2 190.290 1.740 10 0 ADAELP CCCc1c[nH]c([C@@H]2CC[NH2+]C2)[nH+]1 258991367 573895683 /nfs/dbraw/zinc/89/56/83/573895683.db2.gz BBLZQFHQHCDHMG-MRVPVSSYSA-N 2 2 179.267 1.439 10 0 ADAELP CCCc1c[nH]c([C@H]2CC[NH2+]C2)[nH+]1 258991371 573895929 /nfs/dbraw/zinc/89/59/29/573895929.db2.gz BBLZQFHQHCDHMG-QMMMGPOBSA-N 2 2 179.267 1.439 10 0 ADAELP C[C@@H]([N@@H+]1CCC[NH2+]CC1)C1(C)CC1 87364813 573896248 /nfs/dbraw/zinc/89/62/48/573896248.db2.gz LVDXUFPGVMSHKT-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]([N@H+]1CCC[NH2+]CC1)C1(C)CC1 87364813 573896253 /nfs/dbraw/zinc/89/62/53/573896253.db2.gz LVDXUFPGVMSHKT-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP [NH3+]C[C@@H]1[NH2+]CCc2cc(Cl)ccc21 257894998 573896683 /nfs/dbraw/zinc/89/66/83/573896683.db2.gz XWSIGODIWNXXGL-JTQLQIEISA-N 2 2 196.681 1.486 10 0 ADAELP C[C@@H]([NH3+])CCc1[nH]c(C2CCC2)c[nH+]1 258993413 573898157 /nfs/dbraw/zinc/89/81/57/573898157.db2.gz BHERPLDLKGEIGE-MRVPVSSYSA-N 2 2 193.294 1.957 10 0 ADAELP CCn1cc[nH+]c1C/C=C\CC[NH2+]C 211174747 573898362 /nfs/dbraw/zinc/89/83/62/573898362.db2.gz FSGKWVQATUKJJC-PLNGDYQASA-N 2 2 193.294 1.611 10 0 ADAELP CC(C)(C)C(C)(C)C[NH2+]C[NH3+] 258991804 573898585 /nfs/dbraw/zinc/89/85/85/573898585.db2.gz ZFMAWDNQKBDARF-UHFFFAOYSA-N 2 2 158.289 1.565 10 0 ADAELP CCC[NH2+][C@H](C)C[NH+]1CC(C)C1 716353660 573900507 /nfs/dbraw/zinc/90/05/07/573900507.db2.gz KSDNDOAJPLTLDB-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@H](C)C[NH+]1CC2(CCC2)C1 716353667 573900748 /nfs/dbraw/zinc/90/07/48/573900748.db2.gz KVDPBSXSLCONHW-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@@H](C)C[NH+]1CC2(CCC2)C1 716353670 573900757 /nfs/dbraw/zinc/90/07/57/573900757.db2.gz KVDPBSXSLCONHW-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@@H](C)C[NH+]1CC(C)C1 716353658 573900826 /nfs/dbraw/zinc/90/08/26/573900826.db2.gz KSDNDOAJPLTLDB-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP Cc1ccc([C@H]([NH3+])C2([NH3+])CC2)cc1 259230490 573900891 /nfs/dbraw/zinc/90/08/91/573900891.db2.gz FPCPGPMCIRRBBQ-JTQLQIEISA-N 2 2 176.263 1.486 10 0 ADAELP CCc1c[nH]c([C@H](C)C[NH3+])[nH+]1 259226282 573902588 /nfs/dbraw/zinc/90/25/88/573902588.db2.gz ZSXQJJIAQIOTRN-ZCFIWIBFSA-N 2 2 153.229 1.034 10 0 ADAELP C[N@@H+]1CCC[C@H]2CC(C)(C)[NH2+][C@H]2C1 76607471 573901874 /nfs/dbraw/zinc/90/18/74/573901874.db2.gz ZUGLYQMHBXERGL-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]2CC(C)(C)[NH2+][C@H]2C1 76607471 573901879 /nfs/dbraw/zinc/90/18/79/573901879.db2.gz ZUGLYQMHBXERGL-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CCc1c[nH]c([C@@H](C)C[NH3+])[nH+]1 259226277 573901950 /nfs/dbraw/zinc/90/19/50/573901950.db2.gz ZSXQJJIAQIOTRN-LURJTMIESA-N 2 2 153.229 1.034 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C2([NH3+])CC2)cc1 259230493 573902033 /nfs/dbraw/zinc/90/20/33/573902033.db2.gz FPCPGPMCIRRBBQ-SNVBAGLBSA-N 2 2 176.263 1.486 10 0 ADAELP C[NH+](C)[C@H](c1ccncc1)C(C)(C)[NH3+] 259231095 573902124 /nfs/dbraw/zinc/90/21/24/573902124.db2.gz AUUGSODYONJCDM-SNVBAGLBSA-N 2 2 193.294 1.422 10 0 ADAELP C[NH+](C)[C@@H](c1ccncc1)C(C)(C)[NH3+] 259231089 573902369 /nfs/dbraw/zinc/90/23/69/573902369.db2.gz AUUGSODYONJCDM-JTQLQIEISA-N 2 2 193.294 1.422 10 0 ADAELP Cc1cc2cccc(C[NH3+])c2c(N)[nH+]1 258177456 573904288 /nfs/dbraw/zinc/90/42/88/573904288.db2.gz MMNKUVUOJDWWPL-UHFFFAOYSA-N 2 2 187.246 1.584 10 0 ADAELP [NH3+][C@H](c1ccc[nH]1)[C@@H]1CCCC[NH2+]1 259230140 573904397 /nfs/dbraw/zinc/90/43/97/573904397.db2.gz HFZSHYORWRPFFU-WPRPVWTQSA-N 2 2 179.267 1.157 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@H+](C)C[C@H](C)[NH3+] 393568952 573904417 /nfs/dbraw/zinc/90/44/17/573904417.db2.gz ZMCMBNDHSNHYDL-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@@H+](C)C[C@H](C)[NH3+] 393568952 573904424 /nfs/dbraw/zinc/90/44/24/573904424.db2.gz ZMCMBNDHSNHYDL-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP [NH3+][C@@H](c1ccc[nH]1)[C@H]1CCCC[NH2+]1 259230134 573904578 /nfs/dbraw/zinc/90/45/78/573904578.db2.gz HFZSHYORWRPFFU-PSASIEDQSA-N 2 2 179.267 1.157 10 0 ADAELP [NH3+][C@H]1CCn2c([nH+]c3c2CCCC3)C1 74271647 573904641 /nfs/dbraw/zinc/90/46/41/573904641.db2.gz XKTCRXNHWICDJM-QMMMGPOBSA-N 2 2 191.278 1.035 10 0 ADAELP CC[C@H](C[NH2+]CC(C)C)[NH+]1CCC1 393553523 573906437 /nfs/dbraw/zinc/90/64/37/573906437.db2.gz XDENSWKSBRLQJR-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[NH2+]CC[N@@H+]1C[C@H]2CC[C@@H]1C2 44390599 573906490 /nfs/dbraw/zinc/90/64/90/573906490.db2.gz GARJOSCJSZKPFF-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP CCC[NH2+]CC[N@H+]1C[C@H]2CC[C@@H]1C2 44390599 573906493 /nfs/dbraw/zinc/90/64/93/573906493.db2.gz GARJOSCJSZKPFF-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP CC[NH2+][C@@H](C)C[N@H+](C)[C@@H](C)C(C)C 44472039 573906687 /nfs/dbraw/zinc/90/66/87/573906687.db2.gz RJPJNXFILOCUMA-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP CC[NH2+][C@@H](C)C[N@@H+](C)[C@@H](C)C(C)C 44472039 573906691 /nfs/dbraw/zinc/90/66/91/573906691.db2.gz RJPJNXFILOCUMA-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP C[C@H]([NH3+])c1ccnc(-n2cc[nH+]c2)c1 87413949 573906733 /nfs/dbraw/zinc/90/67/33/573906733.db2.gz SGQCKSVVCBLYDA-QMMMGPOBSA-N 2 2 188.234 1.287 10 0 ADAELP [NH3+][C@H]1CCC[N@H+]2CCC[C@H]2C1(F)F 257896923 573908571 /nfs/dbraw/zinc/90/85/71/573908571.db2.gz YBPIWLQNEGFHDE-YUMQZZPRSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@H](c1[nH]cc[nH+]1)c1cccs1 259002637 573908923 /nfs/dbraw/zinc/90/89/23/573908923.db2.gz BMBDTWJWRNLLAO-ZETCQYMHSA-N 2 2 193.275 1.562 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CCC[C@H]1C 44380197 573909062 /nfs/dbraw/zinc/90/90/62/573909062.db2.gz DTKYXDUAZYYAAO-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+]CC[N@H+]1CCC[C@H]1C 44380197 573909068 /nfs/dbraw/zinc/90/90/68/573909068.db2.gz DTKYXDUAZYYAAO-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+](CC(C)C)C(C)C 44472494 573909149 /nfs/dbraw/zinc/90/91/49/573909149.db2.gz QAYPZIBOKVHCDV-NSHDSACASA-N 2 2 186.343 1.961 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+](CC(C)C)C(C)C 44472494 573909154 /nfs/dbraw/zinc/90/91/54/573909154.db2.gz QAYPZIBOKVHCDV-NSHDSACASA-N 2 2 186.343 1.961 10 0 ADAELP C[C@H]([NH3+])c1cnc([C@@H]2CCC[N@@H+]2C)o1 257896612 573909939 /nfs/dbraw/zinc/90/99/39/573909939.db2.gz BMPPNLJUZHSVOQ-YUMQZZPRSA-N 2 2 195.266 1.461 10 0 ADAELP C[C@H]([NH3+])c1cnc([C@@H]2CCC[N@H+]2C)o1 257896612 573909942 /nfs/dbraw/zinc/90/99/42/573909942.db2.gz BMPPNLJUZHSVOQ-YUMQZZPRSA-N 2 2 195.266 1.461 10 0 ADAELP CCCC[N@H+](C)CC[NH2+]CC 44380491 573909991 /nfs/dbraw/zinc/90/99/91/573909991.db2.gz YTBJGYVCYDQJBT-UHFFFAOYSA-N 2 2 158.289 1.328 10 0 ADAELP CCCC[N@@H+](C)CC[NH2+]CC 44380491 573909995 /nfs/dbraw/zinc/90/99/95/573909995.db2.gz YTBJGYVCYDQJBT-UHFFFAOYSA-N 2 2 158.289 1.328 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CCC[C@@H]1C 44380193 573910100 /nfs/dbraw/zinc/91/01/00/573910100.db2.gz DTKYXDUAZYYAAO-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+]CC[N@H+]1CCC[C@@H]1C 44380193 573910103 /nfs/dbraw/zinc/91/01/03/573910103.db2.gz DTKYXDUAZYYAAO-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP [NH3+][C@@H]1CCC[N@H+]2CCC[C@@H]2C1(F)F 257896917 573910397 /nfs/dbraw/zinc/91/03/97/573910397.db2.gz YBPIWLQNEGFHDE-HTQZYQBOSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@@H](c1[nH]cc[nH+]1)c1cccs1 259002631 573910521 /nfs/dbraw/zinc/91/05/21/573910521.db2.gz BMBDTWJWRNLLAO-SSDOTTSWSA-N 2 2 193.275 1.562 10 0 ADAELP CCCC[N@H+](CC[NH2+]CC)C1CC1 44384139 573910535 /nfs/dbraw/zinc/91/05/35/573910535.db2.gz JEDDYBMVGLEKGP-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[N@@H+](CC[NH2+]CC)C1CC1 44384139 573910539 /nfs/dbraw/zinc/91/05/39/573910539.db2.gz JEDDYBMVGLEKGP-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCCCC[N@H+](C)CC[NH2+]CC 44380765 573910861 /nfs/dbraw/zinc/91/08/61/573910861.db2.gz LOHHVDQHYHLEAQ-UHFFFAOYSA-N 2 2 172.316 1.718 10 0 ADAELP CCCCC[N@@H+](C)CC[NH2+]CC 44380765 573910864 /nfs/dbraw/zinc/91/08/64/573910864.db2.gz LOHHVDQHYHLEAQ-UHFFFAOYSA-N 2 2 172.316 1.718 10 0 ADAELP CCCc1[nH+]cc2n1CCC[C@H]2[NH3+] 258454831 573911077 /nfs/dbraw/zinc/91/10/77/573911077.db2.gz PRRWEFVYTIEXJB-MRVPVSSYSA-N 2 2 179.267 1.629 10 0 ADAELP [NH3+][C@H]1CCC[N@H+]2CCC[C@@H]2C1(F)F 257896919 573911209 /nfs/dbraw/zinc/91/12/09/573911209.db2.gz YBPIWLQNEGFHDE-JGVFFNPUSA-N 2 2 190.237 1.207 10 0 ADAELP CC[C@@H](CNc1cccc[nH+]1)C[NH2+]C 259003524 573911384 /nfs/dbraw/zinc/91/13/84/573911384.db2.gz OAHPQWRPSNUHIL-SNVBAGLBSA-N 2 2 193.294 1.739 10 0 ADAELP CCCc1c[nH+]c(CC[C@@H](C)[NH3+])[nH]1 259001976 573911491 /nfs/dbraw/zinc/91/14/91/573911491.db2.gz CFLOTJLREXGQHC-MRVPVSSYSA-N 2 2 181.283 1.642 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])[C@@H]1Cc1ccccc1 76634740 573912792 /nfs/dbraw/zinc/91/27/92/573912792.db2.gz HIMRPNVGMLWXDM-NEPJUHHUSA-N 2 2 190.290 1.261 10 0 ADAELP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C 44562117 573912894 /nfs/dbraw/zinc/91/28/94/573912894.db2.gz AJMWIGOHGCLISI-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C 44562117 573912897 /nfs/dbraw/zinc/91/28/97/573912897.db2.gz AJMWIGOHGCLISI-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCCc1c[nH]c(CC(C)(C)[NH3+])[nH+]1 259001911 573912905 /nfs/dbraw/zinc/91/29/05/573912905.db2.gz CDVZYCULHJKSFS-UHFFFAOYSA-N 2 2 181.283 1.642 10 0 ADAELP CCCc1[nH+]cc2n1CCC[C@@H]2[NH3+] 258454832 573913052 /nfs/dbraw/zinc/91/30/52/573913052.db2.gz PRRWEFVYTIEXJB-QMMMGPOBSA-N 2 2 179.267 1.629 10 0 ADAELP Cc1cc[nH+]cc1NC[C@@H]1CCC[NH2+]1 235786778 573913161 /nfs/dbraw/zinc/91/31/61/573913161.db2.gz GKZDGVHRPPKWPT-JTQLQIEISA-N 2 2 191.278 1.554 10 0 ADAELP CC12[NH2+]CCCC1CCC[NH2+]2 238182619 573913275 /nfs/dbraw/zinc/91/32/75/573913275.db2.gz BQOUNSCJTHVEIA-UHFFFAOYSA-N 2 2 154.257 1.086 10 0 ADAELP C[NH2+][C@@H]1CCC(C)(C)[N@@H+](C(C)C)C1 259580907 573913385 /nfs/dbraw/zinc/91/33/85/573913385.db2.gz ZGHJOGOHOCJHDV-SNVBAGLBSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H]1CCC(C)(C)[N@H+](C(C)C)C1 259580907 573913391 /nfs/dbraw/zinc/91/33/91/573913391.db2.gz ZGHJOGOHOCJHDV-SNVBAGLBSA-N 2 2 184.327 1.857 10 0 ADAELP CCCc1c[nH+]c(CC[C@H](C)[NH3+])[nH]1 259001977 573913426 /nfs/dbraw/zinc/91/34/26/573913426.db2.gz CFLOTJLREXGQHC-QMMMGPOBSA-N 2 2 181.283 1.642 10 0 ADAELP CC[C@@H]1CCCC[N@@H+]1[C@@H]1C[NH2+]C[C@@H]1C 123069982 573916473 /nfs/dbraw/zinc/91/64/73/573916473.db2.gz HFBMEQSCOWWDMB-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCCC[N@H+]1[C@@H]1C[NH2+]C[C@@H]1C 123069982 573916475 /nfs/dbraw/zinc/91/64/75/573916475.db2.gz HFBMEQSCOWWDMB-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@H+](C)C1CCCC1 123069493 573916510 /nfs/dbraw/zinc/91/65/10/573916510.db2.gz RKINGCKAKJOCAB-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@@H+](C)C1CCCC1 123069493 573916516 /nfs/dbraw/zinc/91/65/16/573916516.db2.gz RKINGCKAKJOCAB-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP CC1[NH2+]C(C)(C)CC(C)(C)[NH2+]1 238185232 573916717 /nfs/dbraw/zinc/91/67/17/573916717.db2.gz QMZOMYOQCYOYSB-UHFFFAOYSA-N 2 2 156.273 1.473 10 0 ADAELP c1[nH]cc(CC[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)[nH+]1 308463225 573916828 /nfs/dbraw/zinc/91/68/28/573916828.db2.gz HAHQIRZNUQYDOR-DVVUODLYSA-N 2 2 191.278 1.340 10 0 ADAELP c1[nH]c(CC[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)c[nH+]1 308463225 573916834 /nfs/dbraw/zinc/91/68/34/573916834.db2.gz HAHQIRZNUQYDOR-DVVUODLYSA-N 2 2 191.278 1.340 10 0 ADAELP CC(C)Cc1c[nH]c([C@@H]2CC[NH2+]C2)[nH+]1 257899345 573917237 /nfs/dbraw/zinc/91/72/37/573917237.db2.gz YLCDOFIFUMKBDO-SECBINFHSA-N 2 2 193.294 1.685 10 0 ADAELP C1=C(c2c[nH]c[nH+]2)C[C@H]2C[NH2+]C[C@H]12 145075452 573919162 /nfs/dbraw/zinc/91/91/62/573919162.db2.gz HHWXPWIPHCTDHJ-IUCAKERBSA-N 2 2 175.235 1.032 10 0 ADAELP C[NH+]1CCC2(CC1)CC(F)(F)C[NH2+]2 259008862 573919173 /nfs/dbraw/zinc/91/91/73/573919173.db2.gz XNYCWRIFYAXIIZ-UHFFFAOYSA-N 2 2 190.237 1.079 10 0 ADAELP C1=C(c2c[nH]c[nH+]2)C[C@H]2C[NH2+]C[C@@H]12 145070257 573918699 /nfs/dbraw/zinc/91/86/99/573918699.db2.gz HHWXPWIPHCTDHJ-BDAKNGLRSA-N 2 2 175.235 1.032 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1ccc[nH]1 259238907 573919043 /nfs/dbraw/zinc/91/90/43/573919043.db2.gz HRBYUBLJSMQOFF-MRVPVSSYSA-N 2 2 167.256 1.013 10 0 ADAELP [NH3+]CC1(CNc2cccc[nH+]2)CCC1 259007974 573920304 /nfs/dbraw/zinc/92/03/04/573920304.db2.gz XDKAVUQECLPDFM-UHFFFAOYSA-N 2 2 191.278 1.623 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@@H]1C 147571301 573920398 /nfs/dbraw/zinc/92/03/98/573920398.db2.gz NCXSMFGGOCLJGU-LPEHRKFASA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@@H]1C 147571301 573920402 /nfs/dbraw/zinc/92/04/02/573920402.db2.gz NCXSMFGGOCLJGU-LPEHRKFASA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1ccc[nH]1 259238910 573920464 /nfs/dbraw/zinc/92/04/64/573920464.db2.gz HRBYUBLJSMQOFF-QMMMGPOBSA-N 2 2 167.256 1.013 10 0 ADAELP C[C@@H]([NH3+])C[C@@H]1C[NH2+]c2ccc(O)cc21 258182548 573920478 /nfs/dbraw/zinc/92/04/78/573920478.db2.gz STZGPIGCZJDKNU-HTQZYQBOSA-N 2 2 192.262 1.639 10 0 ADAELP CC[N@H+](C)C[C@H]1CCCCC[NH2+]1 81002844 573920551 /nfs/dbraw/zinc/92/05/51/573920551.db2.gz WBTUMMWCRAKTKQ-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC[N@@H+](C)C[C@H]1CCCCC[NH2+]1 81002844 573920556 /nfs/dbraw/zinc/92/05/56/573920556.db2.gz WBTUMMWCRAKTKQ-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCCc1cn2c([nH+]1)CCC[C@@H]2[NH3+] 258521628 573920931 /nfs/dbraw/zinc/92/09/31/573920931.db2.gz RXTGWJUUDGCJRW-SECBINFHSA-N 2 2 179.267 1.629 10 0 ADAELP Cc1[nH+]c(C(C)(C)C)[nH]c1C1C[NH2+]C1 257900541 573922115 /nfs/dbraw/zinc/92/21/15/573922115.db2.gz YSJLXLKQACBWQJ-UHFFFAOYSA-N 2 2 193.294 1.702 10 0 ADAELP Cc1[nH]c(C(C)(C)C)[nH+]c1C1C[NH2+]C1 257900541 573922121 /nfs/dbraw/zinc/92/21/21/573922121.db2.gz YSJLXLKQACBWQJ-UHFFFAOYSA-N 2 2 193.294 1.702 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1cc(F)ccc1OC 259238774 573922204 /nfs/dbraw/zinc/92/22/04/573922204.db2.gz HPRMSJXPGIZCDM-SECBINFHSA-N 2 2 198.241 1.054 10 0 ADAELP c1[nH]c(C2CCC2)[nH+]c1CC1C[NH2+]C1 257900573 573922333 /nfs/dbraw/zinc/92/23/33/573922333.db2.gz YSTHXKFCOZROHQ-UHFFFAOYSA-N 2 2 191.278 1.439 10 0 ADAELP c1[nH+]c(C2CCC2)[nH]c1CC1C[NH2+]C1 257900573 573922342 /nfs/dbraw/zinc/92/23/42/573922342.db2.gz YSTHXKFCOZROHQ-UHFFFAOYSA-N 2 2 191.278 1.439 10 0 ADAELP CC(C)[C@@H]1[NH2+]CC[C@H]2CCCC[N@@H+]21 238189202 573923882 /nfs/dbraw/zinc/92/38/82/573923882.db2.gz YGUAHDVPLPUCAC-GHMZBOCLSA-N 2 2 182.311 1.816 10 0 ADAELP CC(C)[C@@H]1[NH2+]CC[C@H]2CCCC[N@H+]21 238189202 573923895 /nfs/dbraw/zinc/92/38/95/573923895.db2.gz YGUAHDVPLPUCAC-GHMZBOCLSA-N 2 2 182.311 1.816 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+]1CC[C@H](F)C1 218377408 573924252 /nfs/dbraw/zinc/92/42/52/573924252.db2.gz PYRUFUJJHQNBJC-DTWKUNHWSA-N 2 2 174.263 1.014 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@H](F)C1 218377408 573924259 /nfs/dbraw/zinc/92/42/59/573924259.db2.gz PYRUFUJJHQNBJC-DTWKUNHWSA-N 2 2 174.263 1.014 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[NH+]1CCCCCC1 123095833 573930191 /nfs/dbraw/zinc/93/01/91/573930191.db2.gz HODGPHYCEAJLKO-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[C@H]1[NH2+]CC[C@@H]2CCCC[N@@H+]21 238199260 573930220 /nfs/dbraw/zinc/93/02/20/573930220.db2.gz YGUAHDVPLPUCAC-QWRGUYRKSA-N 2 2 182.311 1.816 10 0 ADAELP CC(C)[C@H]1[NH2+]CC[C@@H]2CCCC[N@H+]21 238199260 573930225 /nfs/dbraw/zinc/93/02/25/573930225.db2.gz YGUAHDVPLPUCAC-QWRGUYRKSA-N 2 2 182.311 1.816 10 0 ADAELP C[C@H](C[NH2+]CCCC(F)F)[NH+](C)C 688727242 573930412 /nfs/dbraw/zinc/93/04/12/573930412.db2.gz CHEOAWGBMRNNJG-MRVPVSSYSA-N 2 2 194.269 1.571 10 0 ADAELP CC[N@H+](C1CCCC1)[C@@H]1C[NH2+]C[C@@H]1C 123107528 573930463 /nfs/dbraw/zinc/93/04/63/573930463.db2.gz BGNONWKMDCQZMR-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@@H]1C[NH2+]C[C@@H]1C 123107528 573930465 /nfs/dbraw/zinc/93/04/65/573930465.db2.gz BGNONWKMDCQZMR-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[NH+]1CCCCCCC1 123098903 573930479 /nfs/dbraw/zinc/93/04/79/573930479.db2.gz DGYJXQCQLVNNST-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+](C)C1CCCCC1 123088686 573930562 /nfs/dbraw/zinc/93/05/62/573930562.db2.gz MDWHCOHSBWSQTQ-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+](C)C1CCCCC1 123088686 573930567 /nfs/dbraw/zinc/93/05/67/573930567.db2.gz MDWHCOHSBWSQTQ-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1C[NH2+]C[C@@H]1C 123120678 573932125 /nfs/dbraw/zinc/93/21/25/573932125.db2.gz ZWYQFPBBCIYKMR-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1C[NH2+]C[C@@H]1C 123120678 573932130 /nfs/dbraw/zinc/93/21/30/573932130.db2.gz ZWYQFPBBCIYKMR-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP Cc1cc(C)c([C@](C)([NH3+])C[NH3+])cc1C 259015361 573932216 /nfs/dbraw/zinc/93/22/16/573932216.db2.gz IBESFYKFOJIKTC-GFCCVEGCSA-N 2 2 192.306 1.744 10 0 ADAELP Cc1nc2ccc([C@H]([NH3+])C[NH3+])cc2o1 259013617 573932300 /nfs/dbraw/zinc/93/23/00/573932300.db2.gz HWZZFSRJSCUWKF-MRVPVSSYSA-N 2 2 191.234 1.095 10 0 ADAELP C[C@H]([N@H+](C)[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C 123128072 573932305 /nfs/dbraw/zinc/93/23/05/573932305.db2.gz JCZWBUUZSVEBHY-OUAUKWLOSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]([N@@H+](C)[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C 123128072 573932307 /nfs/dbraw/zinc/93/23/07/573932307.db2.gz JCZWBUUZSVEBHY-OUAUKWLOSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H]1C[NH2+]C[C@@H]1C 123111358 573932358 /nfs/dbraw/zinc/93/23/58/573932358.db2.gz DSVFJGMSIJYIEY-GARJFASQSA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H]1C[NH2+]C[C@@H]1C 123111358 573932364 /nfs/dbraw/zinc/93/23/64/573932364.db2.gz DSVFJGMSIJYIEY-GARJFASQSA-N 2 2 184.327 1.571 10 0 ADAELP CCCC1(CC)C[NH2+]C[NH2+]C1 238196848 573932474 /nfs/dbraw/zinc/93/24/74/573932474.db2.gz ZHDUFUIXLCDCSB-UHFFFAOYSA-N 2 2 156.273 1.333 10 0 ADAELP CCc1[nH+]c(C)cn1[C@H](C)[C@H](C)[NH2+]C 715071807 573932563 /nfs/dbraw/zinc/93/25/63/573932563.db2.gz IUFLEIFYUUDDCG-VHSXEESVSA-N 2 2 195.310 1.923 10 0 ADAELP CCCc1c[nH+]c(C[C@H]2CC[NH2+]C2)[nH]1 259016979 573933177 /nfs/dbraw/zinc/93/31/77/573933177.db2.gz DTLYTMPCFMQIQJ-SECBINFHSA-N 2 2 193.294 1.514 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[NH2+]C[C@@H](C)C1 81111228 573933276 /nfs/dbraw/zinc/93/32/76/573933276.db2.gz PTZGAXUZKLDZNY-VXGBXAGGSA-N 2 2 198.354 1.820 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CC[NH2+]C[C@@H](C)C1 81111228 573933284 /nfs/dbraw/zinc/93/32/84/573933284.db2.gz PTZGAXUZKLDZNY-VXGBXAGGSA-N 2 2 198.354 1.820 10 0 ADAELP CC[C@@H]1CCC[N@@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 123111563 573933466 /nfs/dbraw/zinc/93/34/66/573933466.db2.gz JHEXBMFEKBVXFC-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1CCC[N@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 123111563 573933472 /nfs/dbraw/zinc/93/34/72/573933472.db2.gz JHEXBMFEKBVXFC-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+]CCC[NH2+]c1ccc(O)cc1 84952078 573933623 /nfs/dbraw/zinc/93/36/23/573933623.db2.gz PJDBYVDUDADWAG-UHFFFAOYSA-N 2 2 166.224 1.153 10 0 ADAELP CC(C)[C@@H](C)C[N@@H+]1CCC[C@H]([NH3+])C1 81152323 573936521 /nfs/dbraw/zinc/93/65/21/573936521.db2.gz ACCZGONWTKTTQP-QWRGUYRKSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@@H](C)C[N@H+]1CCC[C@H]([NH3+])C1 81152323 573936526 /nfs/dbraw/zinc/93/65/26/573936526.db2.gz ACCZGONWTKTTQP-QWRGUYRKSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[NH2+]C[C@H](C)C1 81111231 573936666 /nfs/dbraw/zinc/93/66/66/573936666.db2.gz PTZGAXUZKLDZNY-NWDGAFQWSA-N 2 2 198.354 1.820 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CC[NH2+]C[C@H](C)C1 81111231 573936668 /nfs/dbraw/zinc/93/66/68/573936668.db2.gz PTZGAXUZKLDZNY-NWDGAFQWSA-N 2 2 198.354 1.820 10 0 ADAELP C[C@H]1C[C@@H](Nc2cccc[nH+]2)CC[NH2+]1 235667636 573936940 /nfs/dbraw/zinc/93/69/40/573936940.db2.gz YJBLPPJSDUPPIX-UWVGGRQHSA-N 2 2 191.278 1.634 10 0 ADAELP [NH3+]CC1C[NH+](Cc2cccc(F)c2)C1 84987995 573937005 /nfs/dbraw/zinc/93/70/05/573937005.db2.gz WWQPAVOTUVYDTD-UHFFFAOYSA-N 2 2 194.253 1.216 10 0 ADAELP NC(=[NH2+])Nc1cccc2cc[nH+]cc12 87521337 573937255 /nfs/dbraw/zinc/93/72/55/573937255.db2.gz KYBVWPJMXHSHIZ-UHFFFAOYSA-N 2 2 186.218 1.540 10 0 ADAELP [NH3+]CCCCc1cccc2[nH+]c[nH]c12 258184432 573938345 /nfs/dbraw/zinc/93/83/45/573938345.db2.gz WXJIKMAUIZOBFK-UHFFFAOYSA-N 2 2 189.262 1.844 10 0 ADAELP [NH3+]CCCCc1cccc2[nH]c[nH+]c12 258184432 573938349 /nfs/dbraw/zinc/93/83/49/573938349.db2.gz WXJIKMAUIZOBFK-UHFFFAOYSA-N 2 2 189.262 1.844 10 0 ADAELP CC[C@@H](OC)[C@@H]([NH3+])c1c[nH+]c(C)n1C 308468111 573938729 /nfs/dbraw/zinc/93/87/29/573938729.db2.gz IJQFVSCNYIZZTF-ZJUUUORDSA-N 2 2 197.282 1.153 10 0 ADAELP CC[C@@H](C)[C@H](C[N@H+](C)CC)[NH2+]C 87528057 573938769 /nfs/dbraw/zinc/93/87/69/573938769.db2.gz AFBIHHRNGHQNAE-ZJUUUORDSA-N 2 2 172.316 1.572 10 0 ADAELP CC[C@@H](C)[C@H](C[N@@H+](C)CC)[NH2+]C 87528057 573938770 /nfs/dbraw/zinc/93/87/70/573938770.db2.gz AFBIHHRNGHQNAE-ZJUUUORDSA-N 2 2 172.316 1.572 10 0 ADAELP C[C@@H](CC(F)F)C[N@@H+]1CC[C@@H]([NH3+])C1 688727473 573938854 /nfs/dbraw/zinc/93/88/54/573938854.db2.gz QPVFAKCLVVUHJW-JGVFFNPUSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@@H](CC(F)F)C[N@H+]1CC[C@@H]([NH3+])C1 688727473 573938858 /nfs/dbraw/zinc/93/88/58/573938858.db2.gz QPVFAKCLVVUHJW-JGVFFNPUSA-N 2 2 192.253 1.311 10 0 ADAELP [NH3+]CC[NH+]1CCC(c2cc[nH]c2)CC1 259244810 573939965 /nfs/dbraw/zinc/93/99/65/573939965.db2.gz NHUSDUHPFVEFBR-UHFFFAOYSA-N 2 2 193.294 1.153 10 0 ADAELP C[C@@H](CC(F)F)C[N@@H+]1CC[C@H]([NH3+])C1 688727482 573939985 /nfs/dbraw/zinc/93/99/85/573939985.db2.gz QPVFAKCLVVUHJW-YUMQZZPRSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])C1 688727482 573939990 /nfs/dbraw/zinc/93/99/90/573939990.db2.gz QPVFAKCLVVUHJW-YUMQZZPRSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@@H]1CC[N@H+](CC[NH2+]C2CC2)C1 42372055 573940003 /nfs/dbraw/zinc/94/00/03/573940003.db2.gz QQYJRAVRZPASGX-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC2)C1 42372055 573940009 /nfs/dbraw/zinc/94/00/09/573940009.db2.gz QQYJRAVRZPASGX-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP Cc1[nH]cc([C@@H]2CCC[N@@H+](C)C2)[nH+]1 259022232 573940190 /nfs/dbraw/zinc/94/01/90/573940190.db2.gz FKPKPMLHAPNEAD-SECBINFHSA-N 2 2 179.267 1.527 10 0 ADAELP Cc1[nH]cc([C@@H]2CCC[N@H+](C)C2)[nH+]1 259022232 573940195 /nfs/dbraw/zinc/94/01/95/573940195.db2.gz FKPKPMLHAPNEAD-SECBINFHSA-N 2 2 179.267 1.527 10 0 ADAELP Cc1[nH]cc([C@H]2CCC[N@@H+](C)C2)[nH+]1 259022236 573942009 /nfs/dbraw/zinc/94/20/09/573942009.db2.gz FKPKPMLHAPNEAD-VIFPVBQESA-N 2 2 179.267 1.527 10 0 ADAELP Cc1[nH]cc([C@H]2CCC[N@H+](C)C2)[nH+]1 259022236 573942012 /nfs/dbraw/zinc/94/20/12/573942012.db2.gz FKPKPMLHAPNEAD-VIFPVBQESA-N 2 2 179.267 1.527 10 0 ADAELP C[C@H]1CC[N@H+](CC[NH2+]C2CC2)C1 42372056 573942057 /nfs/dbraw/zinc/94/20/57/573942057.db2.gz QQYJRAVRZPASGX-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[N@@H+](CC[NH2+]C2CC2)C1 42372056 573942065 /nfs/dbraw/zinc/94/20/65/573942065.db2.gz QQYJRAVRZPASGX-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 42372046 573942404 /nfs/dbraw/zinc/94/24/04/573942404.db2.gz LALVMKILLWCYOM-SDDRHHMPSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 42372046 573942410 /nfs/dbraw/zinc/94/24/10/573942410.db2.gz LALVMKILLWCYOM-SDDRHHMPSA-N 2 2 196.338 1.988 10 0 ADAELP CC[NH2+]CCC[N@@H+](C)Cc1ccco1 42409549 573942846 /nfs/dbraw/zinc/94/28/46/573942846.db2.gz RPVCFPPTDQXGBR-UHFFFAOYSA-N 2 2 196.294 1.711 10 0 ADAELP CC(C)C[NH2+][C@@H](C)C[NH+]1CCCC1 42371931 573943379 /nfs/dbraw/zinc/94/33/79/573943379.db2.gz SPYWFYHVZRCCSA-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C[C@@H](C)O)[NH2+]Cc1c[nH+]c[nH]1 716863204 573945128 /nfs/dbraw/zinc/94/51/28/573945128.db2.gz MLLMIAZOQCQGEE-RKDXNWHRSA-N 2 2 197.282 1.049 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])C1(C)CC1 87550854 573944504 /nfs/dbraw/zinc/94/45/04/573944504.db2.gz PHHLIGGIDGVCRY-MRVPVSSYSA-N 2 2 179.267 1.090 10 0 ADAELP C[NH+](C)CC[NH2+]C1(C)CCCCC1 45045846 573944604 /nfs/dbraw/zinc/94/46/04/573944604.db2.gz MMQUNJBOAOXPKB-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CC(C)c1[nH+]ccn1CC[NH2+]C1CC1 42410211 573944785 /nfs/dbraw/zinc/94/47/85/573944785.db2.gz ADSIZJYRZBJCCX-UHFFFAOYSA-N 2 2 193.294 1.759 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])C1(C)CC1 87550857 573945364 /nfs/dbraw/zinc/94/53/64/573945364.db2.gz PHHLIGGIDGVCRY-QMMMGPOBSA-N 2 2 179.267 1.090 10 0 ADAELP C[NH2+]CC[N@@H+]1CCC[C@@H]1C1CCCC1 45073285 573945816 /nfs/dbraw/zinc/94/58/16/573945816.db2.gz AAAOZFGOMWWCHW-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]CC[N@H+]1CCC[C@@H]1C1CCCC1 45073285 573945821 /nfs/dbraw/zinc/94/58/21/573945821.db2.gz AAAOZFGOMWWCHW-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]CC[N@@H+]1CCC[C@H]1C1CCCC1 45073286 573945866 /nfs/dbraw/zinc/94/58/66/573945866.db2.gz AAAOZFGOMWWCHW-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]CC[N@H+]1CCC[C@H]1C1CCCC1 45073286 573945872 /nfs/dbraw/zinc/94/58/72/573945872.db2.gz AAAOZFGOMWWCHW-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 123168937 573947089 /nfs/dbraw/zinc/94/70/89/573947089.db2.gz CDUHVFFJIHBKIG-AXFHLTTASA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 123168937 573947094 /nfs/dbraw/zinc/94/70/94/573947094.db2.gz CDUHVFFJIHBKIG-AXFHLTTASA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 45118936 573951396 /nfs/dbraw/zinc/95/13/96/573951396.db2.gz OYIGPJKDMBUSGO-SNVBAGLBSA-N 2 2 193.294 1.661 10 0 ADAELP CC1(C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 45118933 573951466 /nfs/dbraw/zinc/95/14/66/573951466.db2.gz OYIGPJKDMBUSGO-JTQLQIEISA-N 2 2 193.294 1.661 10 0 ADAELP CCC[NH2+]CCCCn1cc[nH+]c1 45105559 573951496 /nfs/dbraw/zinc/95/14/96/573951496.db2.gz ROALJOJQCNWGSH-UHFFFAOYSA-N 2 2 181.283 1.663 10 0 ADAELP C[N@H+](CC[NH2+]CC1CC1)CC(C)(C)C 45089709 573953208 /nfs/dbraw/zinc/95/32/08/573953208.db2.gz LOCNAISWHQLLLX-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP C[N@@H+](CC[NH2+]CC1CC1)CC(C)(C)C 45089709 573953215 /nfs/dbraw/zinc/95/32/15/573953215.db2.gz LOCNAISWHQLLLX-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]CC2CCC2)C1 87584639 573953650 /nfs/dbraw/zinc/95/36/50/573953650.db2.gz YOQJYBPECKLSKU-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]CC2CCC2)C1 87584639 573953654 /nfs/dbraw/zinc/95/36/54/573953654.db2.gz YOQJYBPECKLSKU-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[C@@H](C[NH3+])[N@H+](C)Cc1ccoc1 42448173 573953842 /nfs/dbraw/zinc/95/38/42/573953842.db2.gz NGOTYIHZQMNLBG-LLVKDONJSA-N 2 2 196.294 1.695 10 0 ADAELP CC(C)[C@@H](C[NH3+])[N@@H+](C)Cc1ccoc1 42448173 573953846 /nfs/dbraw/zinc/95/38/46/573953846.db2.gz NGOTYIHZQMNLBG-LLVKDONJSA-N 2 2 196.294 1.695 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](CC)Cc1ccco1 42445480 573953860 /nfs/dbraw/zinc/95/38/60/573953860.db2.gz LWEKXHNIZCORPM-SNVBAGLBSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](CC)Cc1ccco1 42445480 573953865 /nfs/dbraw/zinc/95/38/65/573953865.db2.gz LWEKXHNIZCORPM-SNVBAGLBSA-N 2 2 196.294 1.839 10 0 ADAELP C[N@H+](Cc1ccoc1)[C@@H](C[NH3+])C1CC1 42447911 573953899 /nfs/dbraw/zinc/95/38/99/573953899.db2.gz OGUWSKXVPNWGOC-NSHDSACASA-N 2 2 194.278 1.449 10 0 ADAELP C[N@@H+](Cc1ccoc1)[C@@H](C[NH3+])C1CC1 42447911 573953902 /nfs/dbraw/zinc/95/39/02/573953902.db2.gz OGUWSKXVPNWGOC-NSHDSACASA-N 2 2 194.278 1.449 10 0 ADAELP C[N@H+](Cc1ccoc1)C(C)(C)C[NH3+] 42448035 573953942 /nfs/dbraw/zinc/95/39/42/573953942.db2.gz LBTRWVKJMHIOIY-UHFFFAOYSA-N 2 2 182.267 1.449 10 0 ADAELP C[N@@H+](Cc1ccoc1)C(C)(C)C[NH3+] 42448035 573953944 /nfs/dbraw/zinc/95/39/44/573953944.db2.gz LBTRWVKJMHIOIY-UHFFFAOYSA-N 2 2 182.267 1.449 10 0 ADAELP CC(C)[C@H](C[NH3+])[N@H+](C)Cc1ccoc1 42448175 573954061 /nfs/dbraw/zinc/95/40/61/573954061.db2.gz NGOTYIHZQMNLBG-NSHDSACASA-N 2 2 196.294 1.695 10 0 ADAELP C[NH2+]CCC[N@H+](C)Cc1ccoc1C 42449776 573955355 /nfs/dbraw/zinc/95/53/55/573955355.db2.gz DBTSJFJVBFGYFT-UHFFFAOYSA-N 2 2 196.294 1.629 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccc(F)cc1 259252109 573954576 /nfs/dbraw/zinc/95/45/76/573954576.db2.gz IEOPRHSHQOCMHM-SNVBAGLBSA-N 2 2 182.242 1.435 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccoc1C 42449312 573954598 /nfs/dbraw/zinc/95/45/98/573954598.db2.gz CWVISQDTUSGIRR-NSHDSACASA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccoc1C 42449312 573954604 /nfs/dbraw/zinc/95/46/04/573954604.db2.gz CWVISQDTUSGIRR-NSHDSACASA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](CC)Cc1ccco1 42446027 573954739 /nfs/dbraw/zinc/95/47/39/573954739.db2.gz DXVHKZLFWCNERX-JTQLQIEISA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](CC)Cc1ccco1 42446027 573954744 /nfs/dbraw/zinc/95/47/44/573954744.db2.gz DXVHKZLFWCNERX-JTQLQIEISA-N 2 2 196.294 1.839 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)CSC)C1 127693413 573954849 /nfs/dbraw/zinc/95/48/49/573954849.db2.gz YUWBYWAEKGBRLW-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@@H](C)CSC)C1 127693413 573954855 /nfs/dbraw/zinc/95/48/55/573954855.db2.gz YUWBYWAEKGBRLW-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@H](C)CSC)C1 127693633 573955087 /nfs/dbraw/zinc/95/50/87/573955087.db2.gz YUWBYWAEKGBRLW-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@H](C)CSC)C1 127693633 573955092 /nfs/dbraw/zinc/95/50/92/573955092.db2.gz YUWBYWAEKGBRLW-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP CCC[C@H]([NH3+])C[N@H+](CC)CCOC 42495962 573957942 /nfs/dbraw/zinc/95/79/42/573957942.db2.gz FXSQYTJHCKEOPP-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CCC[C@H]([NH3+])C[N@@H+](CC)CCOC 42495962 573957947 /nfs/dbraw/zinc/95/79/47/573957947.db2.gz FXSQYTJHCKEOPP-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP Cc1cccc2[nH+]c(C[C@H](C)[NH3+])cn12 76790204 573959518 /nfs/dbraw/zinc/95/95/18/573959518.db2.gz JZUUNQBMWJFEHL-QMMMGPOBSA-N 2 2 189.262 1.532 10 0 ADAELP CC1(C)C[C@H]1[NH2+]CC[NH2+]C1CC1 45137948 573958652 /nfs/dbraw/zinc/95/86/52/573958652.db2.gz TVFYUFINIYHRHG-SECBINFHSA-N 2 2 168.284 1.127 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CCC1)c1cccnc1 258191193 573958870 /nfs/dbraw/zinc/95/88/70/573958870.db2.gz PBCZMZOZERPYTA-LLVKDONJSA-N 2 2 191.278 1.224 10 0 ADAELP C[N@@H+]1CC[C@](C)([NH2+]CCC2CCC2)C1 716515790 573958876 /nfs/dbraw/zinc/95/88/76/573958876.db2.gz BBVXGXHLHGFPGJ-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CC[C@](C)([NH2+]CCC2CCC2)C1 716515790 573958883 /nfs/dbraw/zinc/95/88/83/573958883.db2.gz BBVXGXHLHGFPGJ-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP Nc1[nH+]c[nH]c1C[NH2+]C1CCCC1 257921243 573959069 /nfs/dbraw/zinc/95/90/69/573959069.db2.gz NRPFGOJXFIMMHT-UHFFFAOYSA-N 2 2 180.255 1.024 10 0 ADAELP CCCC[NH2+]CCc1[nH+]ccn1C 40638840 573959257 /nfs/dbraw/zinc/95/92/57/573959257.db2.gz ZMIJRTMMECTNME-UHFFFAOYSA-N 2 2 181.283 1.352 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+](C)CC1CCCC1 123212397 573962241 /nfs/dbraw/zinc/96/22/41/573962241.db2.gz YHQLHYGGCPKLAK-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+](C)CC1CCCC1 123212397 573962246 /nfs/dbraw/zinc/96/22/46/573962246.db2.gz YHQLHYGGCPKLAK-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCCC1(C)C 123209004 573962268 /nfs/dbraw/zinc/96/22/68/573962268.db2.gz YOBZHQFBQHGSHQ-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1CCCC1(C)C 123209004 573962274 /nfs/dbraw/zinc/96/22/74/573962274.db2.gz YOBZHQFBQHGSHQ-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)Cc1c[nH]c([C@H](C)C[NH3+])[nH+]1 259027962 573962465 /nfs/dbraw/zinc/96/24/65/573962465.db2.gz GAUITXMAAHIJSE-MRVPVSSYSA-N 2 2 181.283 1.670 10 0 ADAELP CC[C@H](C)C[NH2+]CCc1[nH+]ccn1C 40638934 573962475 /nfs/dbraw/zinc/96/24/75/573962475.db2.gz OYCMEUONTFOWOY-JTQLQIEISA-N 2 2 195.310 1.598 10 0 ADAELP CC(C)C[NH2+]CCc1[nH+]ccn1C 40638606 573962742 /nfs/dbraw/zinc/96/27/42/573962742.db2.gz SFBZQLQGJBGUPF-UHFFFAOYSA-N 2 2 181.283 1.208 10 0 ADAELP CC[C@@H](C)C[NH2+]CCc1[nH+]ccn1C 40638933 573962878 /nfs/dbraw/zinc/96/28/78/573962878.db2.gz OYCMEUONTFOWOY-SNVBAGLBSA-N 2 2 195.310 1.598 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@@H](C)CC1 123212670 573963148 /nfs/dbraw/zinc/96/31/48/573963148.db2.gz AUWQKRSWHWXCFL-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@@H](C)CC1 123212670 573963152 /nfs/dbraw/zinc/96/31/52/573963152.db2.gz AUWQKRSWHWXCFL-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[C@@H]([NH2+]C)C1(C)C 259588246 573967396 /nfs/dbraw/zinc/96/73/96/573967396.db2.gz ZTXMVNITDKBAAA-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[C@@H]([NH2+]C)C1(C)C 259588246 573967401 /nfs/dbraw/zinc/96/74/01/573967401.db2.gz ZTXMVNITDKBAAA-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@@H]1C[NH2+]C[C@@H]1C 123222331 573967566 /nfs/dbraw/zinc/96/75/66/573967566.db2.gz GZQQIMWASUIKAY-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@@H]1C[NH2+]C[C@@H]1C 123222331 573967571 /nfs/dbraw/zinc/96/75/71/573967571.db2.gz GZQQIMWASUIKAY-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[C@H]([NH3+])C[N@H+](C)[C@@H](C)COC 42519606 573967770 /nfs/dbraw/zinc/96/77/70/573967770.db2.gz FIWUHSYBIGBGBH-UWVGGRQHSA-N 2 2 188.315 1.081 10 0 ADAELP CCC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)COC 42519606 573967773 /nfs/dbraw/zinc/96/77/73/573967773.db2.gz FIWUHSYBIGBGBH-UWVGGRQHSA-N 2 2 188.315 1.081 10 0 ADAELP CCCC[N@H+](CC(N)=[NH2+])C1CC1 42503662 573967837 /nfs/dbraw/zinc/96/78/37/573967837.db2.gz UJRAIYAEUUANLD-UHFFFAOYSA-N 2 2 169.272 1.187 10 0 ADAELP CCCC[N@@H+](CC(N)=[NH2+])C1CC1 42503662 573967840 /nfs/dbraw/zinc/96/78/40/573967840.db2.gz UJRAIYAEUUANLD-UHFFFAOYSA-N 2 2 169.272 1.187 10 0 ADAELP CCC[C@@H]([NH3+])C[N@H+](C)[C@@H](C)COC 42519607 573968156 /nfs/dbraw/zinc/96/81/56/573968156.db2.gz FIWUHSYBIGBGBH-VHSXEESVSA-N 2 2 188.315 1.081 10 0 ADAELP CCC[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)COC 42519607 573968161 /nfs/dbraw/zinc/96/81/61/573968161.db2.gz FIWUHSYBIGBGBH-VHSXEESVSA-N 2 2 188.315 1.081 10 0 ADAELP CC(C)(C[NH3+])CCNc1cccc[nH+]1 259029225 573969540 /nfs/dbraw/zinc/96/95/40/573969540.db2.gz ZKRFCBFYVPLWGK-UHFFFAOYSA-N 2 2 193.294 1.869 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@H]1CCC[C@@H]1[NH3+] 42556720 573969804 /nfs/dbraw/zinc/96/98/04/573969804.db2.gz MVEUFVOESFTXTF-RYUDHWBXSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@H]1CCC[C@@H]1[NH3+] 42556720 573969808 /nfs/dbraw/zinc/96/98/08/573969808.db2.gz MVEUFVOESFTXTF-RYUDHWBXSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@@H]1CCC[C@@H]1[NH3+] 42556717 573969829 /nfs/dbraw/zinc/96/98/29/573969829.db2.gz MVEUFVOESFTXTF-NWDGAFQWSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1[NH3+] 42556717 573969832 /nfs/dbraw/zinc/96/98/32/573969832.db2.gz MVEUFVOESFTXTF-NWDGAFQWSA-N 2 2 196.338 1.987 10 0 ADAELP CCCCC[NH2+][C@H]1CC[N@H+](C)C1 42545208 573972150 /nfs/dbraw/zinc/97/21/50/573972150.db2.gz QDMGHVSRSFXPMJ-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCCCC[NH2+][C@H]1CC[N@@H+](C)C1 42545208 573972154 /nfs/dbraw/zinc/97/21/54/573972154.db2.gz QDMGHVSRSFXPMJ-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[C@@H](C[NH3+])c1[nH]cc[nH+]1 87602232 573972312 /nfs/dbraw/zinc/97/23/12/573972312.db2.gz JEDFOXNWODDKAY-ZETCQYMHSA-N 2 2 153.229 1.252 10 0 ADAELP CSCCC[NH2+][C@@H]1CC[N@H+](C)C1 42545058 573972349 /nfs/dbraw/zinc/97/23/49/573972349.db2.gz XIZGCBPUDBVNLR-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CSCCC[NH2+][C@@H]1CC[N@@H+](C)C1 42545058 573972352 /nfs/dbraw/zinc/97/23/52/573972352.db2.gz XIZGCBPUDBVNLR-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CCCCCC[NH2+][C@H]1CC[N@H+](C)C1 42545292 573972555 /nfs/dbraw/zinc/97/25/55/573972555.db2.gz CJWKFLFRIVLCLV-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCCCCC[NH2+][C@H]1CC[N@@H+](C)C1 42545292 573972561 /nfs/dbraw/zinc/97/25/61/573972561.db2.gz CJWKFLFRIVLCLV-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP Cc1ccc(NC[C@H]2CCC[NH2+]2)c[nH+]1 235860993 573975203 /nfs/dbraw/zinc/97/52/03/573975203.db2.gz JKJYAMPJRUIQBW-SNVBAGLBSA-N 2 2 191.278 1.554 10 0 ADAELP CCCCCC[NH2+][C@@H]1CC[N@H+](C)C1 42545290 573975226 /nfs/dbraw/zinc/97/52/26/573975226.db2.gz CJWKFLFRIVLCLV-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCCCCC[NH2+][C@@H]1CC[N@@H+](C)C1 42545290 573975230 /nfs/dbraw/zinc/97/52/30/573975230.db2.gz CJWKFLFRIVLCLV-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] 259256913 573977946 /nfs/dbraw/zinc/97/79/46/573977946.db2.gz GQHVNAFNEADPDE-KOLCDFICSA-N 2 2 178.279 1.603 10 0 ADAELP Cc1[nH]c(CC2CC[NH2+]CC2)c[nH+]1 104401967 573977997 /nfs/dbraw/zinc/97/79/97/573977997.db2.gz NRGSPXVROUMGAR-UHFFFAOYSA-N 2 2 179.267 1.260 10 0 ADAELP CCc1c[nH]c(C2(C[NH2+]C)CC2)[nH+]1 259030226 573978088 /nfs/dbraw/zinc/97/80/88/573978088.db2.gz GKOLTSYWVHQPDE-UHFFFAOYSA-N 2 2 179.267 1.223 10 0 ADAELP CCC[C@@H]1[NH2+]CC[C@H]2CCCC[N@@H+]21 238221299 573978447 /nfs/dbraw/zinc/97/84/47/573978447.db2.gz BOKZSODTQNDROT-GHMZBOCLSA-N 2 2 182.311 1.960 10 0 ADAELP CCC[C@@H]1[NH2+]CC[C@H]2CCCC[N@H+]21 238221299 573978452 /nfs/dbraw/zinc/97/84/52/573978452.db2.gz BOKZSODTQNDROT-GHMZBOCLSA-N 2 2 182.311 1.960 10 0 ADAELP CCC[C@@H]1[NH2+]CC[C@@H]2CCCC[N@@H+]21 238221277 573978597 /nfs/dbraw/zinc/97/85/97/573978597.db2.gz BOKZSODTQNDROT-WDEREUQCSA-N 2 2 182.311 1.960 10 0 ADAELP CCC[C@@H]1[NH2+]CC[C@@H]2CCCC[N@H+]21 238221277 573978602 /nfs/dbraw/zinc/97/86/02/573978602.db2.gz BOKZSODTQNDROT-WDEREUQCSA-N 2 2 182.311 1.960 10 0 ADAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[NH3+] 259256915 573979639 /nfs/dbraw/zinc/97/96/39/573979639.db2.gz GQHVNAFNEADPDE-ONGXEEELSA-N 2 2 178.279 1.603 10 0 ADAELP Cn1c[nH+]cc1/C=C1\C[C@@H]([NH3+])C1(C)C 405214403 573979723 /nfs/dbraw/zinc/97/97/23/573979723.db2.gz JLOBXHDDOMCLFO-VMKBVTSJSA-N 2 2 191.278 1.561 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] 259256914 573980044 /nfs/dbraw/zinc/98/00/44/573980044.db2.gz GQHVNAFNEADPDE-MWLCHTKSSA-N 2 2 178.279 1.603 10 0 ADAELP C[NH+]1CCC2(CC1)[NH2+]CCCS2 87603618 573980233 /nfs/dbraw/zinc/98/02/33/573980233.db2.gz ZBWHACFXJNERNV-UHFFFAOYSA-N 2 2 186.324 1.135 10 0 ADAELP CC(C)[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH3+] 42582053 573983540 /nfs/dbraw/zinc/98/35/40/573983540.db2.gz ZHDXVUXVGNRTCL-NWDGAFQWSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH3+] 42582053 573983545 /nfs/dbraw/zinc/98/35/45/573983545.db2.gz ZHDXVUXVGNRTCL-NWDGAFQWSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1C[NH2+]C2(CC[NH2+]CC2)SC1 87604699 573983706 /nfs/dbraw/zinc/98/37/06/573983706.db2.gz ROGZRMFDBZZZIV-MRVPVSSYSA-N 2 2 186.324 1.039 10 0 ADAELP CC1(C)CS[C@]2(CCC[NH2+]C2)[NH2+]1 87606064 573986163 /nfs/dbraw/zinc/98/61/63/573986163.db2.gz KDVQXAKSEKZCDD-VIFPVBQESA-N 2 2 186.324 1.181 10 0 ADAELP CC[C@H]1CS[C@]2(CCC[NH2+]C2)[NH2+]1 87605744 573986397 /nfs/dbraw/zinc/98/63/97/573986397.db2.gz GAIHZGSHBBEGJB-IUCAKERBSA-N 2 2 186.324 1.181 10 0 ADAELP CC1(C)CS[C@@]2(CCC[NH2+]C2)[NH2+]1 87606065 573987214 /nfs/dbraw/zinc/98/72/14/573987214.db2.gz KDVQXAKSEKZCDD-SECBINFHSA-N 2 2 186.324 1.181 10 0 ADAELP CC[C@H]1CS[C@@]2(CCC[NH2+]C2)[NH2+]1 87605746 573987334 /nfs/dbraw/zinc/98/73/34/573987334.db2.gz GAIHZGSHBBEGJB-DTWKUNHWSA-N 2 2 186.324 1.181 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])c(C)n1C(C)C 104457171 573987375 /nfs/dbraw/zinc/98/73/75/573987375.db2.gz NEXMLNQUBCMAJJ-NSHDSACASA-N 2 2 195.310 1.644 10 0 ADAELP CC[C@@H]1CS[C@@]2(CCC[NH2+]C2)[NH2+]1 87605745 573987642 /nfs/dbraw/zinc/98/76/42/573987642.db2.gz GAIHZGSHBBEGJB-RKDXNWHRSA-N 2 2 186.324 1.181 10 0 ADAELP CC(C)(C)n1ccc([C@H]([NH3+])C[NH3+])c1 104457175 573989017 /nfs/dbraw/zinc/98/90/17/573989017.db2.gz OPAYRONFWMFXAE-SECBINFHSA-N 2 2 181.283 1.202 10 0 ADAELP CC[C@@H]1CS[C@]2(CCC[NH2+]C2)[NH2+]1 87605743 573989496 /nfs/dbraw/zinc/98/94/96/573989496.db2.gz GAIHZGSHBBEGJB-BDAKNGLRSA-N 2 2 186.324 1.181 10 0 ADAELP C[C@H]([NH3+])CCCCn1cc[nH+]c1 45603845 573990318 /nfs/dbraw/zinc/99/03/18/573990318.db2.gz ODVAVHHGRXIWNL-VIFPVBQESA-N 2 2 167.256 1.401 10 0 ADAELP Cn1c[nH+]c2cccc(/C=C/C[NH3+])c21 258196458 573990444 /nfs/dbraw/zinc/99/04/44/573990444.db2.gz XXCIXSMVGYONAC-HWKANZROSA-N 2 2 187.246 1.545 10 0 ADAELP CCC[C@H]1[NH2+][C@H](C)CC(C)(C)[NH2+]1 238233844 573990623 /nfs/dbraw/zinc/99/06/23/573990623.db2.gz VQSSGVUUEITKJL-BDAKNGLRSA-N 2 2 170.300 1.863 10 0 ADAELP [NH3+]Cc1cc(-c2[nH]cc[nH+]2)ccc1F 104464000 573993223 /nfs/dbraw/zinc/99/32/23/573993223.db2.gz GOVFPHUWSQEAMJ-UHFFFAOYSA-N 2 2 191.209 1.675 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45649908 573993228 /nfs/dbraw/zinc/99/32/28/573993228.db2.gz UAWHRGXSVQLKAS-WDEREUQCSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45649906 573992568 /nfs/dbraw/zinc/99/25/68/573992568.db2.gz UAWHRGXSVQLKAS-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45649906 573992576 /nfs/dbraw/zinc/99/25/76/573992576.db2.gz UAWHRGXSVQLKAS-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45649908 573993231 /nfs/dbraw/zinc/99/32/31/573993231.db2.gz UAWHRGXSVQLKAS-WDEREUQCSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]CC2CC2)C1 45649932 573992791 /nfs/dbraw/zinc/99/27/91/573992791.db2.gz HFPJGJWGFALJQG-LLVKDONJSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+]CC2CC2)C1 45649932 573992798 /nfs/dbraw/zinc/99/27/98/573992798.db2.gz HFPJGJWGFALJQG-LLVKDONJSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 45651323 573992861 /nfs/dbraw/zinc/99/28/61/573992861.db2.gz DPPBNMLWNXNUMT-CMPLNLGQSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 45651323 573992867 /nfs/dbraw/zinc/99/28/67/573992867.db2.gz DPPBNMLWNXNUMT-CMPLNLGQSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)n1cccc1[C@H]([NH3+])C[NH3+] 104462429 573992970 /nfs/dbraw/zinc/99/29/70/573992970.db2.gz RUPCBBVYMUQXCG-MRVPVSSYSA-N 2 2 167.256 1.028 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45649910 573992998 /nfs/dbraw/zinc/99/29/98/573992998.db2.gz UAWHRGXSVQLKAS-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 45649910 573993001 /nfs/dbraw/zinc/99/30/01/573993001.db2.gz UAWHRGXSVQLKAS-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)C[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45649916 573993923 /nfs/dbraw/zinc/99/39/23/573993923.db2.gz GWPSKPFQOFAUKM-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[NH2+][C@H]1CC[N@H+](C(C)C)C1 45649916 573993927 /nfs/dbraw/zinc/99/39/27/573993927.db2.gz GWPSKPFQOFAUKM-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45649914 573993987 /nfs/dbraw/zinc/99/39/87/573993987.db2.gz GWPSKPFQOFAUKM-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45649914 573993990 /nfs/dbraw/zinc/99/39/90/573993990.db2.gz GWPSKPFQOFAUKM-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP CCn1c(C)cc([C@H]([NH3+])C[NH3+])c1C 104462710 573993591 /nfs/dbraw/zinc/99/35/91/573993591.db2.gz SJXFPVMWHUMWPR-SNVBAGLBSA-N 2 2 181.283 1.083 10 0 ADAELP C[C@H]([NH2+]CC[N@H+](C)C1CCC1)C1CC1 127935730 573993822 /nfs/dbraw/zinc/99/38/22/573993822.db2.gz XSPFAZFTHBFVAC-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+]CC[N@@H+](C)C1CCC1)C1CC1 127935730 573993827 /nfs/dbraw/zinc/99/38/27/573993827.db2.gz XSPFAZFTHBFVAC-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+]C1CC([NH3+])C1)c1nccs1 87652011 573993909 /nfs/dbraw/zinc/99/39/09/573993909.db2.gz WHUYAVPGMCXVCW-JECWYVHBSA-N 2 2 197.307 1.283 10 0 ADAELP CCCC[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45650144 573995222 /nfs/dbraw/zinc/99/52/22/573995222.db2.gz PHVNSGOMEIOFMS-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45650144 573995226 /nfs/dbraw/zinc/99/52/26/573995226.db2.gz PHVNSGOMEIOFMS-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP Cc1ccc(NC2CC([NH3+])C2)c(C)[nH+]1 87652159 573995232 /nfs/dbraw/zinc/99/52/32/573995232.db2.gz MVNUPBGQCQCCTN-UHFFFAOYSA-N 2 2 191.278 1.600 10 0 ADAELP Cc1cc[nH+]cc1NC1CC([NH3+])C1 87651943 573995150 /nfs/dbraw/zinc/99/51/50/573995150.db2.gz UKWBCHMXBQIVPX-UHFFFAOYSA-N 2 2 177.251 1.292 10 0 ADAELP C[NH2+][C@@H](c1ccc[nH]1)[C@H]1CCC[NH2+]1 259591264 573997915 /nfs/dbraw/zinc/99/79/15/573997915.db2.gz XSNFPRVPUXJWRQ-ZJUUUORDSA-N 2 2 179.267 1.027 10 0 ADAELP CCCC[NH2+]CC[N@H+](C)C1CCC1 127933315 573998059 /nfs/dbraw/zinc/99/80/59/573998059.db2.gz LJYWCXYLWAGKFS-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[NH2+]CC[N@@H+](C)C1CCC1 127933315 573998063 /nfs/dbraw/zinc/99/80/63/573998063.db2.gz LJYWCXYLWAGKFS-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[C@H]([NH3+])C1(C)C 259266426 574000514 /nfs/dbraw/zinc/00/05/14/574000514.db2.gz FXUAJELELBXZOT-VIFPVBQESA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)(C)[N@H+]1CCC[C@H]([NH3+])C1(C)C 259266426 574000517 /nfs/dbraw/zinc/00/05/17/574000517.db2.gz FXUAJELELBXZOT-VIFPVBQESA-N 2 2 184.327 1.987 10 0 ADAELP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)o1 87653211 574000668 /nfs/dbraw/zinc/00/06/68/574000668.db2.gz UIARWDWOIFEVSN-UHFFFAOYSA-N 2 2 194.278 1.510 10 0 ADAELP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)o1 87653211 574000673 /nfs/dbraw/zinc/00/06/73/574000673.db2.gz UIARWDWOIFEVSN-UHFFFAOYSA-N 2 2 194.278 1.510 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[C@H]2CCC[NH2+]2)o1 259262943 574000718 /nfs/dbraw/zinc/00/07/18/574000718.db2.gz IORBDASWTPFECD-ZJUUUORDSA-N 2 2 194.278 1.730 10 0 ADAELP CC[C@H]1[NH2+]CC[C@@H]1c1c[nH+]cn1C 85182294 574000761 /nfs/dbraw/zinc/00/07/61/574000761.db2.gz JXNBKWNCQNTSQW-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP CC[NH2+]C[C@H]([NH2+]C)c1sccc1C 259270648 574002990 /nfs/dbraw/zinc/00/29/90/574002990.db2.gz HZIDNSJOEVQOIS-VIFPVBQESA-N 2 2 198.335 1.927 10 0 ADAELP CC[C@@H]1[NH2+][C@@H](C)C[C@@H]1c1c[nH+]cn1C 85169326 574003817 /nfs/dbraw/zinc/00/38/17/574003817.db2.gz QYZVONSQJDFDRW-GUBZILKMSA-N 2 2 193.294 1.664 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H](O)C(C)(C)[NH3+] 85187921 574004730 /nfs/dbraw/zinc/00/47/30/574004730.db2.gz ABLIIBPCZJPWJJ-VIFPVBQESA-N 2 2 197.282 1.235 10 0 ADAELP CCn1c[nH+]cc1[C@H]1C[NH2+][C@H](C)C1 85184385 574004808 /nfs/dbraw/zinc/00/48/08/574004808.db2.gz VZAUNUWMFPVOCB-RKDXNWHRSA-N 2 2 179.267 1.368 10 0 ADAELP CC(C)n1c[nH+]cc1/C=C/C[NH3+] 85189322 574004822 /nfs/dbraw/zinc/00/48/22/574004822.db2.gz IIRUTBYZDSRLFR-ONEGZZNKSA-N 2 2 165.240 1.436 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H]1C[NH2+][C@H](C)C1 85188462 574004883 /nfs/dbraw/zinc/00/48/83/574004883.db2.gz AYNJJJYQIYPKMQ-ZJUUUORDSA-N 2 2 193.294 1.929 10 0 ADAELP CCCn1c[nH+]cc1[C@@H]1C[NH2+][C@H](C)C1 85186566 574004930 /nfs/dbraw/zinc/00/49/30/574004930.db2.gz RUBASMHASVBRHB-ZJUUUORDSA-N 2 2 193.294 1.759 10 0 ADAELP CC[C@H]1[NH2+]CC[C@@H]1c1c[nH+]cn1CC 85185389 574005190 /nfs/dbraw/zinc/00/51/90/574005190.db2.gz UKORWEBAQYWLRS-VHSXEESVSA-N 2 2 193.294 1.759 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])cc(Cl)n1 104486539 574005235 /nfs/dbraw/zinc/00/52/35/574005235.db2.gz SJRBEMIPFYQXSH-ZETCQYMHSA-N 2 2 185.658 1.002 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[C@@H]([NH3+])CCO1 85185576 574005265 /nfs/dbraw/zinc/00/52/65/574005265.db2.gz SIQJIKYIDWKNSJ-WPRPVWTQSA-N 2 2 195.266 1.082 10 0 ADAELP Cc1csc([C@@H]([NH3+])C[NH3+])c1Cl 104485518 574006943 /nfs/dbraw/zinc/00/69/43/574006943.db2.gz OIRKKNPJYHEFJD-YFKPBYRVSA-N 2 2 190.699 1.668 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[C@H]([NH3+])CCO1 85185574 574006946 /nfs/dbraw/zinc/00/69/46/574006946.db2.gz SIQJIKYIDWKNSJ-SCZZXKLOSA-N 2 2 195.266 1.082 10 0 ADAELP CCn1c[nH+]cc1[C@H]1C[C@@H]([NH3+])CCO1 85185580 574007008 /nfs/dbraw/zinc/00/70/08/574007008.db2.gz SIQJIKYIDWKNSJ-WCBMZHEXSA-N 2 2 195.266 1.082 10 0 ADAELP CCCn1c[nH+]cc1[C@H]1CC[NH2+][C@@H]1C 85187323 574007115 /nfs/dbraw/zinc/00/71/15/574007115.db2.gz KHZGOIUDIORZAP-ZJUUUORDSA-N 2 2 193.294 1.759 10 0 ADAELP CC[NH2+]C[C@@H]([NH2+]C)c1sccc1C 259270646 574007195 /nfs/dbraw/zinc/00/71/95/574007195.db2.gz HZIDNSJOEVQOIS-SECBINFHSA-N 2 2 198.335 1.927 10 0 ADAELP C[C@@H]1C[C@H](c2c[nH+]cn2C2CC2)C[NH2+]1 85190137 574007249 /nfs/dbraw/zinc/00/72/49/574007249.db2.gz BSTYJTOXMVLJFU-BDAKNGLRSA-N 2 2 191.278 1.683 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H]1CC[NH2+][C@@H]1C 85189198 574007257 /nfs/dbraw/zinc/00/72/57/574007257.db2.gz ODCRHKGUCNNFIX-ZJUUUORDSA-N 2 2 193.294 1.929 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1CC[NH2+][C@H]1C 85185384 574007307 /nfs/dbraw/zinc/00/73/07/574007307.db2.gz GTRFFOUSRAIXMV-DTWKUNHWSA-N 2 2 179.267 1.368 10 0 ADAELP CCCn1c[nH+]cc1[C@@H]1CC[NH2+][C@H]1C 85187324 574007325 /nfs/dbraw/zinc/00/73/25/574007325.db2.gz KHZGOIUDIORZAP-VHSXEESVSA-N 2 2 193.294 1.759 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H]1C[NH2+][C@@H](C)C1 85188464 574007350 /nfs/dbraw/zinc/00/73/50/574007350.db2.gz AYNJJJYQIYPKMQ-UWVGGRQHSA-N 2 2 193.294 1.929 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1c1c[nH+]cn1CC 85185391 574006778 /nfs/dbraw/zinc/00/67/78/574006778.db2.gz UKORWEBAQYWLRS-UWVGGRQHSA-N 2 2 193.294 1.759 10 0 ADAELP CCC1[NH2+]C(C)(C)CC(C)(C)[NH2+]1 238247539 574009287 /nfs/dbraw/zinc/00/92/87/574009287.db2.gz HBBYTKUPVNOALL-UHFFFAOYSA-N 2 2 170.300 1.863 10 0 ADAELP CCc1cc(Cl)ccc1[C@@H]([NH3+])C[NH3+] 104493830 574009369 /nfs/dbraw/zinc/00/93/69/574009369.db2.gz JFTAVDVVLHKFOV-JTQLQIEISA-N 2 2 198.697 1.861 10 0 ADAELP CCCn1c[nH+]cc1[C@H]1C[NH2+][C@@H](C)C1 85186561 574009400 /nfs/dbraw/zinc/00/94/00/574009400.db2.gz RUBASMHASVBRHB-VHSXEESVSA-N 2 2 193.294 1.759 10 0 ADAELP CCn1c[nH+]cc1[C@H]1CC[NH2+][C@@H]1C 85185382 574009488 /nfs/dbraw/zinc/00/94/88/574009488.db2.gz GTRFFOUSRAIXMV-BDAKNGLRSA-N 2 2 179.267 1.368 10 0 ADAELP CCc1ccc(Cl)cc1[C@@H]([NH3+])C[NH3+] 104492425 574009549 /nfs/dbraw/zinc/00/95/49/574009549.db2.gz VVDSKMKXNWHWBG-JTQLQIEISA-N 2 2 198.697 1.861 10 0 ADAELP CC[NH2+][C@]1(C[NH3+])CCc2ccccc21 238246834 574009932 /nfs/dbraw/zinc/00/99/32/574009932.db2.gz YVHDJLUPKVIIQU-LBPRGKRZSA-N 2 2 190.290 1.396 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1c1c[nH+]cn1C1CC1 85190990 574011487 /nfs/dbraw/zinc/01/14/87/574011487.db2.gz FGZSHKOKYCPAHK-SCZZXKLOSA-N 2 2 191.278 1.683 10 0 ADAELP C[C@H]1C[C@@H](c2c[nH+]cn2C2CC2)C[NH2+]1 85190143 574010864 /nfs/dbraw/zinc/01/08/64/574010864.db2.gz BSTYJTOXMVLJFU-DTWKUNHWSA-N 2 2 191.278 1.683 10 0 ADAELP CCc1c(Cl)cccc1[C@@H]([NH3+])C[NH3+] 104492431 574010879 /nfs/dbraw/zinc/01/08/79/574010879.db2.gz SLCQJQDFCXGUGV-JTQLQIEISA-N 2 2 198.697 1.861 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1cncc2ccccc12 104494343 574010895 /nfs/dbraw/zinc/01/08/95/574010895.db2.gz FBXZUTLUTRHNJM-LLVKDONJSA-N 2 2 187.246 1.193 10 0 ADAELP c1[nH+]cn(C2CC2)c1[C@H]1CC[NH2+]C1 85190985 574010940 /nfs/dbraw/zinc/01/09/40/574010940.db2.gz DFFXUEOZZUVVTQ-QMMMGPOBSA-N 2 2 177.251 1.295 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CC1CCCCC1 85196873 574011103 /nfs/dbraw/zinc/01/11/03/574011103.db2.gz NBZOFGMXZHIMFH-UHFFFAOYSA-N 2 2 193.294 1.922 10 0 ADAELP [NH3+]C/C=C/c1c[nH+]cn1C1CC1 85191110 574011460 /nfs/dbraw/zinc/01/14/60/574011460.db2.gz PPPVGHVGDOWUIC-OWOJBTEDSA-N 2 2 163.224 1.190 10 0 ADAELP CCn1c[nH+]cc1Cn1cc[nH+]c1C 85192503 574012394 /nfs/dbraw/zinc/01/23/94/574012394.db2.gz QBHPFDMDLPIXTA-UHFFFAOYSA-N 2 2 190.250 1.456 10 0 ADAELP CC(C)(C)Cn1c[nH+]cc1C[NH3+] 85197390 574011784 /nfs/dbraw/zinc/01/17/84/574011784.db2.gz SWORMAIJOAGGHW-UHFFFAOYSA-N 2 2 167.256 1.388 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CC1CCCC1 85196861 574011876 /nfs/dbraw/zinc/01/18/76/574011876.db2.gz AXMQNLJZIYBFMO-UHFFFAOYSA-N 2 2 179.267 1.532 10 0 ADAELP CCc1cccc(Cl)c1[C@H]([NH3+])C[NH3+] 104495231 574011947 /nfs/dbraw/zinc/01/19/47/574011947.db2.gz RAMZKRCANOCABI-SECBINFHSA-N 2 2 198.697 1.861 10 0 ADAELP C[C@@H]1C[C@@H](c2c[nH+]cn2C2CC2)C[NH2+]1 85190142 574011962 /nfs/dbraw/zinc/01/19/62/574011962.db2.gz BSTYJTOXMVLJFU-RKDXNWHRSA-N 2 2 191.278 1.683 10 0 ADAELP CC(C)CCCn1c[nH+]cc1C[NH3+] 85198973 574012293 /nfs/dbraw/zinc/01/22/93/574012293.db2.gz BBFIJQAYTMSONM-UHFFFAOYSA-N 2 2 181.283 1.778 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CCC1CC1 85199897 574012986 /nfs/dbraw/zinc/01/29/86/574012986.db2.gz CINOXBXDSJBCLX-UHFFFAOYSA-N 2 2 165.240 1.142 10 0 ADAELP C[C@H]1C[C@H](c2c[nH+]cn2C2CC2)C[NH2+]1 85190139 574013016 /nfs/dbraw/zinc/01/30/16/574013016.db2.gz BSTYJTOXMVLJFU-IUCAKERBSA-N 2 2 191.278 1.683 10 0 ADAELP CCCCn1c[nH+]cc1C[NH3+] 85196063 574013427 /nfs/dbraw/zinc/01/34/27/574013427.db2.gz QVBZREJACTXJIT-UHFFFAOYSA-N 2 2 153.229 1.142 10 0 ADAELP CC1(Cn2c[nH+]cc2C[NH3+])CCCC1 85199240 574013447 /nfs/dbraw/zinc/01/34/47/574013447.db2.gz MBMQUZODSMBJDM-UHFFFAOYSA-N 2 2 193.294 1.922 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1nccc2ccccc12 104495717 574014337 /nfs/dbraw/zinc/01/43/37/574014337.db2.gz YNZYSXUSBVALHD-SNVBAGLBSA-N 2 2 187.246 1.193 10 0 ADAELP CCc1c(Cl)cccc1[C@H]([NH3+])C[NH3+] 104495226 574014711 /nfs/dbraw/zinc/01/47/11/574014711.db2.gz SLCQJQDFCXGUGV-SNVBAGLBSA-N 2 2 198.697 1.861 10 0 ADAELP CC[N@@H+]1CCC[C@]([NH3+])(C(F)F)CC1 87687939 574014813 /nfs/dbraw/zinc/01/48/13/574014813.db2.gz OWDVABIESQXVRB-SECBINFHSA-N 2 2 192.253 1.455 10 0 ADAELP CC[N@H+]1CCC[C@]([NH3+])(C(F)F)CC1 87687939 574014817 /nfs/dbraw/zinc/01/48/17/574014817.db2.gz OWDVABIESQXVRB-SECBINFHSA-N 2 2 192.253 1.455 10 0 ADAELP Cc1c(F)cc(F)cc1[C@H]([NH3+])C[NH3+] 104496812 574014981 /nfs/dbraw/zinc/01/49/81/574014981.db2.gz CSLNDOSYTAFGCQ-SECBINFHSA-N 2 2 186.205 1.232 10 0 ADAELP CCc1ccc(Cl)cc1[C@H]([NH3+])C[NH3+] 104495221 574015019 /nfs/dbraw/zinc/01/50/19/574015019.db2.gz VVDSKMKXNWHWBG-SNVBAGLBSA-N 2 2 198.697 1.861 10 0 ADAELP C[N@@H+]1CCC[C@@]([NH3+])(C(F)F)CC1 87688100 574016286 /nfs/dbraw/zinc/01/62/86/574016286.db2.gz JZTCFVYGNWOEOZ-QMMMGPOBSA-N 2 2 178.226 1.065 10 0 ADAELP C[N@H+]1CCC[C@@]([NH3+])(C(F)F)CC1 87688100 574016288 /nfs/dbraw/zinc/01/62/88/574016288.db2.gz JZTCFVYGNWOEOZ-QMMMGPOBSA-N 2 2 178.226 1.065 10 0 ADAELP C[NH2+][C@@H](C[NH2+]C1CC1)c1cc[nH]c1 259273217 574016423 /nfs/dbraw/zinc/01/64/23/574016423.db2.gz IBIREENJWYXKMP-JTQLQIEISA-N 2 2 179.267 1.027 10 0 ADAELP CC[N@@H+]1CCC[C@@]([NH3+])(C(F)F)CC1 87687940 574016447 /nfs/dbraw/zinc/01/64/47/574016447.db2.gz OWDVABIESQXVRB-VIFPVBQESA-N 2 2 192.253 1.455 10 0 ADAELP CC[N@H+]1CCC[C@@]([NH3+])(C(F)F)CC1 87687940 574016450 /nfs/dbraw/zinc/01/64/50/574016450.db2.gz OWDVABIESQXVRB-VIFPVBQESA-N 2 2 192.253 1.455 10 0 ADAELP C[NH2+][C@H](C[NH2+]C1CC1)c1cc[nH]c1 259273224 574016493 /nfs/dbraw/zinc/01/64/93/574016493.db2.gz IBIREENJWYXKMP-SNVBAGLBSA-N 2 2 179.267 1.027 10 0 ADAELP CC[NH+]1CCC([NH3+])(C(F)F)CC1 87687934 574016626 /nfs/dbraw/zinc/01/66/26/574016626.db2.gz ZOUHWIVLLYPLLJ-UHFFFAOYSA-N 2 2 178.226 1.065 10 0 ADAELP C[N@@H+]1CCC[C@]([NH3+])(C(F)F)CC1 87688099 574016725 /nfs/dbraw/zinc/01/67/25/574016725.db2.gz JZTCFVYGNWOEOZ-MRVPVSSYSA-N 2 2 178.226 1.065 10 0 ADAELP C[N@H+]1CCC[C@]([NH3+])(C(F)F)CC1 87688099 574016728 /nfs/dbraw/zinc/01/67/28/574016728.db2.gz JZTCFVYGNWOEOZ-MRVPVSSYSA-N 2 2 178.226 1.065 10 0 ADAELP Nc1cc[nH+]c([C@@H]2CCC[NH2+]2)c1 104507317 574018385 /nfs/dbraw/zinc/01/83/85/574018385.db2.gz UIMCKJVXKRHNAG-QMMMGPOBSA-N 2 2 163.224 1.088 10 0 ADAELP Cc1cnc(Cl)c([C@H]([NH3+])C[NH3+])c1 104505118 574019704 /nfs/dbraw/zinc/01/97/04/574019704.db2.gz DTSQPVMPTRJUTE-SSDOTTSWSA-N 2 2 185.658 1.002 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])cnc1Cl 104505110 574019763 /nfs/dbraw/zinc/01/97/63/574019763.db2.gz DIAATAMISGTBIG-SSDOTTSWSA-N 2 2 185.658 1.002 10 0 ADAELP Cc1cc(Cl)ncc1[C@H]([NH3+])C[NH3+] 104505135 574020043 /nfs/dbraw/zinc/02/00/43/574020043.db2.gz PPTSJLVIUXIHMZ-SSDOTTSWSA-N 2 2 185.658 1.002 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])cs1 104506787 574020121 /nfs/dbraw/zinc/02/01/21/574020121.db2.gz JVBVPZBJGPLUTH-SSDOTTSWSA-N 2 2 156.254 1.015 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])cnc1Cl 104505113 574020222 /nfs/dbraw/zinc/02/02/22/574020222.db2.gz DIAATAMISGTBIG-ZETCQYMHSA-N 2 2 185.658 1.002 10 0 ADAELP Cc1cnc(Cl)c([C@@H]([NH3+])C[NH3+])c1 104505122 574020313 /nfs/dbraw/zinc/02/03/13/574020313.db2.gz DTSQPVMPTRJUTE-ZETCQYMHSA-N 2 2 185.658 1.002 10 0 ADAELP Nc1cc[nH+]c([C@@H]2CCCC[NH2+]2)c1 104513563 574021519 /nfs/dbraw/zinc/02/15/19/574021519.db2.gz HCYTWPFUKBOCSJ-VIFPVBQESA-N 2 2 177.251 1.478 10 0 ADAELP C[NH2+][C@H]([NH3+])C1CCCCC1 259279736 574022225 /nfs/dbraw/zinc/02/22/25/574022225.db2.gz HJZHTBVEXYQMSU-QMMMGPOBSA-N 2 2 142.246 1.071 10 0 ADAELP C[NH2+][C@@H]([NH3+])C1CCCCC1 259279734 574022519 /nfs/dbraw/zinc/02/25/19/574022519.db2.gz HJZHTBVEXYQMSU-MRVPVSSYSA-N 2 2 142.246 1.071 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1c1[nH]cc[nH+]1 223759401 574022651 /nfs/dbraw/zinc/02/26/51/574022651.db2.gz VNGQJKGCYDAIMD-RQJHMYQMSA-N 2 2 151.213 1.005 10 0 ADAELP CCC[C@@H]([NH3+])c1cc(N)[nH+]c(N)c1 104512914 574022706 /nfs/dbraw/zinc/02/27/06/574022706.db2.gz ZLCQODODPZPHDU-SSDOTTSWSA-N 2 2 180.255 1.046 10 0 ADAELP CC[C@@H]([NH3+])c1cc(N)cc[nH+]1 104512890 574022877 /nfs/dbraw/zinc/02/28/77/574022877.db2.gz RTCNIXOJNGWCDN-SSDOTTSWSA-N 2 2 151.213 1.074 10 0 ADAELP CCCC[NH2+][C@@H](C[NH+](C)C)C(C)C 49196524 574025186 /nfs/dbraw/zinc/02/51/86/574025186.db2.gz VNGPKJLDNRGIDB-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CC(F)F 49235079 574025269 /nfs/dbraw/zinc/02/52/69/574025269.db2.gz HHMAFPTTWNFNIM-SSDOTTSWSA-N 2 2 189.209 1.126 10 0 ADAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CC1CC1 49197875 574025561 /nfs/dbraw/zinc/02/55/61/574025561.db2.gz REZHEACFVIYXRZ-LLVKDONJSA-N 2 2 184.327 1.572 10 0 ADAELP CC1(C)CC[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1 87772851 574027659 /nfs/dbraw/zinc/02/76/59/574027659.db2.gz NXFIIUARMBEASJ-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)C1 87772851 574027661 /nfs/dbraw/zinc/02/76/61/574027661.db2.gz NXFIIUARMBEASJ-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH+](C)CC[NH2+]CCc1ccsc1 49181501 574027716 /nfs/dbraw/zinc/02/77/16/574027716.db2.gz KPKNARFDWSDYAK-UHFFFAOYSA-N 2 2 198.335 1.442 10 0 ADAELP CC1(C)CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 87772844 574028151 /nfs/dbraw/zinc/02/81/51/574028151.db2.gz CROOCNGOTNYVBE-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[C@H]([N@H+]2CCC[NH2+]CC2)C1 87772844 574028153 /nfs/dbraw/zinc/02/81/53/574028153.db2.gz CROOCNGOTNYVBE-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1 87772850 574028181 /nfs/dbraw/zinc/02/81/81/574028181.db2.gz NXFIIUARMBEASJ-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[C@H]([N@H+]2CCC[C@H]([NH3+])C2)C1 87772850 574028183 /nfs/dbraw/zinc/02/81/83/574028183.db2.gz NXFIIUARMBEASJ-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 87772845 574028340 /nfs/dbraw/zinc/02/83/40/574028340.db2.gz CROOCNGOTNYVBE-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[C@@H]([N@H+]2CCC[NH2+]CC2)C1 87772845 574028342 /nfs/dbraw/zinc/02/83/42/574028342.db2.gz CROOCNGOTNYVBE-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP [NH3+]CC[N@H+](CCF)C1CCCC1 87774526 574029924 /nfs/dbraw/zinc/02/99/24/574029924.db2.gz NQHZXOGZDIYJFK-UHFFFAOYSA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+]CC[N@@H+](CCF)C1CCCC1 87774526 574029926 /nfs/dbraw/zinc/02/99/26/574029926.db2.gz NQHZXOGZDIYJFK-UHFFFAOYSA-N 2 2 174.263 1.159 10 0 ADAELP CCC(CC)C[C@@H](C[NH+](C)C)[NH2+]C 128175286 574032475 /nfs/dbraw/zinc/03/24/75/574032475.db2.gz VDIJMQGCEBULBZ-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP C[N@H+](CCF)C1C[C@@H]2CC[C@H](C1)[NH2+]2 87776568 574031739 /nfs/dbraw/zinc/03/17/39/574031739.db2.gz BTARHNSDQDQHLO-ULKQDVFKSA-N 2 2 186.274 1.171 10 0 ADAELP C[N@@H+](CCF)C1C[C@@H]2CC[C@H](C1)[NH2+]2 87776568 574031741 /nfs/dbraw/zinc/03/17/41/574031741.db2.gz BTARHNSDQDQHLO-ULKQDVFKSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1CCF 87776615 574031908 /nfs/dbraw/zinc/03/19/08/574031908.db2.gz BOWGZCXLLFFHJE-RKDXNWHRSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1CCF 87776615 574031909 /nfs/dbraw/zinc/03/19/09/574031909.db2.gz BOWGZCXLLFFHJE-RKDXNWHRSA-N 2 2 174.263 1.158 10 0 ADAELP C[NH2+][C@@H](c1ccc(F)c(C)c1)[C@H](C)[NH3+] 259287021 574032349 /nfs/dbraw/zinc/03/23/49/574032349.db2.gz HQQLWTPQYOHGIF-GZMMTYOYSA-N 2 2 196.269 1.742 10 0 ADAELP FCC[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 87778381 574032416 /nfs/dbraw/zinc/03/24/16/574032416.db2.gz JDKJQIRPGCWIDD-SNVBAGLBSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 87778381 574032419 /nfs/dbraw/zinc/03/24/19/574032419.db2.gz JDKJQIRPGCWIDD-SNVBAGLBSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@@H](C[NH3+])CSCc1[nH+]ccn1C 85336075 574038738 /nfs/dbraw/zinc/03/87/38/574038738.db2.gz XSAASKXHFTVWBQ-QMMMGPOBSA-N 2 2 199.323 1.248 10 0 ADAELP C[NH2+]CCc1c(C(C)C)[nH+]cn1C 258468193 574041524 /nfs/dbraw/zinc/04/15/24/574041524.db2.gz AFJHSOZTGWTTEU-UHFFFAOYSA-N 2 2 181.283 1.305 10 0 ADAELP [NH3+][C@@H](c1ccc(F)c(F)c1)C1([NH3+])CC1 259294724 574041787 /nfs/dbraw/zinc/04/17/87/574041787.db2.gz HWTVAIGJVNQPCU-VIFPVBQESA-N 2 2 198.216 1.456 10 0 ADAELP [NH3+][C@H](c1ccc(F)c(F)c1)C1([NH3+])CC1 259294719 574041869 /nfs/dbraw/zinc/04/18/69/574041869.db2.gz HWTVAIGJVNQPCU-SECBINFHSA-N 2 2 198.216 1.456 10 0 ADAELP Cc1nc(C[NH2+]CC[C@H](C)[NH3+])cs1 49539076 574042082 /nfs/dbraw/zinc/04/20/82/574042082.db2.gz RQSYQMRESIBGQO-ZETCQYMHSA-N 2 2 199.323 1.278 10 0 ADAELP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2F)CC1 1169231113 760941486 /nfs/dbraw/zinc/94/14/86/760941486.db2.gz PGVAOQRNNYIXOB-NXEZZACHSA-N 2 2 186.274 1.171 10 0 ADAELP C[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH2+][C@@H]1C[C@H]1F)C2 1169097905 760958767 /nfs/dbraw/zinc/95/87/67/760958767.db2.gz DYDOXLNOFNTOQV-RCZSTQMZSA-N 2 2 198.285 1.312 10 0 ADAELP C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH2+][C@@H]1C[C@H]1F)C2 1169097905 760958805 /nfs/dbraw/zinc/95/88/05/760958805.db2.gz DYDOXLNOFNTOQV-RCZSTQMZSA-N 2 2 198.285 1.312 10 0 ADAELP Cc1cc([NH2+]CC[C@@H](C)[NH3+])ccc1N 1170890565 761074982 /nfs/dbraw/zinc/07/49/82/761074982.db2.gz CMZJAFLVCSWUPL-SECBINFHSA-N 2 2 193.294 1.726 10 0 ADAELP CC[C@H](C)[N@H+](C)Cc1c[nH+]ccc1N 1209725975 762320333 /nfs/dbraw/zinc/32/03/33/762320333.db2.gz NPINOTSLZJFOFE-VIFPVBQESA-N 2 2 193.294 1.724 10 0 ADAELP CC[C@H](C)[N@@H+](C)Cc1c[nH+]ccc1N 1209725975 762320340 /nfs/dbraw/zinc/32/03/40/762320340.db2.gz NPINOTSLZJFOFE-VIFPVBQESA-N 2 2 193.294 1.724 10 0 ADAELP C[C@@H]1CC[N@@H+]1Cc1c[nH+]ccc1N 1209728122 762321189 /nfs/dbraw/zinc/32/11/89/762321189.db2.gz CWWJSMGYVMFQEM-MRVPVSSYSA-N 2 2 177.251 1.088 10 0 ADAELP C[C@@H]1CC[N@H+]1Cc1c[nH+]ccc1N 1209728122 762321195 /nfs/dbraw/zinc/32/11/95/762321195.db2.gz CWWJSMGYVMFQEM-MRVPVSSYSA-N 2 2 177.251 1.088 10 0 ADAELP CC[C@@H](C)[N@H+](C)Cc1c[nH+]ccc1N 1209725974 762321521 /nfs/dbraw/zinc/32/15/21/762321521.db2.gz NPINOTSLZJFOFE-SECBINFHSA-N 2 2 193.294 1.724 10 0 ADAELP CC[C@@H](C)[N@@H+](C)Cc1c[nH+]ccc1N 1209725974 762321524 /nfs/dbraw/zinc/32/15/24/762321524.db2.gz NPINOTSLZJFOFE-SECBINFHSA-N 2 2 193.294 1.724 10 0 ADAELP C[N@H+](Cc1c[nH+]ccc1N)C(C)(C)C 1209733858 762321697 /nfs/dbraw/zinc/32/16/97/762321697.db2.gz IHHMKOCVGAMJET-UHFFFAOYSA-N 2 2 193.294 1.724 10 0 ADAELP C[N@@H+](Cc1c[nH+]ccc1N)C(C)(C)C 1209733858 762321700 /nfs/dbraw/zinc/32/17/00/762321700.db2.gz IHHMKOCVGAMJET-UHFFFAOYSA-N 2 2 193.294 1.724 10 0 ADAELP CC[N@H+](Cc1c[nH+]ccc1N)C(C)C 1209728738 762322129 /nfs/dbraw/zinc/32/21/29/762322129.db2.gz UQCVOVVNUPPKIR-UHFFFAOYSA-N 2 2 193.294 1.724 10 0 ADAELP CC[N@@H+](Cc1c[nH+]ccc1N)C(C)C 1209728738 762322134 /nfs/dbraw/zinc/32/21/34/762322134.db2.gz UQCVOVVNUPPKIR-UHFFFAOYSA-N 2 2 193.294 1.724 10 0 ADAELP CC1(C)C[NH+](Cc2c[nH+]ccc2N)C1 1209727897 762322431 /nfs/dbraw/zinc/32/24/31/762322431.db2.gz OLTPYUGDFALABN-UHFFFAOYSA-N 2 2 191.278 1.336 10 0 ADAELP CCC[N@H+](CC)Cc1c[nH+]ccc1N 1209727856 762322894 /nfs/dbraw/zinc/32/28/94/762322894.db2.gz NUFJCLXFZUNNOS-UHFFFAOYSA-N 2 2 193.294 1.726 10 0 ADAELP CCC[N@@H+](CC)Cc1c[nH+]ccc1N 1209727856 762322902 /nfs/dbraw/zinc/32/29/02/762322902.db2.gz NUFJCLXFZUNNOS-UHFFFAOYSA-N 2 2 193.294 1.726 10 0 ADAELP C[N@H+](Cc1c[nH+]ccc1N)C1CC1 1209725838 762323420 /nfs/dbraw/zinc/32/34/20/762323420.db2.gz CJAJCKVOHMDBIH-UHFFFAOYSA-N 2 2 177.251 1.088 10 0 ADAELP C[N@@H+](Cc1c[nH+]ccc1N)C1CC1 1209725838 762323424 /nfs/dbraw/zinc/32/34/24/762323424.db2.gz CJAJCKVOHMDBIH-UHFFFAOYSA-N 2 2 177.251 1.088 10 0 ADAELP CC(C)C[N@H+](C)Cc1c[nH+]ccc1N 1209728320 762323472 /nfs/dbraw/zinc/32/34/72/762323472.db2.gz QLTIFLVYOXTECL-UHFFFAOYSA-N 2 2 193.294 1.582 10 0 ADAELP CC(C)C[N@@H+](C)Cc1c[nH+]ccc1N 1209728320 762323476 /nfs/dbraw/zinc/32/34/76/762323476.db2.gz QLTIFLVYOXTECL-UHFFFAOYSA-N 2 2 193.294 1.582 10 0 ADAELP C[C@H]1CC[N@@H+]1Cc1c[nH+]ccc1N 1209728124 762323522 /nfs/dbraw/zinc/32/35/22/762323522.db2.gz CWWJSMGYVMFQEM-QMMMGPOBSA-N 2 2 177.251 1.088 10 0 ADAELP C[C@H]1CC[N@H+]1Cc1c[nH+]ccc1N 1209728124 762323525 /nfs/dbraw/zinc/32/35/25/762323525.db2.gz CWWJSMGYVMFQEM-QMMMGPOBSA-N 2 2 177.251 1.088 10 0 ADAELP [NH3+]CC[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 1235226050 764593121 /nfs/dbraw/zinc/59/31/21/764593121.db2.gz XKWSVCSCVWSPHO-VHSXEESVSA-N 2 2 168.284 1.067 10 0 ADAELP [NH3+]CC[N@H+]1CC[C@H]2CCC[C@H]2C1 1235226051 764594358 /nfs/dbraw/zinc/59/43/58/764594358.db2.gz XKWSVCSCVWSPHO-ZJUUUORDSA-N 2 2 168.284 1.067 10 0 ADAELP [NH3+]CC[N@@H+]1CC[C@@H]2CCC[C@H]2C1 1235226049 764592808 /nfs/dbraw/zinc/59/28/08/764592808.db2.gz XKWSVCSCVWSPHO-UWVGGRQHSA-N 2 2 168.284 1.067 10 0 ADAELP [NH3+]CC[N@H+]1CC[C@@H]2CCC[C@H]2C1 1235226049 764592813 /nfs/dbraw/zinc/59/28/13/764592813.db2.gz XKWSVCSCVWSPHO-UWVGGRQHSA-N 2 2 168.284 1.067 10 0 ADAELP [NH3+]CC[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1235226050 764593124 /nfs/dbraw/zinc/59/31/24/764593124.db2.gz XKWSVCSCVWSPHO-VHSXEESVSA-N 2 2 168.284 1.067 10 0 ADAELP [NH3+]CC[N@@H+]1CC[C@H]2CCC[C@H]2C1 1235226051 764594355 /nfs/dbraw/zinc/59/43/55/764594355.db2.gz XKWSVCSCVWSPHO-ZJUUUORDSA-N 2 2 168.284 1.067 10 0 ADAELP [NH3+]CC[N@@H+]1CC[C@H]2CCC[C@@H]2C1 1235226048 764594728 /nfs/dbraw/zinc/59/47/28/764594728.db2.gz XKWSVCSCVWSPHO-NXEZZACHSA-N 2 2 168.284 1.067 10 0 ADAELP [NH3+]CC[N@H+]1CC[C@H]2CCC[C@@H]2C1 1235226048 764594735 /nfs/dbraw/zinc/59/47/35/764594735.db2.gz XKWSVCSCVWSPHO-NXEZZACHSA-N 2 2 168.284 1.067 10 0 ADAELP C[NH+](C)CCCCCc1c[nH]c[nH+]1 13685910 560220126 /nfs/dbraw/zinc/22/01/26/560220126.db2.gz MVHBNHUOEFGIBK-UHFFFAOYSA-N 2 2 181.283 1.684 10 0 in-vitro ADAELP C[NH+](C)CCCCCc1c[nH+]c[nH]1 13685910 560220128 /nfs/dbraw/zinc/22/01/28/560220128.db2.gz MVHBNHUOEFGIBK-UHFFFAOYSA-N 2 2 181.283 1.684 10 0 in-vitro ADAELP C[NH+](C)CCCNc1cccc[nH+]1 21038830 1169060580 /nfs/dbraw/zinc/06/05/80/1169060580.db2.gz ATZQBNIEZZBOAJ-UHFFFAOYSA-N 2 2 179.267 1.445 10 0 ADAELP CCC(CC)[NH2+]CCc1[nH+]ccn1C 40638699 1169089326 /nfs/dbraw/zinc/08/93/26/1169089326.db2.gz HFBWVYKDOXTNHD-UHFFFAOYSA-N 2 2 195.310 1.741 10 0 ADAELP C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 60313549 1169099796 /nfs/dbraw/zinc/09/97/96/1169099796.db2.gz MSGQWRDFNTVERT-UHFFFAOYSA-N 2 2 192.262 1.555 10 0 ADAELP CCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 82269916 1169110203 /nfs/dbraw/zinc/11/02/03/1169110203.db2.gz MCERTJNYLVPEKI-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP CCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 82269916 1169110205 /nfs/dbraw/zinc/11/02/05/1169110205.db2.gz MCERTJNYLVPEKI-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP CCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 82269916 1169110207 /nfs/dbraw/zinc/11/02/07/1169110207.db2.gz MCERTJNYLVPEKI-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP CCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 82269916 1169110209 /nfs/dbraw/zinc/11/02/09/1169110209.db2.gz MCERTJNYLVPEKI-LLVKDONJSA-N 2 2 182.311 1.567 10 0 ADAELP [NH3+][C@H]1CC[C@@H](c2ccsc2)[NH2+]C1 757214232 673917351 /nfs/dbraw/zinc/91/73/51/673917351.db2.gz LNMCNUDKFOZKHF-IUCAKERBSA-N 2 2 182.292 1.500 10 0 ADAELP Nc1cccc([C@@H]2[NH2+]CCC[C@H]2[NH3+])c1 757215360 673917513 /nfs/dbraw/zinc/91/75/13/673917513.db2.gz NECJYKPGZXOVAS-MNOVXSKESA-N 2 2 191.278 1.021 10 0 ADAELP Nc1cccc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])c1 757215365 673917526 /nfs/dbraw/zinc/91/75/26/673917526.db2.gz NECJYKPGZXOVAS-QWRGUYRKSA-N 2 2 191.278 1.021 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1ccsc1 757217390 673917452 /nfs/dbraw/zinc/91/74/52/673917452.db2.gz RSMMKOWCXNJSBY-RKDXNWHRSA-N 2 2 182.292 1.500 10 0 ADAELP Nc1cccc([C@H]2[NH2+]CCC[C@@H]2[NH3+])c1 757215369 673917573 /nfs/dbraw/zinc/91/75/73/673917573.db2.gz NECJYKPGZXOVAS-WDEREUQCSA-N 2 2 191.278 1.021 10 0 ADAELP [NH3+][C@H]1CC[C@H](c2ccsc2)[NH2+]C1 757214230 673917682 /nfs/dbraw/zinc/91/76/82/673917682.db2.gz LNMCNUDKFOZKHF-DTWKUNHWSA-N 2 2 182.292 1.500 10 0 ADAELP Nc1cccc([C@H]2[NH2+]CCC[C@H]2[NH3+])c1 757215357 673917690 /nfs/dbraw/zinc/91/76/90/673917690.db2.gz NECJYKPGZXOVAS-GHMZBOCLSA-N 2 2 191.278 1.021 10 0 ADAELP Cc1cc(C)[nH+]c(N2CC[C@@H]([NH3+])C2)c1 107177907 1169142955 /nfs/dbraw/zinc/14/29/55/1169142955.db2.gz NQGDLMKEUPTZOO-SNVBAGLBSA-N 2 2 191.278 1.236 10 0 ADAELP Cc1cc(C)[nH+]c(N2CC[C@H]([NH3+])C2)c1 107177905 1169143822 /nfs/dbraw/zinc/14/38/22/1169143822.db2.gz NQGDLMKEUPTZOO-JTQLQIEISA-N 2 2 191.278 1.236 10 0 ADAELP Cc1cc(C)[nH+]c(N(C)CC[NH3+])c1 107167884 1169144220 /nfs/dbraw/zinc/14/42/20/1169144220.db2.gz ZNHIKLWKKHULDF-UHFFFAOYSA-N 2 2 179.267 1.093 10 0 ADAELP [NH3+]CC[NH+]1CCC(F)(C2CC2)CC1 724804740 673937844 /nfs/dbraw/zinc/93/78/44/673937844.db2.gz RATPYWVBSCDINF-UHFFFAOYSA-N 2 2 186.274 1.159 10 0 ADAELP Cc1[nH+]cc(CCC[NH+](C)C)cc1N 118448235 1169161317 /nfs/dbraw/zinc/16/13/17/1169161317.db2.gz RIYUWBMAPMCYQN-UHFFFAOYSA-N 2 2 193.294 1.466 10 0 ADAELP CC1CC([NH2+]C[C@H]2CCCC[N@@H+]2C)C1 123335578 1169165497 /nfs/dbraw/zinc/16/54/97/1169165497.db2.gz XMUHYODHJHXJTB-HTAVTVPLSA-N 2 2 196.338 1.859 10 0 ADAELP CC1CC([NH2+]C[C@H]2CCCC[N@H+]2C)C1 123335578 1169165499 /nfs/dbraw/zinc/16/54/99/1169165499.db2.gz XMUHYODHJHXJTB-HTAVTVPLSA-N 2 2 196.338 1.859 10 0 ADAELP CC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2C)C1 123335362 1169165516 /nfs/dbraw/zinc/16/55/16/1169165516.db2.gz XMUHYODHJHXJTB-MCIGGMRASA-N 2 2 196.338 1.859 10 0 ADAELP CC1CC([NH2+]C[C@@H]2CCCC[N@H+]2C)C1 123335362 1169165518 /nfs/dbraw/zinc/16/55/18/1169165518.db2.gz XMUHYODHJHXJTB-MCIGGMRASA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]C1CCCCC1 130203952 1169182607 /nfs/dbraw/zinc/18/26/07/1169182607.db2.gz NHHFHILYMANNBP-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]C1CCCC1 130159214 1169182641 /nfs/dbraw/zinc/18/26/41/1169182641.db2.gz SPXIRXPFSRGDDL-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP Cc1nc(N[C@H](C)C[NH+](C)C)cc[nH+]1 130606731 1169182695 /nfs/dbraw/zinc/18/26/95/1169182695.db2.gz RXYCMPCLCQAMRY-MRVPVSSYSA-N 2 2 194.282 1.147 10 0 ADAELP CCC[C@H](C)[NH2+][C@H](C)C[NH+](C)C 130204794 1169183095 /nfs/dbraw/zinc/18/30/95/1169183095.db2.gz CVJCGUGRFJFHDG-VHSXEESVSA-N 2 2 172.316 1.715 10 0 ADAELP Cc1cc[nH+]c(N[C@H](C)C[NH+](C)C)c1 130597351 1169183138 /nfs/dbraw/zinc/18/31/38/1169183138.db2.gz ZQGKOGUUFLWIBL-SNVBAGLBSA-N 2 2 193.294 1.752 10 0 ADAELP CCC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C 130204575 1169183843 /nfs/dbraw/zinc/18/38/43/1169183843.db2.gz CVJCGUGRFJFHDG-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP C[NH2+]CC[N@H+](C)CC1CC(C)(C)C1 701474265 673978647 /nfs/dbraw/zinc/97/86/47/673978647.db2.gz HSLNENYFFABPPL-UHFFFAOYSA-N 2 2 184.327 1.574 10 0 ADAELP C[NH2+]CC[N@@H+](C)CC1CC(C)(C)C1 701474265 673978648 /nfs/dbraw/zinc/97/86/48/673978648.db2.gz HSLNENYFFABPPL-UHFFFAOYSA-N 2 2 184.327 1.574 10 0 ADAELP C[NH2+]CC[N@H+](C)CCC=C(C)C 704895241 673985353 /nfs/dbraw/zinc/98/53/53/673985353.db2.gz AMIATRJAKODMGZ-UHFFFAOYSA-N 2 2 170.300 1.494 10 0 ADAELP C[NH2+]CC[N@@H+](C)CCC=C(C)C 704895241 673985356 /nfs/dbraw/zinc/98/53/56/673985356.db2.gz AMIATRJAKODMGZ-UHFFFAOYSA-N 2 2 170.300 1.494 10 0 ADAELP C[NH2+]CC[N@H+](C)CC[C@@H]1C[C@H]1C1CC1 711986308 674004610 /nfs/dbraw/zinc/00/46/10/674004610.db2.gz HIPVCXQUNBSONO-NEPJUHHUSA-N 2 2 196.338 1.574 10 0 ADAELP C[NH2+]CC[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 711986308 674004611 /nfs/dbraw/zinc/00/46/11/674004611.db2.gz HIPVCXQUNBSONO-NEPJUHHUSA-N 2 2 196.338 1.574 10 0 ADAELP Cc1cccc(NC[C@H]2CC[N@H+]2C)[nH+]1 712562879 674011823 /nfs/dbraw/zinc/01/18/23/674011823.db2.gz JAJTWTGNPZBISW-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cccc(NC[C@H]2CC[N@@H+]2C)[nH+]1 712562879 674011826 /nfs/dbraw/zinc/01/18/26/674011826.db2.gz JAJTWTGNPZBISW-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cccc(NC[C@@H]2CC[N@@H+]2C)[nH+]1 712562876 674012643 /nfs/dbraw/zinc/01/26/43/674012643.db2.gz JAJTWTGNPZBISW-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cccc(NC[C@@H]2CC[N@H+]2C)[nH+]1 712562876 674012638 /nfs/dbraw/zinc/01/26/38/674012638.db2.gz JAJTWTGNPZBISW-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP C[NH2+]CC[N@H+](C)CCCC(C)(F)F 713961769 674017053 /nfs/dbraw/zinc/01/70/53/674017053.db2.gz JFXFRKWPSIIRPM-UHFFFAOYSA-N 2 2 194.269 1.573 10 0 ADAELP C[NH2+]CC[N@@H+](C)CCCC(C)(F)F 713961769 674017054 /nfs/dbraw/zinc/01/70/54/674017054.db2.gz JFXFRKWPSIIRPM-UHFFFAOYSA-N 2 2 194.269 1.573 10 0 ADAELP C=C/C=C\CC[N@@H+](C)CC[NH2+]C 713716138 674015888 /nfs/dbraw/zinc/01/58/88/674015888.db2.gz BAWFWYXYPKGTAS-WAYWQWQTSA-N 2 2 168.284 1.270 10 0 ADAELP C=C/C=C\CC[N@H+](C)CC[NH2+]C 713716138 674015890 /nfs/dbraw/zinc/01/58/90/674015890.db2.gz BAWFWYXYPKGTAS-WAYWQWQTSA-N 2 2 168.284 1.270 10 0 ADAELP C=C/C=C/CC[N@@H+](C)CC[NH2+]C 713716137 674016007 /nfs/dbraw/zinc/01/60/07/674016007.db2.gz BAWFWYXYPKGTAS-AATRIKPKSA-N 2 2 168.284 1.270 10 0 ADAELP C=C/C=C/CC[N@H+](C)CC[NH2+]C 713716137 674016008 /nfs/dbraw/zinc/01/60/08/674016008.db2.gz BAWFWYXYPKGTAS-AATRIKPKSA-N 2 2 168.284 1.270 10 0 ADAELP FCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 714998960 674018258 /nfs/dbraw/zinc/01/82/58/674018258.db2.gz NDICYMDAOBGYBU-VHSXEESVSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 714998960 674018259 /nfs/dbraw/zinc/01/82/59/674018259.db2.gz NDICYMDAOBGYBU-VHSXEESVSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 714998961 674018208 /nfs/dbraw/zinc/01/82/08/674018208.db2.gz NDICYMDAOBGYBU-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 714998961 674018210 /nfs/dbraw/zinc/01/82/10/674018210.db2.gz NDICYMDAOBGYBU-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 714998959 674018215 /nfs/dbraw/zinc/01/82/15/674018215.db2.gz NDICYMDAOBGYBU-UWVGGRQHSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 714998959 674018218 /nfs/dbraw/zinc/01/82/18/674018218.db2.gz NDICYMDAOBGYBU-UWVGGRQHSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 714998958 674018468 /nfs/dbraw/zinc/01/84/68/674018468.db2.gz NDICYMDAOBGYBU-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 714998958 674018470 /nfs/dbraw/zinc/01/84/70/674018470.db2.gz NDICYMDAOBGYBU-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP [NH3+][C@H]1C[C@H](CNc2cccc[nH+]2)C1 715108652 674020538 /nfs/dbraw/zinc/02/05/38/674020538.db2.gz FUMCOXBWMYJGNC-KYZUINATSA-N 2 2 177.251 1.231 10 0 ADAELP [NH3+][C@H]1C[C@@H](CNc2cccc[nH+]2)C1 715092388 674020587 /nfs/dbraw/zinc/02/05/87/674020587.db2.gz FUMCOXBWMYJGNC-DTORHVGOSA-N 2 2 177.251 1.231 10 0 ADAELP CC(C)[N@H+](C)C1CC[NH+](C)CC1 147958852 1169241158 /nfs/dbraw/zinc/24/11/58/1169241158.db2.gz NFOIDBSVEXPOOU-UHFFFAOYSA-N 2 2 170.300 1.421 10 0 ADAELP CC(C)[N@@H+](C)C1CC[NH+](C)CC1 147958852 1169241165 /nfs/dbraw/zinc/24/11/65/1169241165.db2.gz NFOIDBSVEXPOOU-UHFFFAOYSA-N 2 2 170.300 1.421 10 0 ADAELP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 149973395 1169255910 /nfs/dbraw/zinc/25/59/10/1169255910.db2.gz ILVZENLMVAWJNW-JTQLQIEISA-N 2 2 182.311 1.422 10 0 ADAELP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 149973395 1169255921 /nfs/dbraw/zinc/25/59/21/1169255921.db2.gz ILVZENLMVAWJNW-JTQLQIEISA-N 2 2 182.311 1.422 10 0 ADAELP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 149973160 1169257267 /nfs/dbraw/zinc/25/72/67/1169257267.db2.gz ILVZENLMVAWJNW-SNVBAGLBSA-N 2 2 182.311 1.422 10 0 ADAELP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 149973160 1169257279 /nfs/dbraw/zinc/25/72/79/1169257279.db2.gz ILVZENLMVAWJNW-SNVBAGLBSA-N 2 2 182.311 1.422 10 0 ADAELP CC[N@H+](C1CC1)C1CC[NH+](C)CC1 166839358 1169278324 /nfs/dbraw/zinc/27/83/24/1169278324.db2.gz GVCKRVCHQPNFFH-UHFFFAOYSA-N 2 2 182.311 1.565 10 0 ADAELP CC[N@@H+](C1CC1)C1CC[NH+](C)CC1 166839358 1169278334 /nfs/dbraw/zinc/27/83/34/1169278334.db2.gz GVCKRVCHQPNFFH-UHFFFAOYSA-N 2 2 182.311 1.565 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C 37911219 674063437 /nfs/dbraw/zinc/06/34/37/674063437.db2.gz FKWAKDSKKYKSIG-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C 37911219 674063438 /nfs/dbraw/zinc/06/34/38/674063438.db2.gz FKWAKDSKKYKSIG-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[NH2+]C[C@H](C)[NH+](C)C 38088370 674064145 /nfs/dbraw/zinc/06/41/45/674064145.db2.gz FDMUKBXYOQNXAH-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CCCC[NH2+]C[C@@H](C)[NH+](C)C 38088369 674064511 /nfs/dbraw/zinc/06/45/11/674064511.db2.gz FDMUKBXYOQNXAH-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CC(C)[NH2+]C[C@H](C)[NH+]1CCCCC1 38028611 674064660 /nfs/dbraw/zinc/06/46/60/674064660.db2.gz IFBXWEJPTRSJTF-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1CNc1cccc[nH+]1 723813625 674079399 /nfs/dbraw/zinc/07/93/99/674079399.db2.gz RWPOTDSCJIAVRG-ZJUUUORDSA-N 2 2 191.278 1.349 10 0 ADAELP COc1cc[nH+]c(NCC(C)(C)[NH3+])c1 211512798 1169325394 /nfs/dbraw/zinc/32/53/94/1169325394.db2.gz MDYVKBMXOQRNPQ-UHFFFAOYSA-N 2 2 195.266 1.239 10 0 ADAELP CC[N@H+]1CC[C@]2(CCCC[NH2+]2)C1 211344423 1169326648 /nfs/dbraw/zinc/32/66/48/1169326648.db2.gz ONGXZUXSIZNRGJ-SNVBAGLBSA-N 2 2 168.284 1.224 10 0 ADAELP CC[N@@H+]1CC[C@]2(CCCC[NH2+]2)C1 211344423 1169326638 /nfs/dbraw/zinc/32/66/38/1169326638.db2.gz ONGXZUXSIZNRGJ-SNVBAGLBSA-N 2 2 168.284 1.224 10 0 ADAELP CC[N@@H+]1CC[C@@]2(CCCC[NH2+]2)C1 211344496 1169329311 /nfs/dbraw/zinc/32/93/11/1169329311.db2.gz ONGXZUXSIZNRGJ-JTQLQIEISA-N 2 2 168.284 1.224 10 0 ADAELP CC[N@H+]1CC[C@@]2(CCCC[NH2+]2)C1 211344496 1169329321 /nfs/dbraw/zinc/32/93/21/1169329321.db2.gz ONGXZUXSIZNRGJ-JTQLQIEISA-N 2 2 168.284 1.224 10 0 ADAELP C[C@@H](Cc1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 218882799 1169344205 /nfs/dbraw/zinc/34/42/05/1169344205.db2.gz QRZBCMYSFADBTD-VHSXEESVSA-N 2 2 194.278 1.244 10 0 ADAELP C[C@@H](Cc1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 218882799 1169344214 /nfs/dbraw/zinc/34/42/14/1169344214.db2.gz QRZBCMYSFADBTD-VHSXEESVSA-N 2 2 194.278 1.244 10 0 ADAELP C[C@H](Cc1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 218882876 1169344331 /nfs/dbraw/zinc/34/43/31/1169344331.db2.gz QRZBCMYSFADBTD-NXEZZACHSA-N 2 2 194.278 1.244 10 0 ADAELP C[C@H](Cc1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 218882876 1169344340 /nfs/dbraw/zinc/34/43/40/1169344340.db2.gz QRZBCMYSFADBTD-NXEZZACHSA-N 2 2 194.278 1.244 10 0 ADAELP [NH3+]CCc1[nH+]ccn1[C@H]1CCSC1 221454366 1169352682 /nfs/dbraw/zinc/35/26/82/1169352682.db2.gz MXXXHRSSQVJURY-QMMMGPOBSA-N 2 2 197.307 1.062 10 0 ADAELP Cn1c[nH+]cc1-c1cccc(C[NH3+])c1 221369321 1169352747 /nfs/dbraw/zinc/35/27/47/1169352747.db2.gz WXKFLGVZNIZXNB-UHFFFAOYSA-N 2 2 187.246 1.546 10 0 ADAELP Cn1c[nH+]cc1-c1ccccc1C[NH3+] 221369409 1169353725 /nfs/dbraw/zinc/35/37/25/1169353725.db2.gz TYDHHNDWEIADID-UHFFFAOYSA-N 2 2 187.246 1.546 10 0 ADAELP [NH3+]CCc1[nH+]ccn1[C@@H]1CCSC1 221454314 1169353856 /nfs/dbraw/zinc/35/38/56/1169353856.db2.gz MXXXHRSSQVJURY-MRVPVSSYSA-N 2 2 197.307 1.062 10 0 ADAELP CCSC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 228172384 1169383528 /nfs/dbraw/zinc/38/35/28/1169383528.db2.gz SKKYLUAZWHDTDW-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CCSC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 228172384 1169383533 /nfs/dbraw/zinc/38/35/33/1169383533.db2.gz SKKYLUAZWHDTDW-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CCSC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 228172370 1169383947 /nfs/dbraw/zinc/38/39/47/1169383947.db2.gz SKKYLUAZWHDTDW-RKDXNWHRSA-N 2 2 188.340 1.161 10 0 ADAELP CCSC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 228172370 1169383960 /nfs/dbraw/zinc/38/39/60/1169383960.db2.gz SKKYLUAZWHDTDW-RKDXNWHRSA-N 2 2 188.340 1.161 10 0 ADAELP CCC[C@H](C)n1cc[nH+]c1CC[NH3+] 233343625 1169411735 /nfs/dbraw/zinc/41/17/35/1169411735.db2.gz RWWLPTFFVVGWJL-VIFPVBQESA-N 2 2 181.283 1.745 10 0 ADAELP CC[NH2+]CC[NH+]1CCC(C(C)C)CC1 233510704 1169411844 /nfs/dbraw/zinc/41/18/44/1169411844.db2.gz GHPHMCVVHFVRLZ-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CCC[C@@H](C)n1cc[nH+]c1CC[NH3+] 233286606 1169412745 /nfs/dbraw/zinc/41/27/45/1169412745.db2.gz RWWLPTFFVVGWJL-SECBINFHSA-N 2 2 181.283 1.745 10 0 ADAELP Nc1[nH+]cccc1-c1ccccc1C[NH3+] 238688355 1169421573 /nfs/dbraw/zinc/42/15/73/1169421573.db2.gz PHMVAQHUSNRBLU-UHFFFAOYSA-N 2 2 199.257 1.790 10 0 ADAELP 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1169501683 /nfs/dbraw/zinc/50/16/83/1169501683.db2.gz KUPPUIFKUQCYKC-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CCC[C@@H]([NH2+]CC2C[NH+](C)C2)C1 307075984 1169503146 /nfs/dbraw/zinc/50/31/46/1169503146.db2.gz KUPPUIFKUQCYKC-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+]1CC(C[NH2+][C@@H]2CCC(C)(C)C2)C1 307441498 1169521742 /nfs/dbraw/zinc/52/17/42/1169521742.db2.gz RWEMCDUYLDNGJH-LLVKDONJSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+]1CC(C[NH2+][C@H]2CCC(C)(C)C2)C1 307441503 1169521988 /nfs/dbraw/zinc/52/19/88/1169521988.db2.gz RWEMCDUYLDNGJH-NSHDSACASA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[NH2+]C(C)(C)C[NH+](C)C 307646853 1169534553 /nfs/dbraw/zinc/53/45/53/1169534553.db2.gz CAWTXDZEQSGXRM-UHFFFAOYSA-N 2 2 158.289 1.325 10 0 ADAELP CC(C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 307736644 1169541346 /nfs/dbraw/zinc/54/13/46/1169541346.db2.gz SLHWKYUUVDTZSK-GXSJLCMTSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C 307736644 1169541353 /nfs/dbraw/zinc/54/13/53/1169541353.db2.gz SLHWKYUUVDTZSK-GXSJLCMTSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C 307736647 1169543137 /nfs/dbraw/zinc/54/31/37/1169543137.db2.gz SLHWKYUUVDTZSK-MWLCHTKSSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C 307736647 1169543142 /nfs/dbraw/zinc/54/31/42/1169543142.db2.gz SLHWKYUUVDTZSK-MWLCHTKSSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C 307736646 1169543357 /nfs/dbraw/zinc/54/33/57/1169543357.db2.gz SLHWKYUUVDTZSK-KOLCDFICSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C 307736646 1169543363 /nfs/dbraw/zinc/54/33/63/1169543363.db2.gz SLHWKYUUVDTZSK-KOLCDFICSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C 307736649 1169543458 /nfs/dbraw/zinc/54/34/58/1169543458.db2.gz SLHWKYUUVDTZSK-ONGXEEELSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C 307736649 1169543462 /nfs/dbraw/zinc/54/34/62/1169543462.db2.gz SLHWKYUUVDTZSK-ONGXEEELSA-N 2 2 182.311 1.467 10 0 ADAELP C1CC[NH+](CC[NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 397637320 1169662725 /nfs/dbraw/zinc/66/27/25/1169662725.db2.gz PYSMTJRYAPMVEP-ZSBIGDGJSA-N 2 2 194.322 1.470 10 0 ADAELP Cn1c[nH+]cc1-c1ccc2c(c1)C[NH2+]C2 708046589 1169719457 /nfs/dbraw/zinc/71/94/57/1169719457.db2.gz KAIGYQYPRRRVLW-UHFFFAOYSA-N 2 2 199.257 1.690 10 0 ADAELP CC1(C)CC[NH2+]CC[N@@H+]1CCF 712541238 1169729060 /nfs/dbraw/zinc/72/90/60/1169729060.db2.gz RQOPJBYECLHWFU-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP CC1(C)CC[NH2+]CC[N@H+]1CCF 712541238 1169729064 /nfs/dbraw/zinc/72/90/64/1169729064.db2.gz RQOPJBYECLHWFU-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 713960641 1169733524 /nfs/dbraw/zinc/73/35/24/1169733524.db2.gz ITPKEJGCCZCDKO-MMWGEVLESA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 713960638 1169734708 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YQDNWOXBQLWNLG-JTQLQIEISA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+]1CCC[C@H]([N@@H+](C)CCF)CC1 1254534615 1169885798 /nfs/dbraw/zinc/88/57/98/1169885798.db2.gz YQDNWOXBQLWNLG-JTQLQIEISA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+](CCF)[C@H]1CCC[N@H+](C)CC1 1254534615 1169885803 /nfs/dbraw/zinc/88/58/03/1169885803.db2.gz YQDNWOXBQLWNLG-JTQLQIEISA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+]1CCC[C@@H]([N@H+](C)CCF)CC1 1254534616 1169887377 /nfs/dbraw/zinc/88/73/77/1169887377.db2.gz YQDNWOXBQLWNLG-SNVBAGLBSA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+]1CCC[C@@H]([N@@H+](C)CCF)CC1 1254534616 1169887380 /nfs/dbraw/zinc/88/73/80/1169887380.db2.gz YQDNWOXBQLWNLG-SNVBAGLBSA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+](CCF)[C@@H]1CCC[N@H+](C)CC1 1254534616 1169887385 /nfs/dbraw/zinc/88/73/85/1169887385.db2.gz YQDNWOXBQLWNLG-SNVBAGLBSA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+](CCF)[C@@H]1CCC[N@@H+](C)CC1 1254534616 1169887393 /nfs/dbraw/zinc/88/73/93/1169887393.db2.gz YQDNWOXBQLWNLG-SNVBAGLBSA-N 2 2 188.290 1.372 10 0 ADAELP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCCCCC1 1255882022 1169957544 /nfs/dbraw/zinc/95/75/44/1169957544.db2.gz ZZPZUECGMBWLJY-GHMZBOCLSA-N 2 2 198.310 1.025 10 0 ADAELP C[C@@H]1CC[N@@H+]1C1CC[NH+](C)CC1 1256203077 1169960823 /nfs/dbraw/zinc/96/08/23/1169960823.db2.gz QQXINZYXODFCCF-SECBINFHSA-N 2 2 168.284 1.175 10 0 ADAELP C[C@@H]1CC[N@H+]1C1CC[NH+](C)CC1 1256203077 1169960829 /nfs/dbraw/zinc/96/08/29/1169960829.db2.gz QQXINZYXODFCCF-SECBINFHSA-N 2 2 168.284 1.175 10 0 ADAELP F[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 1256067789 1169962134 /nfs/dbraw/zinc/96/21/34/1169962134.db2.gz JYOBJXWONPNYJB-GHMZBOCLSA-N 2 2 198.285 1.313 10 0 ADAELP C[C@H]1CC[N@@H+]1C1CC[NH+](C)CC1 1256203078 1169962588 /nfs/dbraw/zinc/96/25/88/1169962588.db2.gz QQXINZYXODFCCF-VIFPVBQESA-N 2 2 168.284 1.175 10 0 ADAELP C[C@H]1CC[N@H+]1C1CC[NH+](C)CC1 1256203078 1169962595 /nfs/dbraw/zinc/96/25/95/1169962595.db2.gz QQXINZYXODFCCF-VIFPVBQESA-N 2 2 168.284 1.175 10 0 ADAELP C[C@H]1CCCC[N@@H+]1C1CC[NH+](C)CC1 1256202370 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PQPWCNKJYNMPFM-UHFFFAOYSA-N 2 2 197.307 1.196 10 0 ADAELP C[N@@H+](Cc1csc(C[NH3+])n1)C1CC1 52445420 566257628 /nfs/dbraw/zinc/25/76/28/566257628.db2.gz PQPWCNKJYNMPFM-UHFFFAOYSA-N 2 2 197.307 1.196 10 0 ADAELP CC(C)[N@H+](C)Cc1csc(C[NH3+])n1 52419614 566259123 /nfs/dbraw/zinc/25/91/23/566259123.db2.gz BEKGYCSHEHKELR-UHFFFAOYSA-N 2 2 199.323 1.442 10 0 ADAELP CC(C)[N@@H+](C)Cc1csc(C[NH3+])n1 52419614 566259129 /nfs/dbraw/zinc/25/91/29/566259129.db2.gz BEKGYCSHEHKELR-UHFFFAOYSA-N 2 2 199.323 1.442 10 0 ADAELP Cc1cc(C2=C[C@H]([NH3+])C[NH2+]C2)cs1 675079368 566311120 /nfs/dbraw/zinc/31/11/20/566311120.db2.gz YDPXJCOOKCLWFX-JTQLQIEISA-N 2 2 194.303 1.370 10 0 ADAELP [NH3+][C@@H]1C=C(c2ccccc2F)C[NH2+]C1 675078823 566311669 /nfs/dbraw/zinc/31/16/69/566311669.db2.gz UGSSRDMSSHKZBE-SECBINFHSA-N 2 2 192.237 1.140 10 0 ADAELP Cc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)cs1 675079369 566312073 /nfs/dbraw/zinc/31/20/73/566312073.db2.gz YDPXJCOOKCLWFX-SNVBAGLBSA-N 2 2 194.303 1.370 10 0 ADAELP 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C[NH2+]C[C@@H](C(C)C)[N@H+]1CC[C@H](C)C1 52484267 571682294 /nfs/dbraw/zinc/68/22/94/571682294.db2.gz XEBYUSCCCNRAGE-QWRGUYRKSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+](C)[C@H](C)C(C)C 52478340 571682359 /nfs/dbraw/zinc/68/23/59/571682359.db2.gz KPCWHFJGJZNXIF-VHSXEESVSA-N 2 2 172.316 1.571 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+](C)[C@H](C)C(C)C 52478340 571682362 /nfs/dbraw/zinc/68/23/62/571682362.db2.gz KPCWHFJGJZNXIF-VHSXEESVSA-N 2 2 172.316 1.571 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCC[C@H](C)C1 52381061 571682743 /nfs/dbraw/zinc/68/27/43/571682743.db2.gz VLMYWFWCXZKUAK-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCC[C@H](C)C1 52381061 571682748 /nfs/dbraw/zinc/68/27/48/571682748.db2.gz VLMYWFWCXZKUAK-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+]1CCC[C@H](C)C1 52381140 571683308 /nfs/dbraw/zinc/68/33/08/571683308.db2.gz YXHQFUQYDHUZFV-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+]1CCC[C@H](C)C1 52381140 571683311 /nfs/dbraw/zinc/68/33/11/571683311.db2.gz YXHQFUQYDHUZFV-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+]1CCC[C@H]1CC 52374863 571683500 /nfs/dbraw/zinc/68/35/00/571683500.db2.gz XNOYLNQEUVDONX-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+]1CCC[C@H]1CC 52374863 571683504 /nfs/dbraw/zinc/68/35/04/571683504.db2.gz XNOYLNQEUVDONX-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+]1CCC[C@H](C)C1 52381138 571684011 /nfs/dbraw/zinc/68/40/11/571684011.db2.gz YXHQFUQYDHUZFV-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+]1CCC[C@H](C)C1 52381138 571684015 /nfs/dbraw/zinc/68/40/15/571684015.db2.gz YXHQFUQYDHUZFV-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]([NH3+])Cc1cn(CC(F)F)c[nH+]1 235226236 571687241 /nfs/dbraw/zinc/68/72/41/571687241.db2.gz OGGMYYTXVXIOMK-ZCFIWIBFSA-N 2 2 189.209 1.038 10 0 ADAELP CC(C)C[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 37108348 571687626 /nfs/dbraw/zinc/68/76/26/571687626.db2.gz DHKANVGWTDXYRP-VHSXEESVSA-N 2 2 170.300 1.454 10 0 ADAELP CC(C)C[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 37108348 571687628 /nfs/dbraw/zinc/68/76/28/571687628.db2.gz DHKANVGWTDXYRP-VHSXEESVSA-N 2 2 170.300 1.454 10 0 ADAELP CC(C)C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 37108412 571688396 /nfs/dbraw/zinc/68/83/96/571688396.db2.gz GFODBFCICCSLIV-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 37108412 571688399 /nfs/dbraw/zinc/68/83/99/571688399.db2.gz GFODBFCICCSLIV-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 37108411 571688424 /nfs/dbraw/zinc/68/84/24/571688424.db2.gz GFODBFCICCSLIV-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 37108411 571688427 /nfs/dbraw/zinc/68/84/27/571688427.db2.gz GFODBFCICCSLIV-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C)C1 37115962 571689558 /nfs/dbraw/zinc/68/95/58/571689558.db2.gz DHNOYJBWOQKABT-QWRGUYRKSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCC[C@H](C)C1 37115962 571689560 /nfs/dbraw/zinc/68/95/60/571689560.db2.gz DHNOYJBWOQKABT-QWRGUYRKSA-N 2 2 184.327 1.702 10 0 ADAELP C[NH2+]C[C@H](C)[NH2+]Cc1ccnc(C)c1 234403927 571689665 /nfs/dbraw/zinc/68/96/65/571689665.db2.gz JXKXFJXTVXVOTG-JTQLQIEISA-N 2 2 193.294 1.088 10 0 ADAELP CCC[C@@H]1CCC[N@H+](CC(N)=[NH2+])CC1 70613623 571689899 /nfs/dbraw/zinc/68/98/99/571689899.db2.gz OFTCJEIHNVEYGX-SNVBAGLBSA-N 2 2 197.326 1.825 10 0 ADAELP CCC[C@@H]1CCC[N@@H+](CC(N)=[NH2+])CC1 70613623 571689901 /nfs/dbraw/zinc/68/99/01/571689901.db2.gz OFTCJEIHNVEYGX-SNVBAGLBSA-N 2 2 197.326 1.825 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 37117255 571689909 /nfs/dbraw/zinc/68/99/09/571689909.db2.gz DDMAFAWOBFPRTG-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]2CCCC[C@@H]21 37117255 571689915 /nfs/dbraw/zinc/68/99/15/571689915.db2.gz DDMAFAWOBFPRTG-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1C 37115947 571690280 /nfs/dbraw/zinc/69/02/80/571690280.db2.gz ZBZYQOGUEIJSJX-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1C 37115947 571690282 /nfs/dbraw/zinc/69/02/82/571690282.db2.gz ZBZYQOGUEIJSJX-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 37108349 571690291 /nfs/dbraw/zinc/69/02/91/571690291.db2.gz DHKANVGWTDXYRP-UWVGGRQHSA-N 2 2 170.300 1.454 10 0 ADAELP CC(C)C[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 37108349 571690295 /nfs/dbraw/zinc/69/02/95/571690295.db2.gz DHKANVGWTDXYRP-UWVGGRQHSA-N 2 2 170.300 1.454 10 0 ADAELP CC[NH2+][C@@H]1CC[N@H+](CCSC)C1 70559131 571691108 /nfs/dbraw/zinc/69/11/08/571691108.db2.gz BPBXOTJTAHQTLN-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CC[NH2+][C@@H]1CC[N@@H+](CCSC)C1 70559131 571691112 /nfs/dbraw/zinc/69/11/12/571691112.db2.gz BPBXOTJTAHQTLN-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H]1CC[N@H+](CCCSC)C1 70559142 571691322 /nfs/dbraw/zinc/69/13/22/571691322.db2.gz VYEZQYWCBPZDCD-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+](CCCSC)C1 70559142 571691324 /nfs/dbraw/zinc/69/13/24/571691324.db2.gz VYEZQYWCBPZDCD-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[N@H+](CC[NH3+])CCc1ccsc1 70559389 571691936 /nfs/dbraw/zinc/69/19/36/571691936.db2.gz CTELGAYQJUTGAL-UHFFFAOYSA-N 2 2 184.308 1.181 10 0 ADAELP C[N@@H+](CC[NH3+])CCc1ccsc1 70559389 571691939 /nfs/dbraw/zinc/69/19/39/571691939.db2.gz CTELGAYQJUTGAL-UHFFFAOYSA-N 2 2 184.308 1.181 10 0 ADAELP C[C@@H]1CC(C)(C)[N@@H+]1CCn1cc[nH+]c1 687716361 571693257 /nfs/dbraw/zinc/69/32/57/571693257.db2.gz KFLIQUNKLDSTRS-SNVBAGLBSA-N 2 2 193.294 1.756 10 0 ADAELP C[C@H]1CC(C)(C)[N@@H+]1CCn1cc[nH+]c1 687716360 571693214 /nfs/dbraw/zinc/69/32/14/571693214.db2.gz KFLIQUNKLDSTRS-JTQLQIEISA-N 2 2 193.294 1.756 10 0 ADAELP C[C@H]1CC(C)(C)[N@H+]1CCn1cc[nH+]c1 687716360 571693218 /nfs/dbraw/zinc/69/32/18/571693218.db2.gz KFLIQUNKLDSTRS-JTQLQIEISA-N 2 2 193.294 1.756 10 0 ADAELP C[C@@H]1CC(C)(C)[N@H+]1CCn1cc[nH+]c1 687716361 571693263 /nfs/dbraw/zinc/69/32/63/571693263.db2.gz KFLIQUNKLDSTRS-SNVBAGLBSA-N 2 2 193.294 1.756 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+](CCCSC)C1 70559141 571693315 /nfs/dbraw/zinc/69/33/15/571693315.db2.gz VYEZQYWCBPZDCD-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+](CCCSC)C1 70559141 571693319 /nfs/dbraw/zinc/69/33/19/571693319.db2.gz VYEZQYWCBPZDCD-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CC[NH2+][C@H]1CC[N@H+](CCSC)C1 70559132 571693524 /nfs/dbraw/zinc/69/35/24/571693524.db2.gz BPBXOTJTAHQTLN-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP CC[NH2+][C@H]1CC[N@@H+](CCSC)C1 70559132 571693526 /nfs/dbraw/zinc/69/35/26/571693526.db2.gz BPBXOTJTAHQTLN-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H](C1CCCC1)[C@H]1CC[N@H+]1C 213963532 571695186 /nfs/dbraw/zinc/69/51/86/571695186.db2.gz GUUHVFYOTWXREE-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@H](C1CCCC1)C1C[NH+](C)C1 213965986 571694535 /nfs/dbraw/zinc/69/45/35/571694535.db2.gz KICWPEQJARZXNP-LLVKDONJSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@@H+]1CCCCC[C@H]1[C@H]([NH3+])C1CC1 213961635 571694822 /nfs/dbraw/zinc/69/48/22/571694822.db2.gz SPECIIGAVIEHDG-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+]1CCCCC[C@H]1[C@H]([NH3+])C1CC1 213961635 571694829 /nfs/dbraw/zinc/69/48/29/571694829.db2.gz SPECIIGAVIEHDG-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@@H](C1CCCC1)C1C[NH+](C)C1 213965922 571694924 /nfs/dbraw/zinc/69/49/24/571694924.db2.gz KICWPEQJARZXNP-NSHDSACASA-N 2 2 182.311 1.326 10 0 ADAELP C[NH2+][C@@H](C1CCCC1)[C@@H]1CC[N@@H+]1C 213963355 571695124 /nfs/dbraw/zinc/69/51/24/571695124.db2.gz GUUHVFYOTWXREE-QWRGUYRKSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H](C1CCCC1)[C@@H]1CC[N@H+]1C 213963355 571695125 /nfs/dbraw/zinc/69/51/25/571695125.db2.gz GUUHVFYOTWXREE-QWRGUYRKSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@H](C1CCCC1)[C@H]1CC[N@@H+]1C 213963532 571695181 /nfs/dbraw/zinc/69/51/81/571695181.db2.gz GUUHVFYOTWXREE-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[NH+](CCC)[C@@H]1CCC[C@@H]1[NH3+] 22564263 571695331 /nfs/dbraw/zinc/69/53/31/571695331.db2.gz YHVPMRXTSZVDCY-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP C[N@@H+]1CCCCC[C@@H]1[C@H]([NH3+])C1CC1 213961582 571695377 /nfs/dbraw/zinc/69/53/77/571695377.db2.gz SPECIIGAVIEHDG-GHMZBOCLSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+]1CCCCC[C@@H]1[C@H]([NH3+])C1CC1 213961582 571695380 /nfs/dbraw/zinc/69/53/80/571695380.db2.gz SPECIIGAVIEHDG-GHMZBOCLSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@@H+]1CC[C@@H]1[C@H]([NH3+])C1CCCCC1 213963050 571695508 /nfs/dbraw/zinc/69/55/08/571695508.db2.gz DLCSDFMMLRJLTR-GHMZBOCLSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+]1CC[C@@H]1[C@H]([NH3+])C1CCCCC1 213963050 571695511 /nfs/dbraw/zinc/69/55/11/571695511.db2.gz DLCSDFMMLRJLTR-GHMZBOCLSA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@@H](C1CCCC1)[C@H]1CC[N@@H+]1C 213963472 571695875 /nfs/dbraw/zinc/69/58/75/571695875.db2.gz GUUHVFYOTWXREE-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H](C1CCCC1)[C@H]1CC[N@H+]1C 213963472 571695879 /nfs/dbraw/zinc/69/58/79/571695879.db2.gz GUUHVFYOTWXREE-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+]1CC[C@H]1[C@H]([NH3+])C1CCCCC1 213963113 571696425 /nfs/dbraw/zinc/69/64/25/571696425.db2.gz DLCSDFMMLRJLTR-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+]1CC[C@H]1[C@H]([NH3+])C1CCCCC1 213963113 571696430 /nfs/dbraw/zinc/69/64/30/571696430.db2.gz DLCSDFMMLRJLTR-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP CCC[N@@H+]1CC[C@H]([NH2+]C)[C@H]1C1CCC1 712098293 571696538 /nfs/dbraw/zinc/69/65/38/571696538.db2.gz VFJZQHLMBUNBQW-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]1CC[C@H]([NH2+]C)[C@H]1C1CCC1 712098293 571696541 /nfs/dbraw/zinc/69/65/41/571696541.db2.gz VFJZQHLMBUNBQW-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@@H+]1CC[C@@H]([NH2+]C)[C@H]1C1CCC1 712098321 571696865 /nfs/dbraw/zinc/69/68/65/571696865.db2.gz VFJZQHLMBUNBQW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]1CC[C@@H]([NH2+]C)[C@H]1C1CCC1 712098321 571696867 /nfs/dbraw/zinc/69/68/67/571696867.db2.gz VFJZQHLMBUNBQW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(F)F 386378520 571696990 /nfs/dbraw/zinc/69/69/90/571696990.db2.gz CYTMZQPGDRKXLL-MRVPVSSYSA-N 2 2 192.253 1.325 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+]CCC(F)F 386378520 571696993 /nfs/dbraw/zinc/69/69/93/571696993.db2.gz CYTMZQPGDRKXLL-MRVPVSSYSA-N 2 2 192.253 1.325 10 0 ADAELP C[N@H+](CC1CCC1)C[C@]1(C)CCC[NH2+]1 70619918 571697161 /nfs/dbraw/zinc/69/71/61/571697161.db2.gz IQQOBGWWFAXUOR-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+](CC1CCC1)C[C@]1(C)CCC[NH2+]1 70619918 571697163 /nfs/dbraw/zinc/69/71/63/571697163.db2.gz IQQOBGWWFAXUOR-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[N@H+](CC)C[C@@]1(C)CCC[NH2+]1 70619578 571697362 /nfs/dbraw/zinc/69/73/62/571697362.db2.gz HCUUGYWPGVADIE-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[N@@H+](CC)C[C@@]1(C)CCC[NH2+]1 70619578 571697365 /nfs/dbraw/zinc/69/73/65/571697365.db2.gz HCUUGYWPGVADIE-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CC[C@@H](C)[N@H+](C)C[C@]1(C)CCC[NH2+]1 70619587 571697469 /nfs/dbraw/zinc/69/74/69/571697469.db2.gz VOGYAITXIIRCEF-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@@H+](C)C[C@]1(C)CCC[NH2+]1 70619587 571697474 /nfs/dbraw/zinc/69/74/74/571697474.db2.gz VOGYAITXIIRCEF-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+]1CC[C@H]([NH2+]C)[C@@H]1C1CCC1 712098310 571697667 /nfs/dbraw/zinc/69/76/67/571697667.db2.gz VFJZQHLMBUNBQW-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]1CC[C@H]([NH2+]C)[C@@H]1C1CCC1 712098310 571697670 /nfs/dbraw/zinc/69/76/70/571697670.db2.gz VFJZQHLMBUNBQW-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C[C@@]1(C)CCC[NH2+]1)C(C)C 70619572 571697798 /nfs/dbraw/zinc/69/77/98/571697798.db2.gz CRMHKSOMSBARBO-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+](C[C@@]1(C)CCC[NH2+]1)C(C)C 70619572 571697801 /nfs/dbraw/zinc/69/78/01/571697801.db2.gz CRMHKSOMSBARBO-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H](C1CC1)[N@H+](C)C[C@]1(C)CCC[NH2+]1 70619623 571698070 /nfs/dbraw/zinc/69/80/70/571698070.db2.gz HPUWZDYTONKIJQ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C1CC1)[N@@H+](C)C[C@]1(C)CCC[NH2+]1 70619623 571698074 /nfs/dbraw/zinc/69/80/74/571698074.db2.gz HPUWZDYTONKIJQ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C1CC1)[N@H+](C)C[C@]1(C)CCC[NH2+]1 70619624 571698269 /nfs/dbraw/zinc/69/82/69/571698269.db2.gz HPUWZDYTONKIJQ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C1CC1)[N@@H+](C)C[C@]1(C)CCC[NH2+]1 70619624 571698272 /nfs/dbraw/zinc/69/82/72/571698272.db2.gz HPUWZDYTONKIJQ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@]1(C)CCC[NH2+]1 70619981 571698287 /nfs/dbraw/zinc/69/82/87/571698287.db2.gz VBQUCUJMDKOSLB-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@]1(C)CCC[NH2+]1 70619981 571698290 /nfs/dbraw/zinc/69/82/90/571698290.db2.gz VBQUCUJMDKOSLB-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 38028610 571698374 /nfs/dbraw/zinc/69/83/74/571698374.db2.gz IFBXWEJPTRSJTF-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+](C)C[C@]1(C)CCC[NH2+]1 70619588 571698452 /nfs/dbraw/zinc/69/84/52/571698452.db2.gz VOGYAITXIIRCEF-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@@H+](C)C[C@]1(C)CCC[NH2+]1 70619588 571698455 /nfs/dbraw/zinc/69/84/55/571698455.db2.gz VOGYAITXIIRCEF-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)C[N@H+](C)C[C@@]1(C)CCC[NH2+]1 70619586 571698500 /nfs/dbraw/zinc/69/85/00/571698500.db2.gz LYSWBXISOPKMTM-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]1 70619586 571698501 /nfs/dbraw/zinc/69/85/01/571698501.db2.gz LYSWBXISOPKMTM-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[N@@H+](CC)C[C@]1(C)CCC[NH2+]1 70619577 571699294 /nfs/dbraw/zinc/69/92/94/571699294.db2.gz HCUUGYWPGVADIE-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP 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CRMHKSOMSBARBO-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CSC1(Cn2c[nH+]cc2C[NH3+])CC1 235240229 571699987 /nfs/dbraw/zinc/69/99/87/571699987.db2.gz GCQJUBQAXNPRCD-UHFFFAOYSA-N 2 2 197.307 1.237 10 0 ADAELP CCC[C@@H](COC)[NH2+]Cc1c[nH+]c[nH]1 70625414 571700296 /nfs/dbraw/zinc/70/02/96/571700296.db2.gz NJSWSLINZBDVDO-VIFPVBQESA-N 2 2 197.282 1.314 10 0 ADAELP C[C@H](F)c1c[nH+]c(CCC[NH3+])[nH]1 214002745 571700529 /nfs/dbraw/zinc/70/05/29/571700529.db2.gz GCUIAZHQPQWPAQ-LURJTMIESA-N 2 2 171.219 1.332 10 0 ADAELP C[C@H](F)c1c[nH]c(CCC[NH3+])[nH+]1 214002745 571700532 /nfs/dbraw/zinc/70/05/32/571700532.db2.gz GCUIAZHQPQWPAQ-LURJTMIESA-N 2 2 171.219 1.332 10 0 ADAELP C[C@@H](F)c1c[nH+]c(CCC[NH3+])[nH]1 214002804 571700838 /nfs/dbraw/zinc/70/08/38/571700838.db2.gz GCUIAZHQPQWPAQ-ZCFIWIBFSA-N 2 2 171.219 1.332 10 0 ADAELP C[C@@H](F)c1c[nH]c(CCC[NH3+])[nH+]1 214002804 571700840 /nfs/dbraw/zinc/70/08/40/571700840.db2.gz GCUIAZHQPQWPAQ-ZCFIWIBFSA-N 2 2 171.219 1.332 10 0 ADAELP 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194.322 1.741 10 0 ADAELP CC[NH2+]CC[N@@H+](CC1CC1)C1CC1 70635507 571714176 /nfs/dbraw/zinc/71/41/76/571714176.db2.gz MZFRKVZCVVUHDY-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC1CC1)C1CC1 70635435 571714129 /nfs/dbraw/zinc/71/41/29/571714129.db2.gz HVJQNAITXAGLHA-SKDRFNHKSA-N 2 2 196.338 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC1CC1)C1CC1 70635435 571714134 /nfs/dbraw/zinc/71/41/34/571714134.db2.gz HVJQNAITXAGLHA-SKDRFNHKSA-N 2 2 196.338 1.987 10 0 ADAELP CC[NH2+]CC[N@H+](CC1CC1)C1CC1 70635507 571714173 /nfs/dbraw/zinc/71/41/73/571714173.db2.gz MZFRKVZCVVUHDY-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 23067834 571714282 /nfs/dbraw/zinc/71/42/82/571714282.db2.gz RGYPWGXQOWJAMQ-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCC[C@@H](C)C1 23067834 571714284 /nfs/dbraw/zinc/71/42/84/571714284.db2.gz RGYPWGXQOWJAMQ-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP 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CFJLQSMGVHVIBJ-VIFPVBQESA-N 2 2 196.319 1.890 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CCC1)c1cccs1 134122891 571716285 /nfs/dbraw/zinc/71/62/85/571716285.db2.gz CFJLQSMGVHVIBJ-SECBINFHSA-N 2 2 196.319 1.890 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1C 712155890 571717047 /nfs/dbraw/zinc/71/70/47/571717047.db2.gz WPQQMGHMTBPSHM-BDAKNGLRSA-N 2 2 156.273 1.079 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C 712155890 571717050 /nfs/dbraw/zinc/71/70/50/571717050.db2.gz WPQQMGHMTBPSHM-BDAKNGLRSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CC2)C1 70644087 571717167 /nfs/dbraw/zinc/71/71/67/571717167.db2.gz VMKYORAOYRQPTK-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CC2)C1 70644087 571717172 /nfs/dbraw/zinc/71/71/72/571717172.db2.gz VMKYORAOYRQPTK-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)C1 70643999 571717375 /nfs/dbraw/zinc/71/73/75/571717375.db2.gz VYONJEPAFXNNQV-WDEREUQCSA-N 2 2 184.327 1.716 10 0 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184.327 1.715 10 0 ADAELP Cc1[nH+]cc(C2([NH3+])CC2)n1C(C)C 214223467 571736324 /nfs/dbraw/zinc/73/63/24/571736324.db2.gz WXEJKTJDISLMQC-UHFFFAOYSA-N 2 2 179.267 1.720 10 0 ADAELP CCC([NH3+])(CC)COc1cc[nH+]cc1 70879573 571736515 /nfs/dbraw/zinc/73/65/15/571736515.db2.gz SXLGYOQQFBQCCM-UHFFFAOYSA-N 2 2 194.278 1.978 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+]CC[NH+]1CCCC1 235297082 571736579 /nfs/dbraw/zinc/73/65/79/571736579.db2.gz ZFBRJGBYDNSHDL-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP CC[C@@](C)([NH3+])COc1cc[nH+]cc1 70880136 571737281 /nfs/dbraw/zinc/73/72/81/571737281.db2.gz PXWCMHSILOSQOW-SNVBAGLBSA-N 2 2 180.251 1.588 10 0 ADAELP CC[C@@H](C(C)C)[N@H+](C)[C@@H]1CC[NH2+]C1 70892109 571737577 /nfs/dbraw/zinc/73/75/77/571737577.db2.gz ISKQMADSGKHTFN-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C(C)C)[N@@H+](C)[C@@H]1CC[NH2+]C1 70892109 571737581 /nfs/dbraw/zinc/73/75/81/571737581.db2.gz ISKQMADSGKHTFN-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP Cc1oc2c(c1CC[NH3+])C[N@H+](C)C2 214244871 571737824 /nfs/dbraw/zinc/73/78/24/571737824.db2.gz PDMPISACGFEHIS-UHFFFAOYSA-N 2 2 180.251 1.035 10 0 ADAELP Cc1oc2c(c1CC[NH3+])C[N@@H+](C)C2 214244871 571737825 /nfs/dbraw/zinc/73/78/25/571737825.db2.gz PDMPISACGFEHIS-UHFFFAOYSA-N 2 2 180.251 1.035 10 0 ADAELP CCC(CC)[N@H+](CC)[C@@H]1CC[NH2+]C1 70897569 571737899 /nfs/dbraw/zinc/73/78/99/571737899.db2.gz QOKCDTMFAMRFDM-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+](CC)[C@@H]1CC[NH2+]C1 70897569 571737903 /nfs/dbraw/zinc/73/79/03/571737903.db2.gz QOKCDTMFAMRFDM-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+]([C@@H](C)C(C)C)[C@@H]1CC[NH2+]C1 70897526 571738104 /nfs/dbraw/zinc/73/81/04/571738104.db2.gz HCZKJCXDMWXOOI-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+]([C@@H](C)C(C)C)[C@@H]1CC[NH2+]C1 70897526 571738106 /nfs/dbraw/zinc/73/81/06/571738106.db2.gz HCZKJCXDMWXOOI-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+](CC=C(C)C)[C@@H]1CC[NH2+]C1 70899666 571738189 /nfs/dbraw/zinc/73/81/89/571738189.db2.gz AHDIFVSBTIVRMN-LLVKDONJSA-N 2 2 182.311 1.636 10 0 ADAELP CC[N@@H+](CC=C(C)C)[C@@H]1CC[NH2+]C1 70899666 571738193 /nfs/dbraw/zinc/73/81/93/571738193.db2.gz AHDIFVSBTIVRMN-LLVKDONJSA-N 2 2 182.311 1.636 10 0 ADAELP CCC[N@H+]([C@@H](C)CC)[C@@H]1CC[NH2+]C1 70902014 571738233 /nfs/dbraw/zinc/73/82/33/571738233.db2.gz QWDZNICBDRFCDS-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+]([C@@H](C)CC)[C@@H]1CC[NH2+]C1 70902014 571738236 /nfs/dbraw/zinc/73/82/36/571738236.db2.gz QWDZNICBDRFCDS-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+]([C@H]1CC[NH2+]C1)[C@@H](C)C1CC1 70897582 571738412 /nfs/dbraw/zinc/73/84/12/571738412.db2.gz WBZHMIGUEQIEMN-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]([C@H]1CC[NH2+]C1)[C@@H](C)C1CC1 70897582 571738416 /nfs/dbraw/zinc/73/84/16/571738416.db2.gz WBZHMIGUEQIEMN-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+](CC=C(C)C)[C@H]1CC[NH2+]C1 70899669 571738523 /nfs/dbraw/zinc/73/85/23/571738523.db2.gz AHDIFVSBTIVRMN-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP CC[N@@H+](CC=C(C)C)[C@H]1CC[NH2+]C1 70899669 571738528 /nfs/dbraw/zinc/73/85/28/571738528.db2.gz AHDIFVSBTIVRMN-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C/C[N@@H+](CC)[C@H]1CC[NH2+]C1 70899681 571738719 /nfs/dbraw/zinc/73/87/19/571738719.db2.gz DHEHGILKDQZOBO-GFAPAMAISA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C/C[N@H+](CC)[C@H]1CC[NH2+]C1 70899681 571738722 /nfs/dbraw/zinc/73/87/22/571738722.db2.gz DHEHGILKDQZOBO-GFAPAMAISA-N 2 2 168.284 1.246 10 0 ADAELP CC[N@H+]([C@@H](C)C1CC1)[C@@H]1CC[NH2+]C1 70897576 571739348 /nfs/dbraw/zinc/73/93/48/571739348.db2.gz WBZHMIGUEQIEMN-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CC[NH2+]C1 70897576 571739350 /nfs/dbraw/zinc/73/93/50/571739350.db2.gz WBZHMIGUEQIEMN-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]([C@H]1CC[NH2+]C1)[C@@H](C)C(C)C 70897529 571739869 /nfs/dbraw/zinc/73/98/69/571739869.db2.gz HCZKJCXDMWXOOI-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]([C@H]1CC[NH2+]C1)[C@@H](C)C(C)C 70897529 571739874 /nfs/dbraw/zinc/73/98/74/571739874.db2.gz HCZKJCXDMWXOOI-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[N@H+]([C@@H](C)C1CC1)[C@@H]1CC[NH2+]C1 70901615 571740393 /nfs/dbraw/zinc/74/03/93/571740393.db2.gz GKIPULZYILINQD-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1CC[NH2+]C1 70901615 571740395 /nfs/dbraw/zinc/74/03/95/571740395.db2.gz GKIPULZYILINQD-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]([C@@H](C)CC)[C@H]1CC[NH2+]C1 70902019 571740458 /nfs/dbraw/zinc/74/04/58/571740458.db2.gz QWDZNICBDRFCDS-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+]([C@@H](C)CC)[C@H]1CC[NH2+]C1 70902019 571740459 /nfs/dbraw/zinc/74/04/59/571740459.db2.gz QWDZNICBDRFCDS-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+](CC)[C@H]1CC[NH2+]C1 70897573 571740644 /nfs/dbraw/zinc/74/06/44/571740644.db2.gz QOKCDTMFAMRFDM-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+](CC)[C@H]1CC[NH2+]C1 70897573 571740648 /nfs/dbraw/zinc/74/06/48/571740648.db2.gz QOKCDTMFAMRFDM-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP C/C=C/C[N@@H+](CC)[C@@H]1CC[NH2+]C1 70899679 571740778 /nfs/dbraw/zinc/74/07/78/571740778.db2.gz DHEHGILKDQZOBO-RXNUUUNCSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C/C[N@H+](CC)[C@@H]1CC[NH2+]C1 70899679 571740784 /nfs/dbraw/zinc/74/07/84/571740784.db2.gz DHEHGILKDQZOBO-RXNUUUNCSA-N 2 2 168.284 1.246 10 0 ADAELP CCC[N@@H+]([C@H]1CC[NH2+]C1)[C@@H](C)C1CC1 70901620 571740880 /nfs/dbraw/zinc/74/08/80/571740880.db2.gz GKIPULZYILINQD-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]([C@H]1CC[NH2+]C1)[C@@H](C)C1CC1 70901620 571740884 /nfs/dbraw/zinc/74/08/84/571740884.db2.gz GKIPULZYILINQD-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+](CCC(N)=[NH2+])CCC(F)(F)F 70913811 571741311 /nfs/dbraw/zinc/74/13/11/571741311.db2.gz OLKFIDGEUOOXFW-UHFFFAOYSA-N 2 2 197.204 1.197 10 0 ADAELP C[N@@H+](CCC(N)=[NH2+])CCC(F)(F)F 70913811 571741314 /nfs/dbraw/zinc/74/13/14/571741314.db2.gz OLKFIDGEUOOXFW-UHFFFAOYSA-N 2 2 197.204 1.197 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+](CC1CC1)C1CC1 70736615 571745051 /nfs/dbraw/zinc/74/50/51/571745051.db2.gz NITVUSSXQXZQSK-ZETCQYMHSA-N 2 2 181.283 1.185 10 0 ADAELP CC(C)(C)n1c[nH+]c(CCC[NH3+])c1 12650654 571742477 /nfs/dbraw/zinc/74/24/77/571742477.db2.gz OGPMDFBDYLZDAJ-UHFFFAOYSA-N 2 2 181.283 1.529 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+](CC1CC1)C1CC1 70736615 571745052 /nfs/dbraw/zinc/74/50/52/571745052.db2.gz NITVUSSXQXZQSK-ZETCQYMHSA-N 2 2 181.283 1.185 10 0 ADAELP CCC[N@H+](CC[NH3+])CCC(F)(F)F 70911866 571742755 /nfs/dbraw/zinc/74/27/55/571742755.db2.gz ZTSIPBKHRKCUJB-UHFFFAOYSA-N 2 2 198.232 1.610 10 0 ADAELP CCC[N@@H+](CC[NH3+])CCC(F)(F)F 70911866 571742762 /nfs/dbraw/zinc/74/27/62/571742762.db2.gz ZTSIPBKHRKCUJB-UHFFFAOYSA-N 2 2 198.232 1.610 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(F)(F)F 70913944 571743119 /nfs/dbraw/zinc/74/31/19/571743119.db2.gz DAZGBERWIJBPMV-ZETCQYMHSA-N 2 2 196.216 1.362 10 0 ADAELP 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MFUXHAFVFJVNEU-UHFFFAOYSA-N 2 2 193.294 1.828 10 0 ADAELP CCC[NH2+]CCCCc1c[nH]c[nH+]1 13685819 571749460 /nfs/dbraw/zinc/74/94/60/571749460.db2.gz HYPICKIQGZNVCT-UHFFFAOYSA-N 2 2 181.283 1.732 10 0 ADAELP CCC[NH2+]CCCCc1c[nH+]c[nH]1 13685819 571749464 /nfs/dbraw/zinc/74/94/64/571749464.db2.gz HYPICKIQGZNVCT-UHFFFAOYSA-N 2 2 181.283 1.732 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1C[C@@H]2CC=C[C@@H]21 34994837 571751251 /nfs/dbraw/zinc/75/12/51/571751251.db2.gz PKCOWEQWEBIIEB-GARJFASQSA-N 2 2 180.295 1.102 10 0 ADAELP Cc1ccccc1[C@H]([NH3+])[C@@H]1CCC[NH2+]1 141336468 571753094 /nfs/dbraw/zinc/75/30/94/571753094.db2.gz IQFRBZWKJZTYJI-RYUDHWBXSA-N 2 2 190.290 1.747 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 34994835 571752061 /nfs/dbraw/zinc/75/20/61/571752061.db2.gz PKCOWEQWEBIIEB-OUAUKWLOSA-N 2 2 180.295 1.102 10 0 ADAELP Cc1nc(C[NH2+][C@@H](C)CC[NH3+])cs1 220542413 571754561 /nfs/dbraw/zinc/75/45/61/571754561.db2.gz UNRASVXCPFNOQP-ZETCQYMHSA-N 2 2 199.323 1.278 10 0 ADAELP C[C@H](F)c1[nH+]cc(CCC[NH3+])n1C 214420531 571753738 /nfs/dbraw/zinc/75/37/38/571753738.db2.gz XMZZQDWSOYXARD-ZETCQYMHSA-N 2 2 185.246 1.342 10 0 ADAELP CC(C)(F)c1c[nH+]c(CCC[NH3+])[nH]1 214421506 571754304 /nfs/dbraw/zinc/75/43/04/571754304.db2.gz OWLYWSOVSJGYDH-UHFFFAOYSA-N 2 2 185.246 1.506 10 0 ADAELP CC(C)(F)c1c[nH]c(CCC[NH3+])[nH+]1 214421506 571754310 /nfs/dbraw/zinc/75/43/10/571754310.db2.gz OWLYWSOVSJGYDH-UHFFFAOYSA-N 2 2 185.246 1.506 10 0 ADAELP C[C@@H](F)c1c[nH+]c(CCC[NH3+])n1C 214420381 571754342 /nfs/dbraw/zinc/75/43/42/571754342.db2.gz KXUOPCWLLWTFBT-SSDOTTSWSA-N 2 2 185.246 1.342 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H]2CCC[NH2+]C2)C1 37246798 571754855 /nfs/dbraw/zinc/75/48/55/571754855.db2.gz ZODYRVVYEKVGQV-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CCC[NH2+]C2)C1 37246798 571754858 /nfs/dbraw/zinc/75/48/58/571754858.db2.gz ZODYRVVYEKVGQV-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@@H](C)Cc1[nH]c(CF)c(C)[nH+]1 214420804 571754945 /nfs/dbraw/zinc/75/49/45/571754945.db2.gz FMECLHPCHXOILG-LURJTMIESA-N 2 2 185.246 1.338 10 0 ADAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCC[NH2+]C2)C1 37246803 571755778 /nfs/dbraw/zinc/75/57/78/571755778.db2.gz ZODYRVVYEKVGQV-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H](F)c1c[nH+]c(CCC[NH3+])n1C 214420339 571755799 /nfs/dbraw/zinc/75/57/99/571755799.db2.gz KXUOPCWLLWTFBT-ZETCQYMHSA-N 2 2 185.246 1.342 10 0 ADAELP C[C@@H](F)c1[nH+]cc(CCC[NH3+])n1C 214420592 571755837 /nfs/dbraw/zinc/75/58/37/571755837.db2.gz XMZZQDWSOYXARD-SSDOTTSWSA-N 2 2 185.246 1.342 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 70797163 571757091 /nfs/dbraw/zinc/75/70/91/571757091.db2.gz JHMCKZOZISKHCF-GRYCIOLGSA-N 2 2 194.322 1.492 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 70797163 571757094 /nfs/dbraw/zinc/75/70/94/571757094.db2.gz JHMCKZOZISKHCF-GRYCIOLGSA-N 2 2 194.322 1.492 10 0 ADAELP CCC[N@@H+]1CC[C@@H]([NH2+]CC)C1 37241703 571757207 /nfs/dbraw/zinc/75/72/07/571757207.db2.gz ZPEHMJCVPIIMRD-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@@H+]1CC[C@H]([NH2+]CC)C1 37241701 571757196 /nfs/dbraw/zinc/75/71/96/571757196.db2.gz ZPEHMJCVPIIMRD-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@H+]1CC[C@H]([NH2+]CC)C1 37241701 571757201 /nfs/dbraw/zinc/75/72/01/571757201.db2.gz ZPEHMJCVPIIMRD-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@H+]1CC[C@@H]([NH2+]CC)C1 37241703 571757211 /nfs/dbraw/zinc/75/72/11/571757211.db2.gz ZPEHMJCVPIIMRD-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+](CC)C1 37241613 571757367 /nfs/dbraw/zinc/75/73/67/571757367.db2.gz VLEGRLOCDJMKDU-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+](CC)C1 37241613 571757371 /nfs/dbraw/zinc/75/73/71/571757371.db2.gz VLEGRLOCDJMKDU-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP C[C@@H]1SCC[C@@H]1[NH2+]CC[NH+](C)C 235307078 571758874 /nfs/dbraw/zinc/75/88/74/571758874.db2.gz HIZCUHJXPFPMAQ-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CC[NH2+][C@H](Cc1[nH+]ccn1C)C1CC1 71003789 571764874 /nfs/dbraw/zinc/76/48/74/571764874.db2.gz PGINQDGYUZSDQQ-SNVBAGLBSA-N 2 2 193.294 1.351 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)C1CC1 71003787 571765074 /nfs/dbraw/zinc/76/50/74/571765074.db2.gz PGINQDGYUZSDQQ-JTQLQIEISA-N 2 2 193.294 1.351 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]([NH2+]C)C1CC1 71004084 571765959 /nfs/dbraw/zinc/76/59/59/571765959.db2.gz XDUWOPMKVVOGIZ-SNVBAGLBSA-N 2 2 193.294 1.444 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]([NH3+])C1CC1 71004500 571765967 /nfs/dbraw/zinc/76/59/67/571765967.db2.gz IRNZWJGKQZIRRJ-SECBINFHSA-N 2 2 179.267 1.183 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH2+]C)C1CC1 71004082 571766085 /nfs/dbraw/zinc/76/60/85/571766085.db2.gz XDUWOPMKVVOGIZ-JTQLQIEISA-N 2 2 193.294 1.444 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH3+])C1CC1 71004496 571766228 /nfs/dbraw/zinc/76/62/28/571766228.db2.gz IRNZWJGKQZIRRJ-VIFPVBQESA-N 2 2 179.267 1.183 10 0 ADAELP C[N@@H+]1[C@H](C[NH3+])CC[C@H]1c1cccnc1 113252341 571767718 /nfs/dbraw/zinc/76/77/18/571767718.db2.gz DRQQKCGUYPHABR-QWRGUYRKSA-N 2 2 191.278 1.176 10 0 ADAELP C[N@H+]1[C@H](C[NH3+])CC[C@H]1c1cccnc1 113252341 571767719 /nfs/dbraw/zinc/76/77/19/571767719.db2.gz DRQQKCGUYPHABR-QWRGUYRKSA-N 2 2 191.278 1.176 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1c1c[nH]c[nH+]1 26502822 571769050 /nfs/dbraw/zinc/76/90/50/571769050.db2.gz VECWJXNXCMCBRR-SFYZADRCSA-N 2 2 165.240 1.265 10 0 ADAELP CC[C@H]1[NH2+]CC[C@@H]1c1c[nH]c[nH+]1 26500805 571769832 /nfs/dbraw/zinc/76/98/32/571769832.db2.gz JJFQHOLRCLDQSB-JGVFFNPUSA-N 2 2 165.240 1.265 10 0 ADAELP CC[N@H+](CC(N)=[NH2+])C1CCCC1 38681120 571770267 /nfs/dbraw/zinc/77/02/67/571770267.db2.gz MDXDCSFXDRIJSL-UHFFFAOYSA-N 2 2 169.272 1.187 10 0 ADAELP CC[N@@H+](CC(N)=[NH2+])C1CCCC1 38681120 571770271 /nfs/dbraw/zinc/77/02/71/571770271.db2.gz MDXDCSFXDRIJSL-UHFFFAOYSA-N 2 2 169.272 1.187 10 0 ADAELP C[N@H+]1[C@H](c2cccnc2)CC[C@@H]1C[NH3+] 113252340 571770921 /nfs/dbraw/zinc/77/09/21/571770921.db2.gz DRQQKCGUYPHABR-MNOVXSKESA-N 2 2 191.278 1.176 10 0 ADAELP C[N@@H+]1[C@H](c2cccnc2)CC[C@@H]1C[NH3+] 113252340 571770925 /nfs/dbraw/zinc/77/09/25/571770925.db2.gz DRQQKCGUYPHABR-MNOVXSKESA-N 2 2 191.278 1.176 10 0 ADAELP CCC[NH+](CCC)CC(N)=[NH2+] 38935635 571774008 /nfs/dbraw/zinc/77/40/08/571774008.db2.gz PILDLAFWGLNGOQ-UHFFFAOYSA-N 2 2 157.261 1.044 10 0 ADAELP C[NH2+]CCOCc1c[nH+]cn1C(C)C 234352202 571775854 /nfs/dbraw/zinc/77/58/54/571775854.db2.gz YLYFUZZSUMRIAX-UHFFFAOYSA-N 2 2 197.282 1.200 10 0 ADAELP CCn1c[nH+]c(C2=CC[C@H]([NH3+])CC2)c1 687800351 571777623 /nfs/dbraw/zinc/77/76/23/571777623.db2.gz TWQJVOLMFXODMP-JTQLQIEISA-N 2 2 191.278 1.798 10 0 ADAELP CCn1c[nH+]c(C2=CC[C@@H]([NH3+])CC2)c1 687800352 571778171 /nfs/dbraw/zinc/77/81/71/571778171.db2.gz TWQJVOLMFXODMP-SNVBAGLBSA-N 2 2 191.278 1.798 10 0 ADAELP CC[N@H+]1CC[C@@H]1CNC1=[NH+]CCCC1 712533084 571780530 /nfs/dbraw/zinc/78/05/30/571780530.db2.gz YTOGUBGZAPCHEI-SNVBAGLBSA-N 2 2 195.310 1.253 10 0 ADAELP C[C@]([NH3+])(C[NH+]1CCCCCC1)C1CC1 37479147 571779313 /nfs/dbraw/zinc/77/93/13/571779313.db2.gz KXNBFSFBVWDDCQ-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+][C@H](C)CC(F)(F)F 234436867 571779654 /nfs/dbraw/zinc/77/96/54/571779654.db2.gz MAPATCLJYAKKAC-RQJHMYQMSA-N 2 2 198.232 1.525 10 0 ADAELP CC[N@@H+]1CC[C@H]1CNC1=[NH+]CCCC1 712533076 571779855 /nfs/dbraw/zinc/77/98/55/571779855.db2.gz YTOGUBGZAPCHEI-JTQLQIEISA-N 2 2 195.310 1.253 10 0 ADAELP CC[N@H+]1CC[C@H]1CNC1=[NH+]CCCC1 712533076 571779859 /nfs/dbraw/zinc/77/98/59/571779859.db2.gz YTOGUBGZAPCHEI-JTQLQIEISA-N 2 2 195.310 1.253 10 0 ADAELP CC[N@@H+]1CC[C@@H]1CNC1=[NH+]CCCC1 712533084 571780526 /nfs/dbraw/zinc/78/05/26/571780526.db2.gz YTOGUBGZAPCHEI-SNVBAGLBSA-N 2 2 195.310 1.253 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+][C@@H](C)CC(F)(F)F 234436638 571780631 /nfs/dbraw/zinc/78/06/31/571780631.db2.gz MAPATCLJYAKKAC-BQBZGAKWSA-N 2 2 198.232 1.525 10 0 ADAELP C[C@@]([NH3+])(C[NH+]1CCCCCC1)C1CC1 37479146 571780718 /nfs/dbraw/zinc/78/07/18/571780718.db2.gz KXNBFSFBVWDDCQ-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP CC[C@@H]([NH2+]C)[C@@H]1CSCC[N@@H+]1C 233892467 571781658 /nfs/dbraw/zinc/78/16/58/571781658.db2.gz YMWCBEXAPRCVAV-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@@H]([NH2+]C)[C@@H]1CSCC[N@H+]1C 233892467 571781663 /nfs/dbraw/zinc/78/16/63/571781663.db2.gz YMWCBEXAPRCVAV-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@H+](C)C1CC(C(C)C)C1 234358509 571782512 /nfs/dbraw/zinc/78/25/12/571782512.db2.gz XHYBRRRUOOOIIB-UHFFFAOYSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+]CC[N@@H+](C)C1CC(C(C)C)C1 234358509 571782515 /nfs/dbraw/zinc/78/25/15/571782515.db2.gz XHYBRRRUOOOIIB-UHFFFAOYSA-N 2 2 184.327 1.572 10 0 ADAELP CC[C@@H]([NH2+]C)[C@H]1CSCC[N@@H+]1C 233894407 571783407 /nfs/dbraw/zinc/78/34/07/571783407.db2.gz YMWCBEXAPRCVAV-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CCC2(CC2)C1 400010255 571785844 /nfs/dbraw/zinc/78/58/44/571785844.db2.gz VJMKKEFYDODEEX-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H](C1CC1)[N@H+](C)[C@H]1CCC[NH2+]C1 251403197 571785845 /nfs/dbraw/zinc/78/58/45/571785845.db2.gz ZLDYFKUKOBDYPW-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CCC2(CC2)C1 400010255 571785846 /nfs/dbraw/zinc/78/58/46/571785846.db2.gz VJMKKEFYDODEEX-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+](C)[C@H]1CCC[NH2+]C1 251403197 571785848 /nfs/dbraw/zinc/78/58/48/571785848.db2.gz ZLDYFKUKOBDYPW-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+]C)[C@H]1CSCC[N@H+]1C 233894407 571783410 /nfs/dbraw/zinc/78/34/10/571783410.db2.gz YMWCBEXAPRCVAV-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@H]1C[C@H]1n1c[nH+]cc1C1C[NH2+]C1 234156654 571785425 /nfs/dbraw/zinc/78/54/25/571785425.db2.gz XFYIXYREWBNWJZ-WCBMZHEXSA-N 2 2 191.278 1.541 10 0 ADAELP CCCC[NH+](CCCC)CC(N)=[NH2+] 39185627 571787585 /nfs/dbraw/zinc/78/75/85/571787585.db2.gz XIGFWDXYRLTPEE-UHFFFAOYSA-N 2 2 185.315 1.825 10 0 ADAELP CC[C@H]1C[C@@H]1n1c[nH+]cc1C1C[NH2+]C1 234171291 571787112 /nfs/dbraw/zinc/78/71/12/571787112.db2.gz XFYIXYREWBNWJZ-WPRPVWTQSA-N 2 2 191.278 1.541 10 0 ADAELP CC[C@H](C1CC1)[N@H+](C)[C@H]1CCC[NH2+]C1 251403195 571787248 /nfs/dbraw/zinc/78/72/48/571787248.db2.gz ZLDYFKUKOBDYPW-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@@H+](C)[C@H]1CCC[NH2+]C1 251403195 571787251 /nfs/dbraw/zinc/78/72/51/571787251.db2.gz ZLDYFKUKOBDYPW-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]CC[N@H+](C)C[C@@H]1CC1(C)C 234361855 571787563 /nfs/dbraw/zinc/78/75/63/571787563.db2.gz AHXXCJGGHLFQLT-VIFPVBQESA-N 2 2 170.300 1.184 10 0 ADAELP C[NH2+]CC[N@@H+](C)C[C@@H]1CC1(C)C 234361855 571787565 /nfs/dbraw/zinc/78/75/65/571787565.db2.gz AHXXCJGGHLFQLT-VIFPVBQESA-N 2 2 170.300 1.184 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[C@H](C)[NH2+]C1 234182069 571790214 /nfs/dbraw/zinc/79/02/14/571790214.db2.gz YRPVURFWAMABDJ-UWVGGRQHSA-N 2 2 193.294 1.759 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H](C)[C@H](C)[NH2+]C 249984945 571790349 /nfs/dbraw/zinc/79/03/49/571790349.db2.gz SASIZWZVUDNWIM-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H](C)[C@H](C)[NH2+]C 249984945 571790351 /nfs/dbraw/zinc/79/03/51/571790351.db2.gz SASIZWZVUDNWIM-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP C[NH2+]C[C@@H](C)[NH2+]Cc1ccnc(C)c1 234364082 571790808 /nfs/dbraw/zinc/79/08/08/571790808.db2.gz JXKXFJXTVXVOTG-SNVBAGLBSA-N 2 2 193.294 1.088 10 0 ADAELP C[NH2+]CC[N@H+](C)C[C@H]1CC1(C)C 234362392 571790856 /nfs/dbraw/zinc/79/08/56/571790856.db2.gz AHXXCJGGHLFQLT-SECBINFHSA-N 2 2 170.300 1.184 10 0 ADAELP C[NH2+]CC[N@@H+](C)C[C@H]1CC1(C)C 234362392 571790857 /nfs/dbraw/zinc/79/08/57/571790857.db2.gz AHXXCJGGHLFQLT-SECBINFHSA-N 2 2 170.300 1.184 10 0 ADAELP CCn1cc[nH+]c1[C@H]1C[NH2+]C[C@@H](C)C1 234182248 571791728 /nfs/dbraw/zinc/79/17/28/571791728.db2.gz DXRXRPVVWZZJDN-VHSXEESVSA-N 2 2 193.294 1.616 10 0 ADAELP Cc1ccc(C[C@@H]([NH3+])C[NH+](C)C)cc1 71506220 571791693 /nfs/dbraw/zinc/79/16/93/571791693.db2.gz MQULKVLMQQVMAF-GFCCVEGCSA-N 2 2 192.306 1.426 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CCC[C@H]1[NH3+] 249957343 571791953 /nfs/dbraw/zinc/79/19/53/571791953.db2.gz JDHBYIMULQXGHL-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CCC[C@H]1[NH3+] 249957343 571791955 /nfs/dbraw/zinc/79/19/55/571791955.db2.gz JDHBYIMULQXGHL-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@@H]1CCS[C@@H]1C 234369363 571792347 /nfs/dbraw/zinc/79/23/47/571792347.db2.gz DHDADWAPTWCHBA-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCS[C@@H]1C 234369363 571792348 /nfs/dbraw/zinc/79/23/48/571792348.db2.gz DHDADWAPTWCHBA-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[N@H+](C)[C@@H](c1cccnc1)[C@H](C)[NH3+] 249899295 571792370 /nfs/dbraw/zinc/79/23/70/571792370.db2.gz FYYGRDUZKXIBPS-GXSJLCMTSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@@H](c1cccnc1)[C@H](C)[NH3+] 249899295 571792375 /nfs/dbraw/zinc/79/23/75/571792375.db2.gz FYYGRDUZKXIBPS-GXSJLCMTSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H]1CCC[C@H]1[NH3+] 249956381 571792455 /nfs/dbraw/zinc/79/24/55/571792455.db2.gz LMIFBUOUTKZJMV-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H]1CCC[C@H]1[NH3+] 249956381 571792461 /nfs/dbraw/zinc/79/24/61/571792461.db2.gz LMIFBUOUTKZJMV-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1ccc(C[C@H]([NH3+])C[NH+](C)C)cc1 71506219 571792522 /nfs/dbraw/zinc/79/25/22/571792522.db2.gz MQULKVLMQQVMAF-LBPRGKRZSA-N 2 2 192.306 1.426 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@H](C)[C@H](C)[NH3+] 249851871 571792583 /nfs/dbraw/zinc/79/25/83/571792583.db2.gz AYUYUBDOKMBCRW-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C1CCCC1)[C@H](C)[C@H](C)[NH3+] 249851871 571792586 /nfs/dbraw/zinc/79/25/86/571792586.db2.gz AYUYUBDOKMBCRW-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1CCC[C@H]1[NH2+]C 249888444 571792597 /nfs/dbraw/zinc/79/25/97/571792597.db2.gz CVAQSABPJCTNGW-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1CCC[C@H]1[NH2+]C 249888444 571792598 /nfs/dbraw/zinc/79/25/98/571792598.db2.gz CVAQSABPJCTNGW-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[C@@H](C)[NH2+]C1 234181909 571792602 /nfs/dbraw/zinc/79/26/02/571792602.db2.gz YRPVURFWAMABDJ-ZJUUUORDSA-N 2 2 193.294 1.759 10 0 ADAELP CCC[N@H+](CC1CC1)[C@H](C)[C@H](C)[NH3+] 249869737 571792608 /nfs/dbraw/zinc/79/26/08/571792608.db2.gz CHWAPPBEFKTTNP-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[N@@H+](CC1CC1)[C@H](C)[C@H](C)[NH3+] 249869737 571792611 /nfs/dbraw/zinc/79/26/11/571792611.db2.gz CHWAPPBEFKTTNP-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP CCCC[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] 249818278 571792688 /nfs/dbraw/zinc/79/26/88/571792688.db2.gz SLONKFSLSSMQHM-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] 249818278 571792690 /nfs/dbraw/zinc/79/26/90/571792690.db2.gz SLONKFSLSSMQHM-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP Cc1cccc(C[C@@H]([NH3+])C[NH+](C)C)c1 71506218 571792693 /nfs/dbraw/zinc/79/26/93/571792693.db2.gz DSHQKZJRONKEAF-GFCCVEGCSA-N 2 2 192.306 1.426 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[NH2+][C@H](C)C1 234181742 571792818 /nfs/dbraw/zinc/79/28/18/571792818.db2.gz NKUVFUBMZZNOET-ZJUUUORDSA-N 2 2 193.294 1.759 10 0 ADAELP Cc1cccc(C[C@H]([NH3+])C[NH+](C)C)c1 71506217 571793034 /nfs/dbraw/zinc/79/30/34/571793034.db2.gz DSHQKZJRONKEAF-LBPRGKRZSA-N 2 2 192.306 1.426 10 0 ADAELP CC[N@H+](C)[C@H](c1ccco1)[C@H](C)[NH3+] 249885497 571793323 /nfs/dbraw/zinc/79/33/23/571793323.db2.gz BZADBMIMWNSBCF-WPRPVWTQSA-N 2 2 182.267 1.620 10 0 ADAELP CC[N@@H+](C)[C@H](c1ccco1)[C@H](C)[NH3+] 249885497 571793325 /nfs/dbraw/zinc/79/33/25/571793325.db2.gz BZADBMIMWNSBCF-WPRPVWTQSA-N 2 2 182.267 1.620 10 0 ADAELP CCC[N@H+](CC1CC1)[C@@H](C)[C@H](C)[NH3+] 249869734 571793604 /nfs/dbraw/zinc/79/36/04/571793604.db2.gz CHWAPPBEFKTTNP-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[N@@H+](CC1CC1)[C@@H](C)[C@H](C)[NH3+] 249869734 571793607 /nfs/dbraw/zinc/79/36/07/571793607.db2.gz CHWAPPBEFKTTNP-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C 19862039 571793951 /nfs/dbraw/zinc/79/39/51/571793951.db2.gz FILQOKVXSBWSQP-GFCCVEGCSA-N 2 2 192.306 1.817 10 0 ADAELP C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C 19862042 571794227 /nfs/dbraw/zinc/79/42/27/571794227.db2.gz FILQOKVXSBWSQP-LBPRGKRZSA-N 2 2 192.306 1.817 10 0 ADAELP CCCC[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 249786465 571794229 /nfs/dbraw/zinc/79/42/29/571794229.db2.gz HUOLCWGCAZIYMC-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP CCCC[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 249786465 571794233 /nfs/dbraw/zinc/79/42/33/571794233.db2.gz HUOLCWGCAZIYMC-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1CCC[C@H]1[NH2+]C 249888440 571794458 /nfs/dbraw/zinc/79/44/58/571794458.db2.gz CVAQSABPJCTNGW-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1CCC[C@H]1[NH2+]C 249888440 571794461 /nfs/dbraw/zinc/79/44/61/571794461.db2.gz CVAQSABPJCTNGW-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP CCCC[N@H+](CC)[C@@H]1CCC[C@H]1[NH3+] 249858542 571794523 /nfs/dbraw/zinc/79/45/23/571794523.db2.gz VCHWQWUBIBSQJA-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@@H+](CC)[C@@H]1CCC[C@H]1[NH3+] 249858542 571794530 /nfs/dbraw/zinc/79/45/30/571794530.db2.gz VCHWQWUBIBSQJA-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC[N@H+](CC(C)C)[C@H]1CCC[C@H]1[NH3+] 249956383 571794185 /nfs/dbraw/zinc/79/41/85/571794185.db2.gz LMIFBUOUTKZJMV-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](CC(C)C)[C@H]1CCC[C@H]1[NH3+] 249956383 571794189 /nfs/dbraw/zinc/79/41/89/571794189.db2.gz LMIFBUOUTKZJMV-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@H+](CC(C)C)[C@H](C)[C@H](C)[NH3+] 249968396 571794715 /nfs/dbraw/zinc/79/47/15/571794715.db2.gz ODUQMORZJTUIDX-VHSXEESVSA-N 2 2 172.316 1.700 10 0 ADAELP CC[N@@H+](CC(C)C)[C@H](C)[C@H](C)[NH3+] 249968396 571794719 /nfs/dbraw/zinc/79/47/19/571794719.db2.gz ODUQMORZJTUIDX-VHSXEESVSA-N 2 2 172.316 1.700 10 0 ADAELP CCCC[N@H+](CC)[C@H]1CCC[C@H]1[NH3+] 249858547 571794889 /nfs/dbraw/zinc/79/48/89/571794889.db2.gz VCHWQWUBIBSQJA-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@@H+](CC)[C@H]1CCC[C@H]1[NH3+] 249858547 571794892 /nfs/dbraw/zinc/79/48/92/571794892.db2.gz VCHWQWUBIBSQJA-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@H+](CC1CC1)[C@H]1CCC[C@H]1[NH3+] 249943956 571794924 /nfs/dbraw/zinc/79/49/24/571794924.db2.gz HGHHKUJSNQCUTI-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP CCC[N@@H+](CC1CC1)[C@H]1CCC[C@H]1[NH3+] 249943956 571794927 /nfs/dbraw/zinc/79/49/27/571794927.db2.gz HGHHKUJSNQCUTI-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP CCC[N@H+](CC1CC1)[C@@H]1CCC[C@H]1[NH3+] 249943964 571795307 /nfs/dbraw/zinc/79/53/07/571795307.db2.gz HGHHKUJSNQCUTI-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CCC[N@@H+](CC1CC1)[C@@H]1CCC[C@H]1[NH3+] 249943964 571795308 /nfs/dbraw/zinc/79/53/08/571795308.db2.gz HGHHKUJSNQCUTI-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+](C)[C@H](c1cccnc1)[C@H](C)[NH3+] 249899298 571795442 /nfs/dbraw/zinc/79/54/42/571795442.db2.gz FYYGRDUZKXIBPS-ONGXEEELSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@H](c1cccnc1)[C@H](C)[NH3+] 249899298 571795444 /nfs/dbraw/zinc/79/54/44/571795444.db2.gz FYYGRDUZKXIBPS-ONGXEEELSA-N 2 2 193.294 1.422 10 0 ADAELP CCCC[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 249786463 571795566 /nfs/dbraw/zinc/79/55/66/571795566.db2.gz HUOLCWGCAZIYMC-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP CCCC[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 249786463 571795572 /nfs/dbraw/zinc/79/55/72/571795572.db2.gz HUOLCWGCAZIYMC-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP CCCC[N@H+](CC)[C@H](C)[C@H](C)[NH3+] 249858994 571795707 /nfs/dbraw/zinc/79/57/07/571795707.db2.gz VCTXHEIJUCFQKU-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CCCC[N@@H+](CC)[C@H](C)[C@H](C)[NH3+] 249858994 571795711 /nfs/dbraw/zinc/79/57/11/571795711.db2.gz VCTXHEIJUCFQKU-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP COc1c[nH+]cc(CC[C@H](C)[NH3+])c1C 687651273 571795741 /nfs/dbraw/zinc/79/57/41/571795741.db2.gz TUAJRNBSSRBDCM-QMMMGPOBSA-N 2 2 194.278 1.678 10 0 ADAELP CC[N@H+](C)[C@@H](c1ccco1)[C@H](C)[NH3+] 249885496 571795798 /nfs/dbraw/zinc/79/57/98/571795798.db2.gz BZADBMIMWNSBCF-WCBMZHEXSA-N 2 2 182.267 1.620 10 0 ADAELP CC[N@@H+](C)[C@@H](c1ccco1)[C@H](C)[NH3+] 249885496 571795802 /nfs/dbraw/zinc/79/58/02/571795802.db2.gz BZADBMIMWNSBCF-WCBMZHEXSA-N 2 2 182.267 1.620 10 0 ADAELP COc1c[nH+]cc(CC[C@@H](C)[NH3+])c1C 687651272 571795921 /nfs/dbraw/zinc/79/59/21/571795921.db2.gz TUAJRNBSSRBDCM-MRVPVSSYSA-N 2 2 194.278 1.678 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CCC[C@H]1[NH2+]C 249879521 571795928 /nfs/dbraw/zinc/79/59/28/571795928.db2.gz FKTFZWQVPHOIGN-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CCC[C@H]1[NH2+]C 249879521 571795931 /nfs/dbraw/zinc/79/59/31/571795931.db2.gz FKTFZWQVPHOIGN-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](CC)[C@H]1CCC[C@H]1[NH2+]C 249879523 571795977 /nfs/dbraw/zinc/79/59/77/571795977.db2.gz FKTFZWQVPHOIGN-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CCC[C@H]1[NH2+]C 249879523 571795979 /nfs/dbraw/zinc/79/59/79/571795979.db2.gz FKTFZWQVPHOIGN-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](CC)[C@H]1CCC[C@H]1[NH3+] 249957347 571796026 /nfs/dbraw/zinc/79/60/26/571796026.db2.gz JDHBYIMULQXGHL-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CCC[C@H]1[NH3+] 249957347 571796029 /nfs/dbraw/zinc/79/60/29/571796029.db2.gz JDHBYIMULQXGHL-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCCC[C@H]1[NH2+]C 249739526 571796329 /nfs/dbraw/zinc/79/63/29/571796329.db2.gz DQMBQFUQOYXDCW-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH2+]C 249739526 571796333 /nfs/dbraw/zinc/79/63/33/571796333.db2.gz DQMBQFUQOYXDCW-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+](C)[C@@H](c1ccncc1)[C@H](C)[NH3+] 249887303 571796882 /nfs/dbraw/zinc/79/68/82/571796882.db2.gz CLJNFMNYYQJYLE-GXSJLCMTSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@@H](c1ccncc1)[C@H](C)[NH3+] 249887303 571796885 /nfs/dbraw/zinc/79/68/85/571796885.db2.gz CLJNFMNYYQJYLE-GXSJLCMTSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@H](c1ccncc1)[C@H](C)[NH3+] 249887305 571797102 /nfs/dbraw/zinc/79/71/02/571797102.db2.gz CLJNFMNYYQJYLE-ONGXEEELSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@H](c1ccncc1)[C@H](C)[NH3+] 249887305 571797109 /nfs/dbraw/zinc/79/71/09/571797109.db2.gz CLJNFMNYYQJYLE-ONGXEEELSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@H](c1ccc(C)o1)[C@H](C)[NH3+] 249885441 571797184 /nfs/dbraw/zinc/79/71/84/571797184.db2.gz BXHMXLIHETXIHH-ONGXEEELSA-N 2 2 196.294 1.928 10 0 ADAELP CC[N@@H+](C)[C@H](c1ccc(C)o1)[C@H](C)[NH3+] 249885441 571797187 /nfs/dbraw/zinc/79/71/87/571797187.db2.gz BXHMXLIHETXIHH-ONGXEEELSA-N 2 2 196.294 1.928 10 0 ADAELP CC[N@H+](C)[C@@H](c1ccc(C)o1)[C@H](C)[NH3+] 249885438 571797328 /nfs/dbraw/zinc/79/73/28/571797328.db2.gz BXHMXLIHETXIHH-GXSJLCMTSA-N 2 2 196.294 1.928 10 0 ADAELP CC[N@@H+](C)[C@@H](c1ccc(C)o1)[C@H](C)[NH3+] 249885438 571797330 /nfs/dbraw/zinc/79/73/30/571797330.db2.gz BXHMXLIHETXIHH-GXSJLCMTSA-N 2 2 196.294 1.928 10 0 ADAELP CCCC[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 249818271 571797346 /nfs/dbraw/zinc/79/73/46/571797346.db2.gz SLONKFSLSSMQHM-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 249818271 571797348 /nfs/dbraw/zinc/79/73/48/571797348.db2.gz SLONKFSLSSMQHM-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP Cc1cc(C[NH3+])ccc1-n1cc[nH+]c1 37733291 571797764 /nfs/dbraw/zinc/79/77/64/571797764.db2.gz XSIVTYNGSCHRIW-UHFFFAOYSA-N 2 2 187.246 1.639 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@@H]1CCC[C@H]1[NH3+] 250594595 571797951 /nfs/dbraw/zinc/79/79/51/571797951.db2.gz MVEUFVOESFTXTF-VXGBXAGGSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@@H]1CCC[C@H]1[NH3+] 250594595 571797954 /nfs/dbraw/zinc/79/79/54/571797954.db2.gz MVEUFVOESFTXTF-VXGBXAGGSA-N 2 2 196.338 1.987 10 0 ADAELP C[NH+](C)CC[NH2+]CCC1CCCC1 37741332 571798066 /nfs/dbraw/zinc/79/80/66/571798066.db2.gz SSDUDBHBWBTIAM-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@H]1CCC[C@H]1[NH3+] 250594593 571798185 /nfs/dbraw/zinc/79/81/85/571798185.db2.gz MVEUFVOESFTXTF-NEPJUHHUSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@H]1CCC[C@H]1[NH3+] 250594593 571798189 /nfs/dbraw/zinc/79/81/89/571798189.db2.gz MVEUFVOESFTXTF-NEPJUHHUSA-N 2 2 196.338 1.987 10 0 ADAELP CCC[C@H]([NH3+])C[N@H+](C)[C@H](C)COC 251105151 571798214 /nfs/dbraw/zinc/79/82/14/571798214.db2.gz FIWUHSYBIGBGBH-ZJUUUORDSA-N 2 2 188.315 1.081 10 0 ADAELP CCC[C@H]([NH3+])C[N@@H+](C)[C@H](C)COC 251105151 571798217 /nfs/dbraw/zinc/79/82/17/571798217.db2.gz FIWUHSYBIGBGBH-ZJUUUORDSA-N 2 2 188.315 1.081 10 0 ADAELP CC(C)[N@H+](CC1CC1)[C@H]1CCC[C@H]1[NH3+] 250537233 571798817 /nfs/dbraw/zinc/79/88/17/571798817.db2.gz ZHDXVUXVGNRTCL-NEPJUHHUSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[N@@H+](CC1CC1)[C@H]1CCC[C@H]1[NH3+] 250537233 571798819 /nfs/dbraw/zinc/79/88/19/571798819.db2.gz ZHDXVUXVGNRTCL-NEPJUHHUSA-N 2 2 196.338 1.987 10 0 ADAELP C[NH2+]CCCc1c[nH+]cc(OC)c1C 687651460 571798970 /nfs/dbraw/zinc/79/89/70/571798970.db2.gz XCABIIQUFQFSEZ-UHFFFAOYSA-N 2 2 194.278 1.551 10 0 ADAELP COc1c[nH+]cc(C[C@@H](C)C[NH3+])c1C 687651414 571799414 /nfs/dbraw/zinc/79/94/14/571799414.db2.gz VJGIKFCOJZAZRA-MRVPVSSYSA-N 2 2 194.278 1.536 10 0 ADAELP CCC[C@@H]([NH3+])C[N@H+](C)[C@H](C)COC 251105149 571799415 /nfs/dbraw/zinc/79/94/15/571799415.db2.gz FIWUHSYBIGBGBH-NXEZZACHSA-N 2 2 188.315 1.081 10 0 ADAELP CCC[C@@H]([NH3+])C[N@@H+](C)[C@H](C)COC 251105149 571799418 /nfs/dbraw/zinc/79/94/18/571799418.db2.gz FIWUHSYBIGBGBH-NXEZZACHSA-N 2 2 188.315 1.081 10 0 ADAELP COc1c[nH+]cc(C[C@H](C)C[NH3+])c1C 687651415 571799433 /nfs/dbraw/zinc/79/94/33/571799433.db2.gz VJGIKFCOJZAZRA-QMMMGPOBSA-N 2 2 194.278 1.536 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2C)C1 250719335 571799824 /nfs/dbraw/zinc/79/98/24/571799824.db2.gz AKZALZSEGGSVGO-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)C1 250719335 571799826 /nfs/dbraw/zinc/79/98/26/571799826.db2.gz AKZALZSEGGSVGO-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)CC[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 250601181 571800066 /nfs/dbraw/zinc/80/00/66/571800066.db2.gz RNHAYIZCQUDMKY-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 250601181 571800067 /nfs/dbraw/zinc/80/00/67/571800067.db2.gz RNHAYIZCQUDMKY-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 250601182 571800092 /nfs/dbraw/zinc/80/00/92/571800092.db2.gz RNHAYIZCQUDMKY-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 250601182 571800094 /nfs/dbraw/zinc/80/00/94/571800094.db2.gz RNHAYIZCQUDMKY-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH2+]C[C@H](C)[N@H+](C)[C@H](C)C(C)C 250610814 571800318 /nfs/dbraw/zinc/80/03/18/571800318.db2.gz HIJKTMVKGMNKSN-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CC[NH2+]C[C@H](C)[N@@H+](C)[C@H](C)C(C)C 250610814 571800320 /nfs/dbraw/zinc/80/03/20/571800320.db2.gz HIJKTMVKGMNKSN-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@@H](C)[C@H](C)[NH3+] 250590611 571800592 /nfs/dbraw/zinc/80/05/92/571800592.db2.gz KNBUNNXPMDDAEH-UWVGGRQHSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@@H](C)[C@H](C)[NH3+] 250590611 571800597 /nfs/dbraw/zinc/80/05/97/571800597.db2.gz KNBUNNXPMDDAEH-UWVGGRQHSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+](C)[C@H](C)C1CC1 251087635 571800629 /nfs/dbraw/zinc/80/06/29/571800629.db2.gz NRHCMVHNUKBKIM-KOLCDFICSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+](C)[C@H](C)C1CC1 251087635 571800631 /nfs/dbraw/zinc/80/06/31/571800631.db2.gz NRHCMVHNUKBKIM-KOLCDFICSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[N@H+](CC1CC1)[C@@H]1CCC[C@H]1[NH3+] 250537238 571801064 /nfs/dbraw/zinc/80/10/64/571801064.db2.gz ZHDXVUXVGNRTCL-VXGBXAGGSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[N@@H+](CC1CC1)[C@@H]1CCC[C@H]1[NH3+] 250537238 571801067 /nfs/dbraw/zinc/80/10/67/571801067.db2.gz ZHDXVUXVGNRTCL-VXGBXAGGSA-N 2 2 196.338 1.987 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]C(C)(C)C)C1 73651976 571801134 /nfs/dbraw/zinc/80/11/34/571801134.db2.gz GCJHNKBIDVYCSI-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]C(C)(C)C)C1 73651976 571801137 /nfs/dbraw/zinc/80/11/37/571801137.db2.gz GCJHNKBIDVYCSI-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+](C)[C@H](C)C1CC1 251087638 571801334 /nfs/dbraw/zinc/80/13/34/571801334.db2.gz NRHCMVHNUKBKIM-MWLCHTKSSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+](C)[C@H](C)C1CC1 251087638 571801335 /nfs/dbraw/zinc/80/13/35/571801335.db2.gz NRHCMVHNUKBKIM-MWLCHTKSSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@H]2C[C@H]2C)C1 250719337 571801426 /nfs/dbraw/zinc/80/14/26/571801426.db2.gz AKZALZSEGGSVGO-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@H]2C[C@H]2C)C1 250719337 571801429 /nfs/dbraw/zinc/80/14/29/571801429.db2.gz AKZALZSEGGSVGO-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@H](C)[C@H](C)[NH3+] 250590613 571801628 /nfs/dbraw/zinc/80/16/28/571801628.db2.gz KNBUNNXPMDDAEH-VHSXEESVSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@H](C)[C@H](C)[NH3+] 250590613 571801630 /nfs/dbraw/zinc/80/16/30/571801630.db2.gz KNBUNNXPMDDAEH-VHSXEESVSA-N 2 2 184.327 1.843 10 0 ADAELP CC[NH2+]C[C@@H](C)[N@H+](C)[C@H](C)C(C)C 250610812 571801719 /nfs/dbraw/zinc/80/17/19/571801719.db2.gz HIJKTMVKGMNKSN-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[NH2+]C[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 250610812 571801720 /nfs/dbraw/zinc/80/17/20/571801720.db2.gz HIJKTMVKGMNKSN-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+](C)[C@H](C)C(C)C 251050561 571802317 /nfs/dbraw/zinc/80/23/17/571802317.db2.gz GAFOUMSUPDXLFW-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+](C)[C@H](C)C(C)C 251050561 571802321 /nfs/dbraw/zinc/80/23/21/571802321.db2.gz GAFOUMSUPDXLFW-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP COC(C)(C)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 301023660 571802404 /nfs/dbraw/zinc/80/24/04/571802404.db2.gz QXAOITLHYXDVAW-QMMMGPOBSA-N 2 2 197.282 1.313 10 0 ADAELP COC(C)(C)[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 301023659 571802538 /nfs/dbraw/zinc/80/25/38/571802538.db2.gz QXAOITLHYXDVAW-MRVPVSSYSA-N 2 2 197.282 1.313 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 250892247 571802659 /nfs/dbraw/zinc/80/26/59/571802659.db2.gz WUHAYGYUAYTZTL-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+]([C@H]2CC2(C)C)C1 250892247 571802661 /nfs/dbraw/zinc/80/26/61/571802661.db2.gz WUHAYGYUAYTZTL-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+]1CCCC[C@H]1C 251122646 571803103 /nfs/dbraw/zinc/80/31/03/571803103.db2.gz WNXVMPUPSKALNP-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+]1CCCC[C@H]1C 251122646 571803106 /nfs/dbraw/zinc/80/31/06/571803106.db2.gz WNXVMPUPSKALNP-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+](C)[C@H]1CCSC1 251138132 571803203 /nfs/dbraw/zinc/80/32/03/571803203.db2.gz VVXDYEPEMZZBSQ-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+](C)[C@H]1CCSC1 251138132 571803206 /nfs/dbraw/zinc/80/32/06/571803206.db2.gz VVXDYEPEMZZBSQ-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@@H](C[N@H+](C)[C@H](C)C(C)C)[NH2+]C 251058887 571803655 /nfs/dbraw/zinc/80/36/55/571803655.db2.gz HLWAWMORMYTGOC-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H](C[N@@H+](C)[C@H](C)C(C)C)[NH2+]C 251058887 571803658 /nfs/dbraw/zinc/80/36/58/571803658.db2.gz HLWAWMORMYTGOC-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC(C)(C)[NH2+]CC[N@@H+]1CCC2(CC2)C1 400015805 571803935 /nfs/dbraw/zinc/80/39/35/571803935.db2.gz YZAXKICWVMSYLJ-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)(C)[NH2+]CC[N@H+]1CCC2(CC2)C1 400015805 571803943 /nfs/dbraw/zinc/80/39/43/571803943.db2.gz YZAXKICWVMSYLJ-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+](C)[C@H](C)C(C)C 251050564 571804093 /nfs/dbraw/zinc/80/40/93/571804093.db2.gz GAFOUMSUPDXLFW-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+](C)[C@H](C)C(C)C 251050564 571804098 /nfs/dbraw/zinc/80/40/98/571804098.db2.gz GAFOUMSUPDXLFW-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 250892244 571804229 /nfs/dbraw/zinc/80/42/29/571804229.db2.gz WUHAYGYUAYTZTL-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@H]2CC2(C)C)C1 250892244 571804232 /nfs/dbraw/zinc/80/42/32/571804232.db2.gz WUHAYGYUAYTZTL-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C[N@H+](C)[C@H](C)C(C)C)[NH2+]C 251058884 571804909 /nfs/dbraw/zinc/80/49/09/571804909.db2.gz HLWAWMORMYTGOC-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C[N@@H+](C)[C@H](C)C(C)C)[NH2+]C 251058884 571804912 /nfs/dbraw/zinc/80/49/12/571804912.db2.gz HLWAWMORMYTGOC-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP C[NH+](C)C(C)(C)[C@@H]([NH3+])Cc1ccco1 74241341 571808856 /nfs/dbraw/zinc/80/88/56/571808856.db2.gz HQHSBAVJBFYDIT-JTQLQIEISA-N 2 2 196.294 1.490 10 0 ADAELP C[NH2+][C@H](C)C[N@H+](C)[C@H]1CCSC1 251129452 571806309 /nfs/dbraw/zinc/80/63/09/571806309.db2.gz TWMVOZUTMUFVEK-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+](C)[C@H]1CCSC1 251129452 571806315 /nfs/dbraw/zinc/80/63/15/571806315.db2.gz TWMVOZUTMUFVEK-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+](C)[C@H]1CCSC1 251129453 571806414 /nfs/dbraw/zinc/80/64/14/571806414.db2.gz TWMVOZUTMUFVEK-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+](C)[C@H]1CCSC1 251129453 571806416 /nfs/dbraw/zinc/80/64/16/571806416.db2.gz TWMVOZUTMUFVEK-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CC(C)C[NH2+][C@H]1CCC[N@@H+](C2CC2)C1 73653268 571806485 /nfs/dbraw/zinc/80/64/85/571806485.db2.gz JDAVLCXVPFVBSM-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[NH2+][C@H]1CCC[N@H+](C2CC2)C1 73653268 571806487 /nfs/dbraw/zinc/80/64/87/571806487.db2.gz JDAVLCXVPFVBSM-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+](C)[C@H]1CCSC1 251138125 571806646 /nfs/dbraw/zinc/80/66/46/571806646.db2.gz VVXDYEPEMZZBSQ-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+](C)[C@H]1CCSC1 251138125 571806651 /nfs/dbraw/zinc/80/66/51/571806651.db2.gz VVXDYEPEMZZBSQ-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+]1CCCC[C@H]1C 251122649 571806722 /nfs/dbraw/zinc/80/67/22/571806722.db2.gz WNXVMPUPSKALNP-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+]1CCCC[C@H]1C 251122649 571806726 /nfs/dbraw/zinc/80/67/26/571806726.db2.gz WNXVMPUPSKALNP-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H](C)[C@H](C)[NH3+] 251266788 571808127 /nfs/dbraw/zinc/80/81/27/571808127.db2.gz AYLJKUDAAIGXDE-GUBZILKMSA-N 2 2 172.316 1.698 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H](C)[C@H](C)[NH3+] 251266788 571808128 /nfs/dbraw/zinc/80/81/28/571808128.db2.gz AYLJKUDAAIGXDE-GUBZILKMSA-N 2 2 172.316 1.698 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H](C)[C@H](C)[NH3+] 251266796 571808594 /nfs/dbraw/zinc/80/85/94/571808594.db2.gz AYLJKUDAAIGXDE-LPEHRKFASA-N 2 2 172.316 1.698 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H](C)[C@H](C)[NH3+] 251266796 571808592 /nfs/dbraw/zinc/80/85/92/571808592.db2.gz AYLJKUDAAIGXDE-LPEHRKFASA-N 2 2 172.316 1.698 10 0 ADAELP C[NH+](C)C(C)(C)[C@H]([NH3+])Cc1ccco1 74241339 571808805 /nfs/dbraw/zinc/80/88/05/571808805.db2.gz HQHSBAVJBFYDIT-SNVBAGLBSA-N 2 2 196.294 1.490 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCC[N@@H+](C2CC2)C1 73653264 571809271 /nfs/dbraw/zinc/80/92/71/571809271.db2.gz JDAVLCXVPFVBSM-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCC[N@H+](C2CC2)C1 73653264 571809276 /nfs/dbraw/zinc/80/92/76/571809276.db2.gz JDAVLCXVPFVBSM-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)[C@H](C)C1CC1 251271592 571809373 /nfs/dbraw/zinc/80/93/73/571809373.db2.gz BXWKMIHTIWYGOD-ZYHUDNBSSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)[C@H](C)C1CC1 251271592 571809377 /nfs/dbraw/zinc/80/93/77/571809377.db2.gz BXWKMIHTIWYGOD-ZYHUDNBSSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)[C@@H]([NH3+])Cc1[nH+]ccn1C 74301458 571810023 /nfs/dbraw/zinc/81/00/23/571810023.db2.gz NZESHQXHBLYODG-IUCAKERBSA-N 2 2 181.283 1.336 10 0 ADAELP C[NH+](C)CC[C@H]([NH3+])c1ccoc1 74333110 571810242 /nfs/dbraw/zinc/81/02/42/571810242.db2.gz GSHUHNPWFUWIFQ-VIFPVBQESA-N 2 2 168.240 1.231 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 251266792 571810267 /nfs/dbraw/zinc/81/02/67/571810267.db2.gz AYLJKUDAAIGXDE-KXUCPTDWSA-N 2 2 172.316 1.698 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 251266792 571810271 /nfs/dbraw/zinc/81/02/71/571810271.db2.gz AYLJKUDAAIGXDE-KXUCPTDWSA-N 2 2 172.316 1.698 10 0 ADAELP Cc1ccc(CCCC[NH3+])c[nH+]1 74340107 571810286 /nfs/dbraw/zinc/81/02/86/571810286.db2.gz OXVLFJMNADEHGM-UHFFFAOYSA-N 2 2 164.252 1.671 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@H](C)C1CC1 251520170 571810329 /nfs/dbraw/zinc/81/03/29/571810329.db2.gz JIRXFGPAMCNWKN-DJLDLDEBSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 251520170 571810332 /nfs/dbraw/zinc/81/03/32/571810332.db2.gz JIRXFGPAMCNWKN-DJLDLDEBSA-N 2 2 170.300 1.452 10 0 ADAELP CCC[C@@H]([NH3+])C1([NH+](C)C)CCCC1 74282311 571810411 /nfs/dbraw/zinc/81/04/11/571810411.db2.gz JLMMYCRFJUCTDC-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H](C)[C@H]([NH3+])Cc1[nH+]ccn1C 74301452 571810441 /nfs/dbraw/zinc/81/04/41/571810441.db2.gz NZESHQXHBLYODG-RKDXNWHRSA-N 2 2 181.283 1.336 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)[C@H](C)C1CC1 251520176 571810588 /nfs/dbraw/zinc/81/05/88/571810588.db2.gz JIRXFGPAMCNWKN-XHNCKOQMSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)[C@H](C)C1CC1 251520176 571810590 /nfs/dbraw/zinc/81/05/90/571810590.db2.gz JIRXFGPAMCNWKN-XHNCKOQMSA-N 2 2 170.300 1.452 10 0 ADAELP CCC[C@H]([NH3+])C1([NH+](C)C)CCCC1 74282307 571810627 /nfs/dbraw/zinc/81/06/27/571810627.db2.gz JLMMYCRFJUCTDC-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP C[NH+](C)C[C@@H]([NH3+])Cc1cccs1 74282542 571811218 /nfs/dbraw/zinc/81/12/18/571811218.db2.gz CPGGQIDWLZBSDX-QMMMGPOBSA-N 2 2 184.308 1.180 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)[C@H](C)C1CC1 251271591 571811841 /nfs/dbraw/zinc/81/18/41/571811841.db2.gz BXWKMIHTIWYGOD-PWSUYJOCSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)[C@H](C)C1CC1 251271591 571811847 /nfs/dbraw/zinc/81/18/47/571811847.db2.gz BXWKMIHTIWYGOD-PWSUYJOCSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH+](C)C[C@H]([NH3+])Cc1cccs1 74282538 571812368 /nfs/dbraw/zinc/81/23/68/571812368.db2.gz CPGGQIDWLZBSDX-MRVPVSSYSA-N 2 2 184.308 1.180 10 0 ADAELP Cc1cc[nH+]cc1CCCC[NH3+] 74340106 571812408 /nfs/dbraw/zinc/81/24/08/571812408.db2.gz YKZHYFJZPDAQKO-UHFFFAOYSA-N 2 2 164.252 1.671 10 0 ADAELP CC[C@@H](C)[C@@H]([NH3+])Cc1[nH+]ccn1C 74301456 571812822 /nfs/dbraw/zinc/81/28/22/571812822.db2.gz NZESHQXHBLYODG-BDAKNGLRSA-N 2 2 181.283 1.336 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])Cc1[nH+]ccn1C 74301454 571813042 /nfs/dbraw/zinc/81/30/42/571813042.db2.gz NZESHQXHBLYODG-DTWKUNHWSA-N 2 2 181.283 1.336 10 0 ADAELP C[NH+](C)CC[C@@H]([NH3+])c1ccoc1 74333113 571813172 /nfs/dbraw/zinc/81/31/72/571813172.db2.gz GSHUHNPWFUWIFQ-SECBINFHSA-N 2 2 168.240 1.231 10 0 ADAELP COc1c[nH+]cc(NCCC[NH3+])c1C 687653108 571813597 /nfs/dbraw/zinc/81/35/97/571813597.db2.gz PKFJNTIXFUZRDF-UHFFFAOYSA-N 2 2 195.266 1.159 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@H](C)[C@H](C)[NH3+] 251310446 571813925 /nfs/dbraw/zinc/81/39/25/571813925.db2.gz KHOBGOPTICGAIO-LPEHRKFASA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@H](C)[C@H](C)[NH3+] 251310446 571813930 /nfs/dbraw/zinc/81/39/30/571813930.db2.gz KHOBGOPTICGAIO-LPEHRKFASA-N 2 2 172.316 1.843 10 0 ADAELP Cc1[nH]c[nH+]c1Cn1c[nH+]c(C)c1C 687802098 571814022 /nfs/dbraw/zinc/81/40/22/571814022.db2.gz UAKGQPBWZVCGDP-UHFFFAOYSA-N 2 2 190.250 1.580 10 0 ADAELP Cc1[nH+]c[nH]c1Cn1c[nH+]c(C)c1C 687802098 571814028 /nfs/dbraw/zinc/81/40/28/571814028.db2.gz UAKGQPBWZVCGDP-UHFFFAOYSA-N 2 2 190.250 1.580 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+](C)[C@H](C)C(C)C 251327067 571814221 /nfs/dbraw/zinc/81/42/21/571814221.db2.gz NHMYTADDDOQTIO-GMTAPVOTSA-N 2 2 186.343 1.959 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 251327067 571814224 /nfs/dbraw/zinc/81/42/24/571814224.db2.gz NHMYTADDDOQTIO-GMTAPVOTSA-N 2 2 186.343 1.959 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@@H](C)[C@H](C)[NH3+] 251310438 571814856 /nfs/dbraw/zinc/81/48/56/571814856.db2.gz KHOBGOPTICGAIO-GUBZILKMSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@@H](C)[C@H](C)[NH3+] 251310438 571814861 /nfs/dbraw/zinc/81/48/61/571814861.db2.gz KHOBGOPTICGAIO-GUBZILKMSA-N 2 2 172.316 1.843 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccco1 37910265 571814960 /nfs/dbraw/zinc/81/49/60/571814960.db2.gz KQQSTPRXFBGVEC-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccco1 37910265 571814967 /nfs/dbraw/zinc/81/49/67/571814967.db2.gz KQQSTPRXFBGVEC-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+](C)[C@H](C)C1CC1 251466978 571814993 /nfs/dbraw/zinc/81/49/93/571814993.db2.gz DESDQJAXIVOZJI-OPRDCNLKSA-N 2 2 184.327 1.713 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 251466978 571814997 /nfs/dbraw/zinc/81/49/97/571814997.db2.gz DESDQJAXIVOZJI-OPRDCNLKSA-N 2 2 184.327 1.713 10 0 ADAELP C[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH3+] 37925450 571815004 /nfs/dbraw/zinc/81/50/04/571815004.db2.gz XRBOJPSYZPRTOX-VHSXEESVSA-N 2 2 168.284 1.208 10 0 ADAELP C[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH3+] 37925450 571815007 /nfs/dbraw/zinc/81/50/07/571815007.db2.gz XRBOJPSYZPRTOX-VHSXEESVSA-N 2 2 168.284 1.208 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccco1 37910266 571815257 /nfs/dbraw/zinc/81/52/57/571815257.db2.gz KQQSTPRXFBGVEC-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccco1 37910266 571815260 /nfs/dbraw/zinc/81/52/60/571815260.db2.gz KQQSTPRXFBGVEC-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP C[N@H+](CC1CC1)[C@H]1CCC[C@@H]1[NH3+] 37925451 571815679 /nfs/dbraw/zinc/81/56/79/571815679.db2.gz XRBOJPSYZPRTOX-UWVGGRQHSA-N 2 2 168.284 1.208 10 0 ADAELP C[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1[NH3+] 37925451 571815682 /nfs/dbraw/zinc/81/56/82/571815682.db2.gz XRBOJPSYZPRTOX-UWVGGRQHSA-N 2 2 168.284 1.208 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 251310442 571816006 /nfs/dbraw/zinc/81/60/06/571816006.db2.gz KHOBGOPTICGAIO-IVZWLZJFSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 251310442 571816012 /nfs/dbraw/zinc/81/60/12/571816012.db2.gz KHOBGOPTICGAIO-IVZWLZJFSA-N 2 2 172.316 1.843 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)CC2CC2)C1 37925444 571816088 /nfs/dbraw/zinc/81/60/88/571816088.db2.gz WXRVYZBFTUPOET-ADEWGFFLSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)CC2CC2)C1 37925444 571816092 /nfs/dbraw/zinc/81/60/92/571816092.db2.gz WXRVYZBFTUPOET-ADEWGFFLSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 37914172 571816199 /nfs/dbraw/zinc/81/61/99/571816199.db2.gz KLDCGDGAAUNIRK-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 37914172 571816206 /nfs/dbraw/zinc/81/62/06/571816206.db2.gz KLDCGDGAAUNIRK-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H]1C(C)C 251460520 571816275 /nfs/dbraw/zinc/81/62/75/571816275.db2.gz YTQAVWUOZIUPBU-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+]1CCC[C@H]1C(C)C 251460520 571816282 /nfs/dbraw/zinc/81/62/82/571816282.db2.gz YTQAVWUOZIUPBU-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 37914171 571816326 /nfs/dbraw/zinc/81/63/26/571816326.db2.gz KLDCGDGAAUNIRK-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 37914171 571816329 /nfs/dbraw/zinc/81/63/29/571816329.db2.gz KLDCGDGAAUNIRK-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+](C)[C@H](C)C(C)C 251313877 571816471 /nfs/dbraw/zinc/81/64/71/571816471.db2.gz KPCWHFJGJZNXIF-NXEZZACHSA-N 2 2 172.316 1.571 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 251313877 571816474 /nfs/dbraw/zinc/81/64/74/571816474.db2.gz KPCWHFJGJZNXIF-NXEZZACHSA-N 2 2 172.316 1.571 10 0 ADAELP CC(C)C[C@@H](C)[N@H+](C)[C@H](C)C(N)=[NH2+] 251385754 571816636 /nfs/dbraw/zinc/81/66/36/571816636.db2.gz IQJFJKOPJIVKGZ-RKDXNWHRSA-N 2 2 185.315 1.677 10 0 ADAELP CC(C)C[C@@H](C)[N@@H+](C)[C@H](C)C(N)=[NH2+] 251385754 571816641 /nfs/dbraw/zinc/81/66/41/571816641.db2.gz IQJFJKOPJIVKGZ-RKDXNWHRSA-N 2 2 185.315 1.677 10 0 ADAELP CCC[C@@H](C)[N@H+](C)[C@H](C)C(N)=[NH2+] 251324161 571816982 /nfs/dbraw/zinc/81/69/82/571816982.db2.gz MGMGPQHPXBELAS-HTQZYQBOSA-N 2 2 171.288 1.431 10 0 ADAELP CCC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=[NH2+] 251324161 571816984 /nfs/dbraw/zinc/81/69/84/571816984.db2.gz MGMGPQHPXBELAS-HTQZYQBOSA-N 2 2 171.288 1.431 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCC[C@H]1C(C)C 251418365 571817623 /nfs/dbraw/zinc/81/76/23/571817623.db2.gz PGLRQUVZRKTRHN-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCC[C@H]1C(C)C 251418365 571817625 /nfs/dbraw/zinc/81/76/25/571817625.db2.gz PGLRQUVZRKTRHN-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)CC2CC2)C1 37925446 571817986 /nfs/dbraw/zinc/81/79/86/571817986.db2.gz WXRVYZBFTUPOET-YUSALJHKSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)CC2CC2)C1 37925446 571817991 /nfs/dbraw/zinc/81/79/91/571817991.db2.gz WXRVYZBFTUPOET-YUSALJHKSA-N 2 2 196.338 1.844 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CCC(F)(F)F 75120620 571818053 /nfs/dbraw/zinc/81/80/53/571818053.db2.gz SGBUPBKFGKZNRF-UHFFFAOYSA-N 2 2 193.172 1.294 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1C[C@H](C)[NH2+]C 251704268 571818402 /nfs/dbraw/zinc/81/84/02/571818402.db2.gz JCZNROCIISPHNA-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@H](C)[NH2+]C 251704268 571818409 /nfs/dbraw/zinc/81/84/09/571818409.db2.gz JCZNROCIISPHNA-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H](C)[C@H](C)[NH2+]C 251569145 571818514 /nfs/dbraw/zinc/81/85/14/571818514.db2.gz BVFKBZUQLZKOHA-HBNTYKKESA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H](C)[C@H](C)[NH2+]C 251569145 571818520 /nfs/dbraw/zinc/81/85/20/571818520.db2.gz BVFKBZUQLZKOHA-HBNTYKKESA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H](C[NH2+]C)C(C)C 251674817 571818869 /nfs/dbraw/zinc/81/88/69/571818869.db2.gz CRPBIYNDGDXWDM-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H](C[NH2+]C)C(C)C 251674817 571818872 /nfs/dbraw/zinc/81/88/72/571818872.db2.gz CRPBIYNDGDXWDM-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CC(C)C[NH2+][C@H](C[NH3+])c1ccccc1 75581052 571819323 /nfs/dbraw/zinc/81/93/23/571819323.db2.gz KQCCRZNHQWOVMN-GFCCVEGCSA-N 2 2 192.306 1.932 10 0 ADAELP C[NH+](C)[C@H](C[NH3+])[C@H]1CCCCS1 214534412 571819682 /nfs/dbraw/zinc/81/96/82/571819682.db2.gz HWMPIAAEOFLGCG-RKDXNWHRSA-N 2 2 188.340 1.161 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)[C@H](C)C1CC1 251648989 571820061 /nfs/dbraw/zinc/82/00/61/571820061.db2.gz SPEJXEPJIYFZJE-JLLWLGSASA-N 2 2 196.338 1.857 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)[C@H](C)C1CC1 251648989 571820064 /nfs/dbraw/zinc/82/00/64/571820064.db2.gz SPEJXEPJIYFZJE-JLLWLGSASA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@H](C)[NH2+]C 251569131 571820083 /nfs/dbraw/zinc/82/00/83/571820083.db2.gz BVFKBZUQLZKOHA-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@H](C)[NH2+]C 251569131 571820086 /nfs/dbraw/zinc/82/00/86/571820086.db2.gz BVFKBZUQLZKOHA-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@H](C[NH2+]C)C(C)C 251674809 571820555 /nfs/dbraw/zinc/82/05/55/571820555.db2.gz CRPBIYNDGDXWDM-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@H](C[NH2+]C)C(C)C 251674809 571820556 /nfs/dbraw/zinc/82/05/56/571820556.db2.gz CRPBIYNDGDXWDM-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP C[NH+](C)[C@@H](C[NH3+])[C@@H]1CCCCS1 214534248 571820880 /nfs/dbraw/zinc/82/08/80/571820880.db2.gz HWMPIAAEOFLGCG-IUCAKERBSA-N 2 2 188.340 1.161 10 0 ADAELP C[NH+](C)[C@@H](C[NH3+])[C@H]1CCCCS1 214534360 571820999 /nfs/dbraw/zinc/82/09/99/571820999.db2.gz HWMPIAAEOFLGCG-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H](C)[C@@H](C)[NH2+]C 251569137 571821243 /nfs/dbraw/zinc/82/12/43/571821243.db2.gz BVFKBZUQLZKOHA-GMTAPVOTSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H](C)[C@@H](C)[NH2+]C 251569137 571821244 /nfs/dbraw/zinc/82/12/44/571821244.db2.gz BVFKBZUQLZKOHA-GMTAPVOTSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@H+](C)[C@H](C)C1CC1 251648993 571822114 /nfs/dbraw/zinc/82/21/14/571822114.db2.gz SPEJXEPJIYFZJE-YUSALJHKSA-N 2 2 196.338 1.857 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)[C@H](C)C1CC1 251648993 571822115 /nfs/dbraw/zinc/82/21/15/571822115.db2.gz SPEJXEPJIYFZJE-YUSALJHKSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)C[NH2+][C@@H](C[NH3+])c1ccccc1 75581051 571822517 /nfs/dbraw/zinc/82/25/17/571822517.db2.gz KQCCRZNHQWOVMN-LBPRGKRZSA-N 2 2 192.306 1.932 10 0 ADAELP Cc1[nH+]c(CCC[NH3+])[nH]c1C(F)F 214546643 571823589 /nfs/dbraw/zinc/82/35/89/571823589.db2.gz FVAGWBMJVULCKO-UHFFFAOYSA-N 2 2 189.209 1.547 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](CC)C1 251896945 571823713 /nfs/dbraw/zinc/82/37/13/571823713.db2.gz WMQVRVBOJNNETM-QWRGUYRKSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCC[C@H](CC)C1 251896945 571823715 /nfs/dbraw/zinc/82/37/15/571823715.db2.gz WMQVRVBOJNNETM-QWRGUYRKSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCCC[C@H]1C[NH2+]C 251936169 571823732 /nfs/dbraw/zinc/82/37/32/571823732.db2.gz RYUASRKOIHUUAH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@H+]1CCCC[C@H]1C[NH2+]C 251936169 571823735 /nfs/dbraw/zinc/82/37/35/571823735.db2.gz RYUASRKOIHUUAH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@H](C)[C@H](C)[NH3+] 251917605 571823751 /nfs/dbraw/zinc/82/37/51/571823751.db2.gz PTYVSMQGCASHLB-LPEHRKFASA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@H](C)[C@H](C)[NH3+] 251917605 571823755 /nfs/dbraw/zinc/82/37/55/571823755.db2.gz PTYVSMQGCASHLB-LPEHRKFASA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H](C)[C@H](C)[NH2+]C 251954700 571823923 /nfs/dbraw/zinc/82/39/23/571823923.db2.gz UXUIEWBCNNMESN-LPEHRKFASA-N 2 2 172.316 1.713 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H](C)[C@H](C)[NH2+]C 251954700 571823928 /nfs/dbraw/zinc/82/39/28/571823928.db2.gz UXUIEWBCNNMESN-LPEHRKFASA-N 2 2 172.316 1.713 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@H](C)[C@H](C)[NH2+]C 251939960 571824302 /nfs/dbraw/zinc/82/43/02/571824302.db2.gz SJPYVAYAIGWTNM-GARJFASQSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@H](C)[C@H](C)[NH2+]C 251939960 571824305 /nfs/dbraw/zinc/82/43/05/571824305.db2.gz SJPYVAYAIGWTNM-GARJFASQSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H](CC)C[NH2+]C 251846979 571824366 /nfs/dbraw/zinc/82/43/66/571824366.db2.gz MHXOUQLRWROUEE-VHSXEESVSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H](CC)C[NH2+]C 251846979 571824369 /nfs/dbraw/zinc/82/43/69/571824369.db2.gz MHXOUQLRWROUEE-VHSXEESVSA-N 2 2 172.316 1.715 10 0 ADAELP Cn1c(C(F)F)c[nH+]c1CCC[NH3+] 214545783 571824468 /nfs/dbraw/zinc/82/44/68/571824468.db2.gz SHIKLGIYKPHXCF-UHFFFAOYSA-N 2 2 189.209 1.249 10 0 ADAELP CCCCC[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 252433185 571824493 /nfs/dbraw/zinc/82/44/93/571824493.db2.gz BSQSZZJONAOANL-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CCCCC[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 252433185 571824501 /nfs/dbraw/zinc/82/45/01/571824501.db2.gz BSQSZZJONAOANL-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CCCCC[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252433184 571824858 /nfs/dbraw/zinc/82/48/58/571824858.db2.gz BSQSZZJONAOANL-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CCCCC[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252433184 571824860 /nfs/dbraw/zinc/82/48/60/571824860.db2.gz BSQSZZJONAOANL-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP c1coc(C[NH2+]C2CC[NH2+]CC2)c1 38040456 571824981 /nfs/dbraw/zinc/82/49/81/571824981.db2.gz JFLCADUXXHDUDJ-UHFFFAOYSA-N 2 2 180.251 1.121 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@H](C)[C@H](C)[NH3+] 252022335 571825233 /nfs/dbraw/zinc/82/52/33/571825233.db2.gz XOVUWADPUAJPPA-LPEHRKFASA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@H](C)[C@H](C)[NH3+] 252022335 571825237 /nfs/dbraw/zinc/82/52/37/571825237.db2.gz XOVUWADPUAJPPA-LPEHRKFASA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@H]1CCC[NH2+]C1 251843517 571825417 /nfs/dbraw/zinc/82/54/17/571825417.db2.gz LUMTYPJOBPLHOI-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@H]1CCC[NH2+]C1 251843517 571825419 /nfs/dbraw/zinc/82/54/19/571825419.db2.gz LUMTYPJOBPLHOI-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1CCCC[N@@H+]1[C@H](C)C[NH2+]C 251882049 571825613 /nfs/dbraw/zinc/82/56/13/571825613.db2.gz VGWVAPWADBUPJH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1CCCC[N@H+]1[C@H](C)C[NH2+]C 251882049 571825619 /nfs/dbraw/zinc/82/56/19/571825619.db2.gz VGWVAPWADBUPJH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+](CCC1CC1)CC(N)=[NH2+] 385335940 571825627 /nfs/dbraw/zinc/82/56/27/571825627.db2.gz YOBRIBODXCHPIM-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP CC[N@@H+](CCC1CC1)CC(N)=[NH2+] 385335940 571825633 /nfs/dbraw/zinc/82/56/33/571825633.db2.gz YOBRIBODXCHPIM-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@H](C)[C@@H](C)[NH2+]C 251940412 571825822 /nfs/dbraw/zinc/82/58/22/571825822.db2.gz SJPYVAYAIGWTNM-HBNTYKKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@H](C)[C@@H](C)[NH2+]C 251940412 571825825 /nfs/dbraw/zinc/82/58/25/571825825.db2.gz SJPYVAYAIGWTNM-HBNTYKKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@H](CC)C[NH2+]C 251846977 571825855 /nfs/dbraw/zinc/82/58/55/571825855.db2.gz MHXOUQLRWROUEE-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@H](CC)C[NH2+]C 251846977 571825858 /nfs/dbraw/zinc/82/58/58/571825858.db2.gz MHXOUQLRWROUEE-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@H](C)[NH3+] 251917597 571825975 /nfs/dbraw/zinc/82/59/75/571825975.db2.gz PTYVSMQGCASHLB-GUBZILKMSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@@H](C)[C@H](C)[NH3+] 251917597 571825972 /nfs/dbraw/zinc/82/59/72/571825972.db2.gz PTYVSMQGCASHLB-GUBZILKMSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@H](C)C[NH2+]C 251924622 571826252 /nfs/dbraw/zinc/82/62/52/571826252.db2.gz QMLIBYWHINQFOS-VHSXEESVSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@H](C)C[NH2+]C 251924622 571826254 /nfs/dbraw/zinc/82/62/54/571826254.db2.gz QMLIBYWHINQFOS-VHSXEESVSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@H](CC)C[NH2+]C 251919622 571826850 /nfs/dbraw/zinc/82/68/50/571826850.db2.gz PZJGCYNWJMRDHW-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@H](CC)C[NH2+]C 251919622 571826851 /nfs/dbraw/zinc/82/68/51/571826851.db2.gz PZJGCYNWJMRDHW-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@@H](C)[C@H](C)[NH3+] 252022332 571826854 /nfs/dbraw/zinc/82/68/54/571826854.db2.gz XOVUWADPUAJPPA-GUBZILKMSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@@H](C)[C@H](C)[NH3+] 252022332 571826855 /nfs/dbraw/zinc/82/68/55/571826855.db2.gz XOVUWADPUAJPPA-GUBZILKMSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@@H]1CCCC[N@@H+]1[C@H](C)C[NH2+]C 251882046 571826859 /nfs/dbraw/zinc/82/68/59/571826859.db2.gz VGWVAPWADBUPJH-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1CCCC[N@H+]1[C@H](C)C[NH2+]C 251882046 571826861 /nfs/dbraw/zinc/82/68/61/571826861.db2.gz VGWVAPWADBUPJH-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@H+](CC)[C@H](C)C[NH2+]C 251924621 571826923 /nfs/dbraw/zinc/82/69/23/571826923.db2.gz QMLIBYWHINQFOS-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@@H](C)[N@@H+](CC)[C@H](C)C[NH2+]C 251924621 571826925 /nfs/dbraw/zinc/82/69/25/571826925.db2.gz QMLIBYWHINQFOS-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH2+]C 251890767 571827008 /nfs/dbraw/zinc/82/70/08/571827008.db2.gz VZDQKRJDCZUFDV-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1CCCC[N@H+]1C[C@H](C)[NH2+]C 251890767 571827011 /nfs/dbraw/zinc/82/70/11/571827011.db2.gz VZDQKRJDCZUFDV-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H](C)[C@@H](C)[NH2+]C 251954699 571827602 /nfs/dbraw/zinc/82/76/02/571827602.db2.gz UXUIEWBCNNMESN-IVZWLZJFSA-N 2 2 172.316 1.713 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H](C)[C@@H](C)[NH2+]C 251954699 571827607 /nfs/dbraw/zinc/82/76/07/571827607.db2.gz UXUIEWBCNNMESN-IVZWLZJFSA-N 2 2 172.316 1.713 10 0 ADAELP CC[C@H](C)[N@@H+]1CCCC[C@H]1C[NH2+]C 251936171 571827740 /nfs/dbraw/zinc/82/77/40/571827740.db2.gz RYUASRKOIHUUAH-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCCC[C@H]1C[NH2+]C 251936171 571827742 /nfs/dbraw/zinc/82/77/42/571827742.db2.gz RYUASRKOIHUUAH-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 251917601 571827854 /nfs/dbraw/zinc/82/78/54/571827854.db2.gz PTYVSMQGCASHLB-IVZWLZJFSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 251917601 571827856 /nfs/dbraw/zinc/82/78/56/571827856.db2.gz PTYVSMQGCASHLB-IVZWLZJFSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]1CCCC[N@@H+]1C[C@H](C)[NH2+]C 251890766 571828472 /nfs/dbraw/zinc/82/84/72/571828472.db2.gz VZDQKRJDCZUFDV-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1CCCC[N@H+]1C[C@H](C)[NH2+]C 251890766 571828478 /nfs/dbraw/zinc/82/84/78/571828478.db2.gz VZDQKRJDCZUFDV-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@H](C)[C@@H](C)[NH3+] 252022333 571828633 /nfs/dbraw/zinc/82/86/33/571828633.db2.gz XOVUWADPUAJPPA-IVZWLZJFSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@H](C)[C@@H](C)[NH3+] 252022333 571828638 /nfs/dbraw/zinc/82/86/38/571828638.db2.gz XOVUWADPUAJPPA-IVZWLZJFSA-N 2 2 172.316 1.843 10 0 ADAELP CC(C)OCC[C@@H]([NH3+])c1c[nH+]cn1C 686225037 571828844 /nfs/dbraw/zinc/82/88/44/571828844.db2.gz QDWJJLDMLNJNAU-SECBINFHSA-N 2 2 197.282 1.235 10 0 ADAELP C[C@H](c1ccoc1)[NH+]1CC(C[NH3+])C1 712562536 571829953 /nfs/dbraw/zinc/82/99/53/571829953.db2.gz GTINHCODMHNVJW-MRVPVSSYSA-N 2 2 180.251 1.231 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252410085 571830212 /nfs/dbraw/zinc/83/02/12/571830212.db2.gz KZOIWHLBVQOUCY-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252410085 571830216 /nfs/dbraw/zinc/83/02/16/571830216.db2.gz KZOIWHLBVQOUCY-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)OCC[C@H]([NH3+])c1c[nH+]cn1C 686225038 571830310 /nfs/dbraw/zinc/83/03/10/571830310.db2.gz QDWJJLDMLNJNAU-VIFPVBQESA-N 2 2 197.282 1.235 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCC[C@H]1C 252220418 571830315 /nfs/dbraw/zinc/83/03/15/571830315.db2.gz YWLVYFLAEVCZRR-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCC[C@H]1C 252220418 571830318 /nfs/dbraw/zinc/83/03/18/571830318.db2.gz YWLVYFLAEVCZRR-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+](C)[C@H](C)C1CC1 252421091 571830624 /nfs/dbraw/zinc/83/06/24/571830624.db2.gz YUGDRKWOANQTTE-MWLCHTKSSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+](C)[C@H](C)C1CC1 252421091 571830629 /nfs/dbraw/zinc/83/06/29/571830629.db2.gz YUGDRKWOANQTTE-MWLCHTKSSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@H](C)C1CC1 252417214 571833273 /nfs/dbraw/zinc/83/32/73/571833273.db2.gz UHYBKMNKUNXCRS-KKZNHRDASA-N 2 2 184.327 1.843 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 252410084 571830927 /nfs/dbraw/zinc/83/09/27/571830927.db2.gz KZOIWHLBVQOUCY-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 252410084 571830929 /nfs/dbraw/zinc/83/09/29/571830929.db2.gz KZOIWHLBVQOUCY-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)[C@H](C)C1CC1 252417215 571830949 /nfs/dbraw/zinc/83/09/49/571830949.db2.gz UHYBKMNKUNXCRS-YWVKMMECSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)[C@H](C)C1CC1 252417215 571830952 /nfs/dbraw/zinc/83/09/52/571830952.db2.gz UHYBKMNKUNXCRS-YWVKMMECSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)c1c[nH+]c(CCCC[NH3+])[nH]1 78521042 571831185 /nfs/dbraw/zinc/83/11/85/571831185.db2.gz ASKNJWBCUUVQBY-UHFFFAOYSA-N 2 2 181.283 1.815 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)[C@H](C)C(C)C 252389125 571831499 /nfs/dbraw/zinc/83/14/99/571831499.db2.gz HPYOJVFOLLLHFB-NXEZZACHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)[C@H](C)C(C)C 252389125 571831502 /nfs/dbraw/zinc/83/15/02/571831502.db2.gz HPYOJVFOLLLHFB-NXEZZACHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC[C@H]1CC 252415562 571831596 /nfs/dbraw/zinc/83/15/96/571831596.db2.gz LTNHSPBBQOKQLG-MXWKQRLJSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCC[C@H]1CC 252415562 571831600 /nfs/dbraw/zinc/83/16/00/571831600.db2.gz LTNHSPBBQOKQLG-MXWKQRLJSA-N 2 2 184.327 1.987 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCC[C@H](C)C1 252207657 571831983 /nfs/dbraw/zinc/83/19/83/571831983.db2.gz VLMYWFWCXZKUAK-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCC[C@H](C)C1 252207657 571831986 /nfs/dbraw/zinc/83/19/86/571831986.db2.gz VLMYWFWCXZKUAK-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H](c1ccoc1)[NH+]1CC(C[NH3+])C1 712562538 571832022 /nfs/dbraw/zinc/83/20/22/571832022.db2.gz GTINHCODMHNVJW-QMMMGPOBSA-N 2 2 180.251 1.231 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C 252413790 571832080 /nfs/dbraw/zinc/83/20/80/571832080.db2.gz FKWAKDSKKYKSIG-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C 252413790 571832081 /nfs/dbraw/zinc/83/20/81/571832081.db2.gz FKWAKDSKKYKSIG-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](CC)[C@H](C)CC 252393031 571832369 /nfs/dbraw/zinc/83/23/69/571832369.db2.gz XMUMALVRSRENSS-ZJUUUORDSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](CC)[C@H](C)CC 252393031 571832370 /nfs/dbraw/zinc/83/23/70/571832370.db2.gz XMUMALVRSRENSS-ZJUUUORDSA-N 2 2 172.316 1.844 10 0 ADAELP C/C(=C\c1[nH+]ccn1C)C[NH2+]C1CC1 385361051 571833236 /nfs/dbraw/zinc/83/32/36/571833236.db2.gz WBXDXMKSQIHDHX-VQHVLOKHSA-N 2 2 191.278 1.575 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+](C)[C@H](C)C1CC1 252421090 571833305 /nfs/dbraw/zinc/83/33/05/571833305.db2.gz YUGDRKWOANQTTE-KOLCDFICSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C 252413789 571832484 /nfs/dbraw/zinc/83/24/84/571832484.db2.gz FKWAKDSKKYKSIG-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C 252413789 571832487 /nfs/dbraw/zinc/83/24/87/571832487.db2.gz FKWAKDSKKYKSIG-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@H]1CC 252415561 571832929 /nfs/dbraw/zinc/83/29/29/571832929.db2.gz LTNHSPBBQOKQLG-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@H]1CC 252415561 571832932 /nfs/dbraw/zinc/83/29/32/571832932.db2.gz LTNHSPBBQOKQLG-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+](C)[C@H](C)C(C)C 252418203 571833088 /nfs/dbraw/zinc/83/30/88/571833088.db2.gz VFNKBPNJBWQVLQ-GHMZBOCLSA-N 2 2 186.343 1.946 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+](C)[C@H](C)C(C)C 252418203 571833093 /nfs/dbraw/zinc/83/30/93/571833093.db2.gz VFNKBPNJBWQVLQ-GHMZBOCLSA-N 2 2 186.343 1.946 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)C(C)C 252389127 571833184 /nfs/dbraw/zinc/83/31/84/571833184.db2.gz HPYOJVFOLLLHFB-ZJUUUORDSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)C(C)C 252389127 571833185 /nfs/dbraw/zinc/83/31/85/571833185.db2.gz HPYOJVFOLLLHFB-ZJUUUORDSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 252417214 571833278 /nfs/dbraw/zinc/83/32/78/571833278.db2.gz UHYBKMNKUNXCRS-KKZNHRDASA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+](C)[C@H](C)C1CC1 252421090 571833308 /nfs/dbraw/zinc/83/33/08/571833308.db2.gz YUGDRKWOANQTTE-KOLCDFICSA-N 2 2 184.327 1.700 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252410086 571833787 /nfs/dbraw/zinc/83/37/87/571833787.db2.gz KZOIWHLBVQOUCY-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252410086 571833789 /nfs/dbraw/zinc/83/37/89/571833789.db2.gz KZOIWHLBVQOUCY-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@H]1[NH3+] 252437679 571834271 /nfs/dbraw/zinc/83/42/71/571834271.db2.gz XARPUIBPUUFRKK-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@H]1[NH3+] 252437679 571834275 /nfs/dbraw/zinc/83/42/75/571834275.db2.gz XARPUIBPUUFRKK-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H]1C[C@H]1C 252454681 571834313 /nfs/dbraw/zinc/83/43/13/571834313.db2.gz IHUKBVHTBDOXHU-KXUCPTDWSA-N 2 2 193.294 1.586 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252435646 571834611 /nfs/dbraw/zinc/83/46/11/571834611.db2.gz KKLPKDVCCYSQGT-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252435646 571834614 /nfs/dbraw/zinc/83/46/14/571834614.db2.gz KKLPKDVCCYSQGT-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1ccc[nH+]c1NC[C@@H]1CC[N@H+]1C 712565032 571834926 /nfs/dbraw/zinc/83/49/26/571834926.db2.gz PCKIOOAFPWXMJG-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP Cc1ccc[nH+]c1NC[C@@H]1CC[N@@H+]1C 712565032 571834929 /nfs/dbraw/zinc/83/49/29/571834929.db2.gz PCKIOOAFPWXMJG-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 222167768 571835591 /nfs/dbraw/zinc/83/55/91/571835591.db2.gz NFZWHSDCNPBCKA-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 222167768 571835593 /nfs/dbraw/zinc/83/55/93/571835593.db2.gz NFZWHSDCNPBCKA-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@H]1[NH3+] 252437677 571835634 /nfs/dbraw/zinc/83/56/34/571835634.db2.gz XARPUIBPUUFRKK-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@H]1CCC[C@H]1[NH3+] 252437677 571835637 /nfs/dbraw/zinc/83/56/37/571835637.db2.gz XARPUIBPUUFRKK-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252435647 571835990 /nfs/dbraw/zinc/83/59/90/571835990.db2.gz KKLPKDVCCYSQGT-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252435647 571835992 /nfs/dbraw/zinc/83/59/92/571835992.db2.gz KKLPKDVCCYSQGT-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[NH2+][C@H](C)C1 234218058 571836059 /nfs/dbraw/zinc/83/60/59/571836059.db2.gz NKUVFUBMZZNOET-NXEZZACHSA-N 2 2 193.294 1.759 10 0 ADAELP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]2C)c1 712565030 571836375 /nfs/dbraw/zinc/83/63/75/571836375.db2.gz PALINPUWISCHFU-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]2C)c1 712565030 571836377 /nfs/dbraw/zinc/83/63/77/571836377.db2.gz PALINPUWISCHFU-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[C@H](C)[NH2+]C1 234218324 571836406 /nfs/dbraw/zinc/83/64/06/571836406.db2.gz YRPVURFWAMABDJ-VHSXEESVSA-N 2 2 193.294 1.759 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1[NH2+]C 251763251 571836713 /nfs/dbraw/zinc/83/67/13/571836713.db2.gz HUJDNPUNXHCGEZ-HBNTYKKESA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1[NH2+]C 251763251 571836714 /nfs/dbraw/zinc/83/67/14/571836714.db2.gz HUJDNPUNXHCGEZ-HBNTYKKESA-N 2 2 184.327 1.857 10 0 ADAELP Cc1ccc[nH+]c1NC[C@H]1CC[N@H+]1C 712565034 571836793 /nfs/dbraw/zinc/83/67/93/571836793.db2.gz PCKIOOAFPWXMJG-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1ccc[nH+]c1NC[C@H]1CC[N@@H+]1C 712565034 571836799 /nfs/dbraw/zinc/83/67/99/571836799.db2.gz PCKIOOAFPWXMJG-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[C@@H](C)[NH2+]C1 234218174 571837165 /nfs/dbraw/zinc/83/71/65/571837165.db2.gz YRPVURFWAMABDJ-NXEZZACHSA-N 2 2 193.294 1.759 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)CC)C1 252435852 571837236 /nfs/dbraw/zinc/83/72/36/571837236.db2.gz LSWYVEBMHFUAOH-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@H](C)CC)C1 252435852 571837238 /nfs/dbraw/zinc/83/72/38/571837238.db2.gz LSWYVEBMHFUAOH-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1[NH2+]C 251763247 571837343 /nfs/dbraw/zinc/83/73/43/571837343.db2.gz HUJDNPUNXHCGEZ-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1[NH2+]C 251763247 571837345 /nfs/dbraw/zinc/83/73/45/571837345.db2.gz HUJDNPUNXHCGEZ-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1[NH2+]C 251763244 571837366 /nfs/dbraw/zinc/83/73/66/571837366.db2.gz HUJDNPUNXHCGEZ-AXFHLTTASA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1[NH2+]C 251763244 571837368 /nfs/dbraw/zinc/83/73/68/571837368.db2.gz HUJDNPUNXHCGEZ-AXFHLTTASA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@H](C)CC 252436147 571837377 /nfs/dbraw/zinc/83/73/77/571837377.db2.gz NKGNFCWGQYDGGN-BBBLOLIVSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@H](C)CC 252436147 571837379 /nfs/dbraw/zinc/83/73/79/571837379.db2.gz NKGNFCWGQYDGGN-BBBLOLIVSA-N 2 2 172.316 1.843 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+]C[C@H](C)C1 234218505 571837424 /nfs/dbraw/zinc/83/74/24/571837424.db2.gz DXRXRPVVWZZJDN-ZJUUUORDSA-N 2 2 193.294 1.616 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@H]1CCC[C@@H]1[NH3+] 252437678 571837457 /nfs/dbraw/zinc/83/74/57/571837457.db2.gz XARPUIBPUUFRKK-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@H]1CCC[C@@H]1[NH3+] 252437678 571837459 /nfs/dbraw/zinc/83/74/59/571837459.db2.gz XARPUIBPUUFRKK-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+]([C@H](C)CC)C1 252435853 571837663 /nfs/dbraw/zinc/83/76/63/571837663.db2.gz LSWYVEBMHFUAOH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+]([C@H](C)CC)C1 252435853 571837665 /nfs/dbraw/zinc/83/76/65/571837665.db2.gz LSWYVEBMHFUAOH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C 252454682 571837758 /nfs/dbraw/zinc/83/77/58/571837758.db2.gz IHUKBVHTBDOXHU-OPRDCNLKSA-N 2 2 193.294 1.586 10 0 ADAELP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]2C)c1 712565029 571838019 /nfs/dbraw/zinc/83/80/19/571838019.db2.gz PALINPUWISCHFU-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+]C[C@@H](C)C1 234218476 571838023 /nfs/dbraw/zinc/83/80/23/571838023.db2.gz DXRXRPVVWZZJDN-UWVGGRQHSA-N 2 2 193.294 1.616 10 0 ADAELP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]2C)c1 712565029 571838024 /nfs/dbraw/zinc/83/80/24/571838024.db2.gz PALINPUWISCHFU-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP CC1=CCC([C@@H]([NH3+])C[NH+](C)C)S1 725546870 571838806 /nfs/dbraw/zinc/83/88/06/571838806.db2.gz DBWWRBQNCQFYBT-QMMMGPOBSA-N 2 2 185.316 1.448 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 233915406 571843250 /nfs/dbraw/zinc/84/32/50/571843250.db2.gz DERFYMOXKCCBSN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+]CC/C=C\Cc1ccc[nH+]c1N 211611739 571842773 /nfs/dbraw/zinc/84/27/73/571842773.db2.gz OGBVTAWCCWTZLA-IHWYPQMZSA-N 2 2 191.278 1.372 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 233915406 571843248 /nfs/dbraw/zinc/84/32/48/571843248.db2.gz DERFYMOXKCCBSN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 233910882 571845747 /nfs/dbraw/zinc/84/57/47/571845747.db2.gz DERFYMOXKCCBSN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 233910882 571845749 /nfs/dbraw/zinc/84/57/49/571845749.db2.gz DERFYMOXKCCBSN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1SCC[C@H]1[NH2+]CC[NH+](C)C 235371848 571847840 /nfs/dbraw/zinc/84/78/40/571847840.db2.gz HIZCUHJXPFPMAQ-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP Cc1cn(-c2ccc(C[NH3+])cc2)c[nH+]1 38540407 571851357 /nfs/dbraw/zinc/85/13/57/571851357.db2.gz KQBXRCAZGVHDAU-UHFFFAOYSA-N 2 2 187.246 1.639 10 0 ADAELP CC[C@@H]1CC[N@H+](CC2(C)CC2)CC[NH2+]1 233923424 571851672 /nfs/dbraw/zinc/85/16/72/571851672.db2.gz JYYFTOSAOQWGAT-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CC[N@@H+](CC2(C)CC2)CC[NH2+]1 233923424 571851676 /nfs/dbraw/zinc/85/16/76/571851676.db2.gz JYYFTOSAOQWGAT-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C1=C(c2c[nH]c[nH+]2)C[C@@H]2C[NH2+]C[C@H]12 38760623 571855105 /nfs/dbraw/zinc/85/51/05/571855105.db2.gz HHWXPWIPHCTDHJ-DTWKUNHWSA-N 2 2 175.235 1.032 10 0 ADAELP CCC(CC)[N@H+](C)CC(N)=[NH2+] 38719429 571855110 /nfs/dbraw/zinc/85/51/10/571855110.db2.gz NHARXUAGPWCOQG-UHFFFAOYSA-N 2 2 157.261 1.043 10 0 ADAELP CCC(CC)[N@@H+](C)CC(N)=[NH2+] 38719429 571855112 /nfs/dbraw/zinc/85/51/12/571855112.db2.gz NHARXUAGPWCOQG-UHFFFAOYSA-N 2 2 157.261 1.043 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H]([NH2+]C)C1 233929866 571855492 /nfs/dbraw/zinc/85/54/92/571855492.db2.gz CMHIOCORBYDLFO-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH2+]C)C1 233929866 571855494 /nfs/dbraw/zinc/85/54/94/571855494.db2.gz CMHIOCORBYDLFO-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP CC[C@@H]1C[C@@H]1n1c[nH+]cc1C1C[NH2+]C1 233927556 571855661 /nfs/dbraw/zinc/85/56/61/571855661.db2.gz XFYIXYREWBNWJZ-SCZZXKLOSA-N 2 2 191.278 1.541 10 0 ADAELP CC[C@@H]1C[C@H]1n1c[nH+]cc1C1C[NH2+]C1 233926578 571855702 /nfs/dbraw/zinc/85/57/02/571855702.db2.gz XFYIXYREWBNWJZ-PSASIEDQSA-N 2 2 191.278 1.541 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@H]([NH2+]C)C1 233929495 571856147 /nfs/dbraw/zinc/85/61/47/571856147.db2.gz SBBLYVVKZXCHQD-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@H+]1CCC[C@@H]([NH2+]C)C1 233929495 571856149 /nfs/dbraw/zinc/85/61/49/571856149.db2.gz SBBLYVVKZXCHQD-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@H](C)C[NH2+][C@H](C)CC(F)(F)F 234441253 571857751 /nfs/dbraw/zinc/85/77/51/571857751.db2.gz MAPATCLJYAKKAC-RNFRBKRXSA-N 2 2 198.232 1.525 10 0 ADAELP C[NH2+][C@H](C)C[NH2+][C@@H](C)CC(F)(F)F 234441078 571859424 /nfs/dbraw/zinc/85/94/24/571859424.db2.gz MAPATCLJYAKKAC-NKWVEPMBSA-N 2 2 198.232 1.525 10 0 ADAELP Cc1cc2[nH+]c[nH]c2cc1C[NH3+] 38855324 571861302 /nfs/dbraw/zinc/86/13/02/571861302.db2.gz WZUSJWVIXXXDGI-UHFFFAOYSA-N 2 2 161.208 1.330 10 0 ADAELP CC[N@@H+]1CC[C@@H]1C[NH2+]CCC(C)C 712613502 571861303 /nfs/dbraw/zinc/86/13/03/571861303.db2.gz HQWODPWQWIXELD-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+]1CC[C@@H]1C[NH2+]CCC(C)C 712613502 571861304 /nfs/dbraw/zinc/86/13/04/571861304.db2.gz HQWODPWQWIXELD-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH+](C)C[C@H]([NH3+])C1=CCCCC1 234249746 571860594 /nfs/dbraw/zinc/86/05/94/571860594.db2.gz ZTWIUYKVMKUPQC-JTQLQIEISA-N 2 2 168.284 1.376 10 0 ADAELP Cc1sc2c[nH+]cn2c1C[NH3+] 138908697 571860873 /nfs/dbraw/zinc/86/08/73/571860873.db2.gz IWHQMGWWZNDSGA-UHFFFAOYSA-N 2 2 167.237 1.163 10 0 ADAELP C[NH+](C)C[C@H]([NH3+])C1=CCCCCC1 234249770 571861265 /nfs/dbraw/zinc/86/12/65/571861265.db2.gz MOCVVHGHPRZHOI-NSHDSACASA-N 2 2 182.311 1.766 10 0 ADAELP C[NH+](C)C(C)(C)C[NH2+]C1CC1 234246424 571861188 /nfs/dbraw/zinc/86/11/88/571861188.db2.gz AILCOMPSKKPGLA-UHFFFAOYSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@@H]1C[C@H]1[N@@H+]1CC[C@@H]([NH2+]C)C1 233935086 571861923 /nfs/dbraw/zinc/86/19/23/571861923.db2.gz CMHIOCORBYDLFO-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP CC[C@@H]1C[C@H]1[N@H+]1CC[C@@H]([NH2+]C)C1 233935086 571861929 /nfs/dbraw/zinc/86/19/29/571861929.db2.gz CMHIOCORBYDLFO-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP CC[N@@H+]1CC[C@H]1C[NH2+]CCC(C)C 712613503 571862149 /nfs/dbraw/zinc/86/21/49/571862149.db2.gz HQWODPWQWIXELD-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+]1CC[C@H]1C[NH2+]CCC(C)C 712613503 571862150 /nfs/dbraw/zinc/86/21/50/571862150.db2.gz HQWODPWQWIXELD-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]([NH3+])[C@@H]([NH3+])c1ccc(F)cc1 38942410 571863246 /nfs/dbraw/zinc/86/32/46/571863246.db2.gz DLHWAMGLQXPUOE-IMTBSYHQSA-N 2 2 168.215 1.173 10 0 ADAELP [NH3+]CC1([NH+]2CCC(CF)CC2)CC1 689383221 571865181 /nfs/dbraw/zinc/86/51/81/571865181.db2.gz APWVXTFLCIPNHX-UHFFFAOYSA-N 2 2 186.274 1.159 10 0 ADAELP Cc1cccc2c1[nH+]c(C)n2CC[NH3+] 214575387 571872187 /nfs/dbraw/zinc/87/21/87/571872187.db2.gz GBVMRIGOMBZNNM-UHFFFAOYSA-N 2 2 189.262 1.612 10 0 ADAELP CCCC[N@H+](CC)CC(N)=[NH2+] 39018738 571870461 /nfs/dbraw/zinc/87/04/61/571870461.db2.gz WOHWNLFUCLJDEI-UHFFFAOYSA-N 2 2 157.261 1.044 10 0 ADAELP CCCC[N@@H+](CC)CC(N)=[NH2+] 39018738 571870463 /nfs/dbraw/zinc/87/04/63/571870463.db2.gz WOHWNLFUCLJDEI-UHFFFAOYSA-N 2 2 157.261 1.044 10 0 ADAELP Cc1ccc2[nH+]c(C)n(CC[NH3+])c2c1 214575225 571870865 /nfs/dbraw/zinc/87/08/65/571870865.db2.gz OYFIXQSNWKTRHT-UHFFFAOYSA-N 2 2 189.262 1.612 10 0 ADAELP Cc1ccc2c(c1)[nH+]c(C)n2CC[NH3+] 214575305 571871358 /nfs/dbraw/zinc/87/13/58/571871358.db2.gz DRIDHQTZAREUBU-UHFFFAOYSA-N 2 2 189.262 1.612 10 0 ADAELP C[NH2+]CC[N@H+](C)C[C@H](C)CSC 300752501 571877689 /nfs/dbraw/zinc/87/76/89/571877689.db2.gz HTQCDCFBYBHTLC-VIFPVBQESA-N 2 2 190.356 1.137 10 0 ADAELP C[NH2+]CC[N@@H+](C)C[C@H](C)CSC 300752501 571877691 /nfs/dbraw/zinc/87/76/91/571877691.db2.gz HTQCDCFBYBHTLC-VIFPVBQESA-N 2 2 190.356 1.137 10 0 ADAELP C[NH2+]CC[N@H+](C)C[C@@H](C)CSC 300752500 571877900 /nfs/dbraw/zinc/87/79/00/571877900.db2.gz HTQCDCFBYBHTLC-SECBINFHSA-N 2 2 190.356 1.137 10 0 ADAELP C[NH2+]CC[N@@H+](C)C[C@@H](C)CSC 300752500 571877904 /nfs/dbraw/zinc/87/79/04/571877904.db2.gz HTQCDCFBYBHTLC-SECBINFHSA-N 2 2 190.356 1.137 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H]1CCC[C@H]1[NH2+]C 249804222 571879282 /nfs/dbraw/zinc/87/92/82/571879282.db2.gz DIEPZTFEISPFPL-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H]1CCC[C@H]1[NH2+]C 249804222 571879288 /nfs/dbraw/zinc/87/92/88/571879288.db2.gz DIEPZTFEISPFPL-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[N@H+](CC2(C)CC2)CCC[NH2+]1 233941137 571879987 /nfs/dbraw/zinc/87/99/87/571879987.db2.gz CDCBMPDKCXDOCN-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1C[N@@H+](CC2(C)CC2)CCC[NH2+]1 233941137 571879990 /nfs/dbraw/zinc/87/99/90/571879990.db2.gz CDCBMPDKCXDOCN-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@H+](CC1CC1)[C@H]1CCC[C@H]1[NH2+]C 249804221 571880282 /nfs/dbraw/zinc/88/02/82/571880282.db2.gz DIEPZTFEISPFPL-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H]1CCC[C@H]1[NH2+]C 249804221 571880283 /nfs/dbraw/zinc/88/02/83/571880283.db2.gz DIEPZTFEISPFPL-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C)C[C@H](C(N)=[NH2+])C(F)(F)F 300028834 571884157 /nfs/dbraw/zinc/88/41/57/571884157.db2.gz GJJMXQJGWNTJNE-RXMQYKEDSA-N 2 2 197.204 1.053 10 0 ADAELP CC[N@@H+](C)C[C@H](C(N)=[NH2+])C(F)(F)F 300028834 571884159 /nfs/dbraw/zinc/88/41/59/571884159.db2.gz GJJMXQJGWNTJNE-RXMQYKEDSA-N 2 2 197.204 1.053 10 0 ADAELP CCC[C@@H](C)[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503713 571884701 /nfs/dbraw/zinc/88/47/01/571884701.db2.gz YXJMVPUQEVPPIQ-ZJUUUORDSA-N 2 2 195.310 1.976 10 0 ADAELP C[NH2+]CC[NH+]1CCC(SC)CC1 300758821 571885184 /nfs/dbraw/zinc/88/51/84/571885184.db2.gz LGQQXSCSBDOBAD-UHFFFAOYSA-N 2 2 188.340 1.033 10 0 ADAELP CC[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[NH2+]1 300054730 571888847 /nfs/dbraw/zinc/88/88/47/571888847.db2.gz DJCXELSRZGBVJO-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@@H+](C)C[C@H]1CCC[NH2+]1 300054730 571888849 /nfs/dbraw/zinc/88/88/49/571888849.db2.gz DJCXELSRZGBVJO-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](CC1=CCCC1)C[NH+]1CCC1 400481887 571889060 /nfs/dbraw/zinc/88/90/60/571889060.db2.gz WYLSLGKTXHAMFI-GFCCVEGCSA-N 2 2 194.322 1.781 10 0 ADAELP CC[C@@H](C1CC1)[N@H+](C)C[C@H]1CCC[NH2+]1 300054729 571889119 /nfs/dbraw/zinc/88/91/19/571889119.db2.gz DJCXELSRZGBVJO-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCC[NH2+]1 300054729 571889122 /nfs/dbraw/zinc/88/91/22/571889122.db2.gz DJCXELSRZGBVJO-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C[C@H]1CCC[NH2+]1)[C@H](C)C1CC1 300058236 571892430 /nfs/dbraw/zinc/89/24/30/571892430.db2.gz WGRVYUZEXPOFJY-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C[C@H]1CCC[NH2+]1)[C@H](C)C1CC1 300058236 571892432 /nfs/dbraw/zinc/89/24/32/571892432.db2.gz WGRVYUZEXPOFJY-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C[C@@H]1CCC[NH2+]1)[C@H](C)C1CC1 300058235 571892773 /nfs/dbraw/zinc/89/27/73/571892773.db2.gz WGRVYUZEXPOFJY-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C[C@@H]1CCC[NH2+]1)[C@H](C)C1CC1 300058235 571892777 /nfs/dbraw/zinc/89/27/77/571892777.db2.gz WGRVYUZEXPOFJY-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+]C1CCC(Cc2c[nH]c[nH+]2)CC1 196393432 571893505 /nfs/dbraw/zinc/89/35/05/571893505.db2.gz PEPGGYAUVDOJHO-UHFFFAOYSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+]C1CCC(Cc2c[nH+]c[nH]2)CC1 196393432 571893509 /nfs/dbraw/zinc/89/35/09/571893509.db2.gz PEPGGYAUVDOJHO-UHFFFAOYSA-N 2 2 179.267 1.470 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H]1CCC[NH2+]1 400504736 571899452 /nfs/dbraw/zinc/89/94/52/571899452.db2.gz HFOSVVJUWQANHN-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)[C@H](C)[C@@H]1CCC[NH2+]1 400504736 571899453 /nfs/dbraw/zinc/89/94/53/571899453.db2.gz HFOSVVJUWQANHN-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP [NH3+][C@H]1CCC[C@H](Cc2c[nH]c[nH+]2)C1 39133099 571899454 /nfs/dbraw/zinc/89/94/54/571899454.db2.gz RUTVBNZKTLLLAP-IUCAKERBSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@H]1CCC[C@H](Cc2c[nH+]c[nH]2)C1 39133099 571899455 /nfs/dbraw/zinc/89/94/55/571899455.db2.gz RUTVBNZKTLLLAP-IUCAKERBSA-N 2 2 179.267 1.470 10 0 ADAELP C/C(=C/CC[NH3+])Cc1cc[nH+]c(N)c1 211596575 571893851 /nfs/dbraw/zinc/89/38/51/571893851.db2.gz JWYXDAKHYVYNGM-OQFOIZHKSA-N 2 2 191.278 1.501 10 0 ADAELP CCC[N@H+](C)CCc1c[nH]c[nH+]1 39082423 571894621 /nfs/dbraw/zinc/89/46/21/571894621.db2.gz NXYSHDOQGYUPCO-UHFFFAOYSA-N 2 2 167.256 1.294 10 0 ADAELP CCC[N@@H+](C)CCc1c[nH]c[nH+]1 39082423 571894624 /nfs/dbraw/zinc/89/46/24/571894624.db2.gz NXYSHDOQGYUPCO-UHFFFAOYSA-N 2 2 167.256 1.294 10 0 ADAELP CC(C)(C)C[C@H]([NH3+])C[NH+]1CCC1 401242246 571894690 /nfs/dbraw/zinc/89/46/90/571894690.db2.gz WEXUZKWZQGLEME-VIFPVBQESA-N 2 2 170.300 1.456 10 0 ADAELP Cc1[nH]c([C@@H]2CCCC[NH2+]2)c(C)[nH+]1 39132707 571899513 /nfs/dbraw/zinc/89/95/13/571899513.db2.gz AVYXJEBRWAZCQB-VIFPVBQESA-N 2 2 179.267 1.841 10 0 ADAELP CCCCn1c[nH+]c(CC[NH3+])c1 39082363 571895007 /nfs/dbraw/zinc/89/50/07/571895007.db2.gz KMDLDHUROHNPJS-UHFFFAOYSA-N 2 2 167.256 1.184 10 0 ADAELP CC[NH2+][C@H](C)[C@@H](F)[C@H]1CCCC[NH2+]1 300057361 571895118 /nfs/dbraw/zinc/89/51/18/571895118.db2.gz OVVXZABPZOJSGF-OPRDCNLKSA-N 2 2 188.290 1.465 10 0 ADAELP CC[NH2+][C@H](C)[C@H](F)[C@H]1CCCC[NH2+]1 300057360 571895461 /nfs/dbraw/zinc/89/54/61/571895461.db2.gz OVVXZABPZOJSGF-BBBLOLIVSA-N 2 2 188.290 1.465 10 0 ADAELP CC(C)(C)C[C@@H]([NH3+])C[NH+]1CCC1 401242244 571896070 /nfs/dbraw/zinc/89/60/70/571896070.db2.gz WEXUZKWZQGLEME-SECBINFHSA-N 2 2 170.300 1.456 10 0 ADAELP C[C@@H]([NH3+])Cc1nc(C[NH+](C)C)cs1 32009818 571898039 /nfs/dbraw/zinc/89/80/39/571898039.db2.gz JFMSXZCOEOJCJA-SSDOTTSWSA-N 2 2 199.323 1.094 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1Cc1c[nH]c[nH+]1 39133155 571899039 /nfs/dbraw/zinc/89/90/39/571899039.db2.gz RCVVNLIFACRIKQ-WCBMZHEXSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1Cc1c[nH+]c[nH]1 39133155 571899045 /nfs/dbraw/zinc/89/90/45/571899045.db2.gz RCVVNLIFACRIKQ-WCBMZHEXSA-N 2 2 179.267 1.470 10 0 ADAELP Cc1[nH]c(C)c([C@@H]2CCC[NH2+]C2)[nH+]1 39132673 571899103 /nfs/dbraw/zinc/89/91/03/571899103.db2.gz VQTWEZMZOWDHQF-SECBINFHSA-N 2 2 179.267 1.494 10 0 ADAELP CC(C)(C)c1[nH+]c[nH]c1CC[NH3+] 39133104 571899175 /nfs/dbraw/zinc/89/91/75/571899175.db2.gz DILAAXAOZPBFDJ-UHFFFAOYSA-N 2 2 167.256 1.208 10 0 ADAELP [NH3+][C@H]1CCCC[C@@H]1Cc1c[nH]c[nH+]1 39133154 571899384 /nfs/dbraw/zinc/89/93/84/571899384.db2.gz RCVVNLIFACRIKQ-SCZZXKLOSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@H]1CCCC[C@@H]1Cc1c[nH+]c[nH]1 39133154 571899387 /nfs/dbraw/zinc/89/93/87/571899387.db2.gz RCVVNLIFACRIKQ-SCZZXKLOSA-N 2 2 179.267 1.470 10 0 ADAELP Cc1c[nH]c([C@H]2CCC[C@@H]2[NH3+])[nH+]1 39132722 571899814 /nfs/dbraw/zinc/89/98/14/571899814.db2.gz GNHDTODMYBAOGT-YUMQZZPRSA-N 2 2 165.240 1.313 10 0 ADAELP Cc1c[nH]c([C@@H]2CCCC[C@@H]2[NH3+])[nH+]1 39132683 571899843 /nfs/dbraw/zinc/89/98/43/571899843.db2.gz VZSSPULJIRREIU-BDAKNGLRSA-N 2 2 179.267 1.703 10 0 ADAELP C[C@H](CC(F)F)[NH2+]CC[NH+](C)C 393337304 571900114 /nfs/dbraw/zinc/90/01/14/571900114.db2.gz KRWVOQNQUZOJQY-SSDOTTSWSA-N 2 2 180.242 1.181 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1c1[nH]cc[nH+]1 39132717 571900171 /nfs/dbraw/zinc/90/01/71/571900171.db2.gz HCLNWCTUEOUNMB-JGVFFNPUSA-N 2 2 165.240 1.395 10 0 ADAELP Cc1c[nH]c([C@H]2CCC[C@H]2[NH3+])[nH+]1 39132724 571900457 /nfs/dbraw/zinc/90/04/57/571900457.db2.gz GNHDTODMYBAOGT-JGVFFNPUSA-N 2 2 165.240 1.313 10 0 ADAELP [NH3+][C@H]1CCCC[C@@H]1c1[nH]cc[nH+]1 39132715 571900313 /nfs/dbraw/zinc/90/03/13/571900313.db2.gz HCLNWCTUEOUNMB-YUMQZZPRSA-N 2 2 165.240 1.395 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H](Cc2c[nH]c[nH+]2)C1 39133100 571900320 /nfs/dbraw/zinc/90/03/20/571900320.db2.gz RUTVBNZKTLLLAP-RKDXNWHRSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H](Cc2c[nH+]c[nH]2)C1 39133100 571900323 /nfs/dbraw/zinc/90/03/23/571900323.db2.gz RUTVBNZKTLLLAP-RKDXNWHRSA-N 2 2 179.267 1.470 10 0 ADAELP Cc1c[nH]c([C@@H]2CCC[C@H]2[NH3+])[nH+]1 39132723 571900355 /nfs/dbraw/zinc/90/03/55/571900355.db2.gz GNHDTODMYBAOGT-HTQZYQBOSA-N 2 2 165.240 1.313 10 0 ADAELP Cc1c[nH+]c([C@H]2CC[C@H]([NH3+])C2)[nH]1 39132667 571900380 /nfs/dbraw/zinc/90/03/80/571900380.db2.gz YQIIXUZZWGAHCU-YUMQZZPRSA-N 2 2 165.240 1.313 10 0 ADAELP Cc1c[nH+]c([C@H]2CC[C@@H]([NH3+])C2)[nH]1 39132669 571900390 /nfs/dbraw/zinc/90/03/90/571900390.db2.gz YQIIXUZZWGAHCU-JGVFFNPUSA-N 2 2 165.240 1.313 10 0 ADAELP Cc1c[nH+]c([C@@H]2CC[C@@H]([NH3+])C2)[nH]1 39132668 571900419 /nfs/dbraw/zinc/90/04/19/571900419.db2.gz YQIIXUZZWGAHCU-HTQZYQBOSA-N 2 2 165.240 1.313 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1c1[nH]cc[nH+]1 39132716 571900554 /nfs/dbraw/zinc/90/05/54/571900554.db2.gz HCLNWCTUEOUNMB-HTQZYQBOSA-N 2 2 165.240 1.395 10 0 ADAELP Cc1c[nH]c([C@@H]2CCCC[C@H]2[NH3+])[nH+]1 39132685 571900565 /nfs/dbraw/zinc/90/05/65/571900565.db2.gz VZSSPULJIRREIU-RKDXNWHRSA-N 2 2 179.267 1.703 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+](C)C[C@H]1C[C@H]1C 400504737 571900578 /nfs/dbraw/zinc/90/05/78/571900578.db2.gz HFOSVVJUWQANHN-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+](C)C[C@H]1C[C@H]1C 400504737 571900581 /nfs/dbraw/zinc/90/05/81/571900581.db2.gz HFOSVVJUWQANHN-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP [NH3+][C@@H]1CCC[C@H](Cc2c[nH]c[nH+]2)C1 39133101 571900725 /nfs/dbraw/zinc/90/07/25/571900725.db2.gz RUTVBNZKTLLLAP-DTWKUNHWSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@@H]1CCC[C@H](Cc2c[nH+]c[nH]2)C1 39133101 571900729 /nfs/dbraw/zinc/90/07/29/571900729.db2.gz RUTVBNZKTLLLAP-DTWKUNHWSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@H]1CCCC[C@H]1Cc1c[nH]c[nH+]1 39133153 571900737 /nfs/dbraw/zinc/90/07/37/571900737.db2.gz RCVVNLIFACRIKQ-WPRPVWTQSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@H]1CCCC[C@H]1Cc1c[nH+]c[nH]1 39133153 571900740 /nfs/dbraw/zinc/90/07/40/571900740.db2.gz RCVVNLIFACRIKQ-WPRPVWTQSA-N 2 2 179.267 1.470 10 0 ADAELP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+](C)C[C@H]1C[C@H]1C 400504738 571900832 /nfs/dbraw/zinc/90/08/32/571900832.db2.gz HFOSVVJUWQANHN-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+](C)C[C@H]1C[C@H]1C 400504738 571900835 /nfs/dbraw/zinc/90/08/35/571900835.db2.gz HFOSVVJUWQANHN-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP CCC1(CC)CCC[N@H+](CC(N)=[NH2+])C1 689215877 571900973 /nfs/dbraw/zinc/90/09/73/571900973.db2.gz MEERXIRNQMQKBT-UHFFFAOYSA-N 2 2 197.326 1.825 10 0 ADAELP CCC1(CC)CCC[N@@H+](CC(N)=[NH2+])C1 689215877 571900976 /nfs/dbraw/zinc/90/09/76/571900976.db2.gz MEERXIRNQMQKBT-UHFFFAOYSA-N 2 2 197.326 1.825 10 0 ADAELP [NH3+][C@H]1CCCC[C@H]1c1[nH]cc[nH+]1 39132714 571901068 /nfs/dbraw/zinc/90/10/68/571901068.db2.gz HCLNWCTUEOUNMB-SFYZADRCSA-N 2 2 165.240 1.395 10 0 ADAELP Cc1c[nH]c([C@H]2CCCC[C@@H]2[NH3+])[nH+]1 39132684 571901097 /nfs/dbraw/zinc/90/10/97/571901097.db2.gz VZSSPULJIRREIU-IUCAKERBSA-N 2 2 179.267 1.703 10 0 ADAELP Cc1c[nH+]c([C@@H]2CC[C@H]([NH3+])C2)[nH]1 39132666 571901151 /nfs/dbraw/zinc/90/11/51/571901151.db2.gz YQIIXUZZWGAHCU-SFYZADRCSA-N 2 2 165.240 1.313 10 0 ADAELP Cc1[nH]c(C)c([C@H]2CCC[NH2+]C2)[nH+]1 39132674 571901187 /nfs/dbraw/zinc/90/11/87/571901187.db2.gz VQTWEZMZOWDHQF-VIFPVBQESA-N 2 2 179.267 1.494 10 0 ADAELP [NH3+][C@H]1CCC[C@@H](Cc2c[nH]c[nH+]2)C1 39133098 571901203 /nfs/dbraw/zinc/90/12/03/571901203.db2.gz RUTVBNZKTLLLAP-BDAKNGLRSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@H]1CCC[C@@H](Cc2c[nH+]c[nH]2)C1 39133098 571901208 /nfs/dbraw/zinc/90/12/08/571901208.db2.gz RUTVBNZKTLLLAP-BDAKNGLRSA-N 2 2 179.267 1.470 10 0 ADAELP Cc1[nH]c([C@H]2CCCC[NH2+]2)c(C)[nH+]1 39132708 571901360 /nfs/dbraw/zinc/90/13/60/571901360.db2.gz AVYXJEBRWAZCQB-SECBINFHSA-N 2 2 179.267 1.841 10 0 ADAELP Cc1c[nH]c([C@@H]2CCC[C@@H]2[NH3+])[nH+]1 39132721 571901544 /nfs/dbraw/zinc/90/15/44/571901544.db2.gz GNHDTODMYBAOGT-SFYZADRCSA-N 2 2 165.240 1.313 10 0 ADAELP Cc1c[nH]c([C@H]2CCCC[C@H]2[NH3+])[nH+]1 39132686 571901739 /nfs/dbraw/zinc/90/17/39/571901739.db2.gz VZSSPULJIRREIU-DTWKUNHWSA-N 2 2 179.267 1.703 10 0 ADAELP C[C@@H]1c2ccccc2[C@H]([NH3+])[C@@H]1[NH3+] 39135997 571902398 /nfs/dbraw/zinc/90/23/98/571902398.db2.gz SFNDECOFAHQSIF-DRTBCBBWSA-N 2 2 162.236 1.131 10 0 ADAELP C[C@@H](CC(F)F)[NH2+]CC[NH+](C)C 393337305 571902151 /nfs/dbraw/zinc/90/21/51/571902151.db2.gz KRWVOQNQUZOJQY-ZETCQYMHSA-N 2 2 180.242 1.181 10 0 ADAELP C[C@@H]1c2ccccc2[C@@H]([NH3+])[C@@H]1[NH3+] 39135999 571902307 /nfs/dbraw/zinc/90/23/07/571902307.db2.gz SFNDECOFAHQSIF-BDODKLCJSA-N 2 2 162.236 1.131 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CC1(C)C 235439470 571903320 /nfs/dbraw/zinc/90/33/20/571903320.db2.gz WJPAGGGIOMALFG-NXEZZACHSA-N 2 2 184.327 1.572 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1Cc1c[nH]c[nH+]1 39136845 571903801 /nfs/dbraw/zinc/90/38/01/571903801.db2.gz RCVVNLIFACRIKQ-PSASIEDQSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1Cc1c[nH+]c[nH]1 39136845 571903806 /nfs/dbraw/zinc/90/38/06/571903806.db2.gz RCVVNLIFACRIKQ-PSASIEDQSA-N 2 2 179.267 1.470 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+]CCC(C)(F)F 393337458 571904153 /nfs/dbraw/zinc/90/41/53/571904153.db2.gz ZLWMVQVLGPZXLZ-QMMMGPOBSA-N 2 2 194.269 1.571 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]CCC(C)(F)F 393337456 571905629 /nfs/dbraw/zinc/90/56/29/571905629.db2.gz ZLWMVQVLGPZXLZ-MRVPVSSYSA-N 2 2 194.269 1.571 10 0 ADAELP CC[C@@H]([NH3+])[C@@H]([NH3+])c1ccccc1 39184810 571905901 /nfs/dbraw/zinc/90/59/01/571905901.db2.gz UAPMHEYCIXSVSK-ZJUUUORDSA-N 2 2 164.252 1.424 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+](C)CCCSC 300770174 571907584 /nfs/dbraw/zinc/90/75/84/571907584.db2.gz QCEBGBFPGRKVRR-VIFPVBQESA-N 2 2 190.356 1.279 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+](C)CCCSC 300770174 571907587 /nfs/dbraw/zinc/90/75/87/571907587.db2.gz QCEBGBFPGRKVRR-VIFPVBQESA-N 2 2 190.356 1.279 10 0 ADAELP CC[N@H+](CC[NH3+])[C@H](C)c1ccc(C)o1 300770532 571908488 /nfs/dbraw/zinc/90/84/88/571908488.db2.gz CQHHEFMDYHSYQQ-SNVBAGLBSA-N 2 2 196.294 1.930 10 0 ADAELP CC[N@@H+](CC[NH3+])[C@H](C)c1ccc(C)o1 300770532 571908489 /nfs/dbraw/zinc/90/84/89/571908489.db2.gz CQHHEFMDYHSYQQ-SNVBAGLBSA-N 2 2 196.294 1.930 10 0 ADAELP C[NH2+]CC(C)(C)[NH+]1CCC(F)CC1 689387048 571908672 /nfs/dbraw/zinc/90/86/72/571908672.db2.gz WYLMCGSKTPVVJS-UHFFFAOYSA-N 2 2 188.290 1.418 10 0 ADAELP CC(C)=CC[NH2+][C@H](C)C[NH+](C)C 235437361 571908884 /nfs/dbraw/zinc/90/88/84/571908884.db2.gz IKQOSZYMPYWYSX-SNVBAGLBSA-N 2 2 170.300 1.492 10 0 ADAELP CC(C)=CC[NH2+]C[C@@H](C)[NH+](C)C 235447661 571909405 /nfs/dbraw/zinc/90/94/05/571909405.db2.gz NSVGWUDUILYYRY-SNVBAGLBSA-N 2 2 170.300 1.492 10 0 ADAELP CC[N@H+](CC[NH3+])[C@@H](C)c1ccc(C)o1 300770531 571909421 /nfs/dbraw/zinc/90/94/21/571909421.db2.gz CQHHEFMDYHSYQQ-JTQLQIEISA-N 2 2 196.294 1.930 10 0 ADAELP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(C)o1 300770531 571909424 /nfs/dbraw/zinc/90/94/24/571909424.db2.gz CQHHEFMDYHSYQQ-JTQLQIEISA-N 2 2 196.294 1.930 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@H]1C=CCCC1 235447403 571909889 /nfs/dbraw/zinc/90/98/89/571909889.db2.gz NATCOYBIBVPCJK-MNOVXSKESA-N 2 2 182.311 1.635 10 0 ADAELP C[NH2+][C@H](C)C[N@H+](C)CCCSC 300770173 571909972 /nfs/dbraw/zinc/90/99/72/571909972.db2.gz QCEBGBFPGRKVRR-SECBINFHSA-N 2 2 190.356 1.279 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+](C)CCCSC 300770173 571909981 /nfs/dbraw/zinc/90/99/81/571909981.db2.gz QCEBGBFPGRKVRR-SECBINFHSA-N 2 2 190.356 1.279 10 0 ADAELP CCCCC[C@H](C[NH3+])[NH+]1CCC1 393337767 571910415 /nfs/dbraw/zinc/91/04/15/571910415.db2.gz MMRLQGANKOCOOK-SNVBAGLBSA-N 2 2 170.300 1.600 10 0 ADAELP CCCCn1cc[nH+]c1C[C@H](C)[NH3+] 22861738 571910830 /nfs/dbraw/zinc/91/08/30/571910830.db2.gz AAHMVBUIBMANCG-VIFPVBQESA-N 2 2 181.283 1.573 10 0 ADAELP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC1 235455042 571911703 /nfs/dbraw/zinc/91/17/03/571911703.db2.gz DDXLLJBDTTWEBA-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)([NH3+])[C@H]([NH3+])c1ccccc1 39234754 571911899 /nfs/dbraw/zinc/91/18/99/571911899.db2.gz APWWHFQYOHQBBO-SECBINFHSA-N 2 2 164.252 1.424 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C=CCCC1 235448965 571911917 /nfs/dbraw/zinc/91/19/17/571911917.db2.gz NATCOYBIBVPCJK-GHMZBOCLSA-N 2 2 182.311 1.635 10 0 ADAELP CCCCn1cc[nH+]c1C[C@@H](C)[NH3+] 22861733 571912348 /nfs/dbraw/zinc/91/23/48/571912348.db2.gz AAHMVBUIBMANCG-SECBINFHSA-N 2 2 181.283 1.573 10 0 ADAELP CCCCC[C@@H](C[NH3+])[NH+]1CCC1 393337766 571912503 /nfs/dbraw/zinc/91/25/03/571912503.db2.gz MMRLQGANKOCOOK-JTQLQIEISA-N 2 2 170.300 1.600 10 0 ADAELP C[C@H]([NH3+])[C@@H]([NH3+])c1ccccc1 39234752 571912684 /nfs/dbraw/zinc/91/26/84/571912684.db2.gz PRCXGQJVEKZKQR-IONNQARKSA-N 2 2 150.225 1.034 10 0 ADAELP CC(C)([NH3+])[C@@H]([NH3+])c1ccccc1 39234755 571913509 /nfs/dbraw/zinc/91/35/09/571913509.db2.gz APWWHFQYOHQBBO-VIFPVBQESA-N 2 2 164.252 1.424 10 0 ADAELP C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)o1 235455309 571914077 /nfs/dbraw/zinc/91/40/77/571914077.db2.gz QZXMCWZEDBWEHU-ZCFIWIBFSA-N 2 2 188.658 1.370 10 0 ADAELP C[NH2+]C[C@H](C)C[N@H+](C)C/C=C/Cl 234378986 571914857 /nfs/dbraw/zinc/91/48/57/571914857.db2.gz KOXIWHRWGYPXQQ-MOVJSRMASA-N 2 2 190.718 1.526 10 0 ADAELP C[NH2+]C[C@H](C)C[N@@H+](C)C/C=C/Cl 234378986 571914858 /nfs/dbraw/zinc/91/48/58/571914858.db2.gz KOXIWHRWGYPXQQ-MOVJSRMASA-N 2 2 190.718 1.526 10 0 ADAELP C[C@H]([NH2+][C@H](C)C[NH3+])c1ccccn1 235459483 571915556 /nfs/dbraw/zinc/91/55/56/571915556.db2.gz MMVHPSFNAUUVHJ-BDAKNGLRSA-N 2 2 179.267 1.079 10 0 ADAELP Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C[NH3+] 235458988 571915575 /nfs/dbraw/zinc/91/55/75/571915575.db2.gz QXSTVTAVCNGYBD-RQJHMYQMSA-N 2 2 197.282 1.289 10 0 ADAELP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccnc1 235462580 571915740 /nfs/dbraw/zinc/91/57/40/571915740.db2.gz FEFPTKIDFMDBOS-RKDXNWHRSA-N 2 2 179.267 1.079 10 0 ADAELP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccn1 235462559 571916061 /nfs/dbraw/zinc/91/60/61/571916061.db2.gz MMVHPSFNAUUVHJ-RKDXNWHRSA-N 2 2 179.267 1.079 10 0 ADAELP Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)C[NH3+] 235461858 571917014 /nfs/dbraw/zinc/91/70/14/571917014.db2.gz QXSTVTAVCNGYBD-RNFRBKRXSA-N 2 2 197.282 1.289 10 0 ADAELP C[C@@H]1CCC[C@@H]2CCC[NH2+]C[N@H+]12 39277259 571918904 /nfs/dbraw/zinc/91/89/04/571918904.db2.gz APQGXOQMSWAUOG-NXEZZACHSA-N 2 2 168.284 1.570 10 0 ADAELP C[C@@H]1CCC[C@@H]2CCC[NH2+]C[N@@H+]12 39277259 571918905 /nfs/dbraw/zinc/91/89/05/571918905.db2.gz APQGXOQMSWAUOG-NXEZZACHSA-N 2 2 168.284 1.570 10 0 ADAELP C[C@H](C[NH2+][C@@H]1C=CCCC1)[NH+](C)C 235482082 571919169 /nfs/dbraw/zinc/91/91/69/571919169.db2.gz LTLMHVCAFZMABH-GHMZBOCLSA-N 2 2 182.311 1.635 10 0 ADAELP C[C@H]1CCC[C@H]2CCC[NH2+]C[N@H+]12 39277257 571919709 /nfs/dbraw/zinc/91/97/09/571919709.db2.gz APQGXOQMSWAUOG-UWVGGRQHSA-N 2 2 168.284 1.570 10 0 ADAELP C[C@H]1CCC[C@H]2CCC[NH2+]C[N@@H+]12 39277257 571919713 /nfs/dbraw/zinc/91/97/13/571919713.db2.gz APQGXOQMSWAUOG-UWVGGRQHSA-N 2 2 168.284 1.570 10 0 ADAELP C[C@@H]1CCC[C@H]2CCC[NH2+]C[N@@H+]21 39277255 571919974 /nfs/dbraw/zinc/91/99/74/571919974.db2.gz APQGXOQMSWAUOG-ZJUUUORDSA-N 2 2 168.284 1.570 10 0 ADAELP C[C@@H]1CCC[C@H]2CCC[NH2+]C[N@H+]21 39277255 571919976 /nfs/dbraw/zinc/91/99/76/571919976.db2.gz APQGXOQMSWAUOG-ZJUUUORDSA-N 2 2 168.284 1.570 10 0 ADAELP C[NH2+]C[C@H](C)CN(C)c1cccc[nH+]1 234383336 571920142 /nfs/dbraw/zinc/92/01/42/571920142.db2.gz ZUKHMAXSAHDLCJ-JTQLQIEISA-N 2 2 193.294 1.373 10 0 ADAELP C[C@H]1CCC[C@@H]2CCC[NH2+]C[N@H+]12 39277261 571920691 /nfs/dbraw/zinc/92/06/91/571920691.db2.gz APQGXOQMSWAUOG-VHSXEESVSA-N 2 2 168.284 1.570 10 0 ADAELP C[C@H]1CCC[C@@H]2CCC[NH2+]C[N@@H+]12 39277261 571920695 /nfs/dbraw/zinc/92/06/95/571920695.db2.gz APQGXOQMSWAUOG-VHSXEESVSA-N 2 2 168.284 1.570 10 0 ADAELP C[C@H](c1c[nH]c[nH+]1)C1CC[NH2+]CC1 139489038 571921306 /nfs/dbraw/zinc/92/13/06/571921306.db2.gz WVQBGNFSRAEVCT-QMMMGPOBSA-N 2 2 179.267 1.513 10 0 ADAELP C[C@H](c1c[nH+]c[nH]1)C1CC[NH2+]CC1 139489038 571921309 /nfs/dbraw/zinc/92/13/09/571921309.db2.gz WVQBGNFSRAEVCT-QMMMGPOBSA-N 2 2 179.267 1.513 10 0 ADAELP C[NH+](C)C[C@@H]([NH3+])C1=CCCCCC1 234268534 571921451 /nfs/dbraw/zinc/92/14/51/571921451.db2.gz MOCVVHGHPRZHOI-LLVKDONJSA-N 2 2 182.311 1.766 10 0 ADAELP CC(C)(C)CCc1[nH]c(C[NH3+])c[nH+]1 300776797 571922698 /nfs/dbraw/zinc/92/26/98/571922698.db2.gz ARXXRSYZLGVDHB-UHFFFAOYSA-N 2 2 181.283 1.847 10 0 ADAELP CC[N@H+](CC[NH3+])[C@H](C)c1ccoc1 300779256 571926184 /nfs/dbraw/zinc/92/61/84/571926184.db2.gz FMPJZZQNVNCEHX-SECBINFHSA-N 2 2 182.267 1.621 10 0 ADAELP CC[N@@H+](CC[NH3+])[C@H](C)c1ccoc1 300779256 571926187 /nfs/dbraw/zinc/92/61/87/571926187.db2.gz FMPJZZQNVNCEHX-SECBINFHSA-N 2 2 182.267 1.621 10 0 ADAELP Cc1[nH]c2cccc(C=CC[NH3+])c2[nH+]1 687680710 571926323 /nfs/dbraw/zinc/92/63/23/571926323.db2.gz VTHURPKSIPURQO-HYXAFXHYSA-N 2 2 187.246 1.843 10 0 ADAELP Cc1[nH]c2c(C=CC[NH3+])cccc2[nH+]1 687680710 571926327 /nfs/dbraw/zinc/92/63/27/571926327.db2.gz VTHURPKSIPURQO-HYXAFXHYSA-N 2 2 187.246 1.843 10 0 ADAELP C[C@@H](C1CC1)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36785210 571927343 /nfs/dbraw/zinc/92/73/43/571927343.db2.gz UYGFERHPXMSJLO-INTQDDNPSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36785210 571927347 /nfs/dbraw/zinc/92/73/47/571927347.db2.gz UYGFERHPXMSJLO-INTQDDNPSA-N 2 2 182.311 1.597 10 0 ADAELP CSCCC[N@H+](C)C1(C[NH3+])CC1 300793650 571927582 /nfs/dbraw/zinc/92/75/82/571927582.db2.gz YXNRDNVOPRISKW-UHFFFAOYSA-N 2 2 188.340 1.163 10 0 ADAELP CSCCC[N@@H+](C)C1(C[NH3+])CC1 300793650 571927586 /nfs/dbraw/zinc/92/75/86/571927586.db2.gz YXNRDNVOPRISKW-UHFFFAOYSA-N 2 2 188.340 1.163 10 0 ADAELP CC1=[NH+][C@@H](C)C[NH2+]C(C)(C)C1 39602781 571932499 /nfs/dbraw/zinc/93/24/99/571932499.db2.gz HVKXPHSUDYCQLQ-QMMMGPOBSA-N 2 2 154.257 1.608 10 0 ADAELP Cn1c[nH+]c2cccc(/C=C\C[NH3+])c21 687680712 571928122 /nfs/dbraw/zinc/92/81/22/571928122.db2.gz XXCIXSMVGYONAC-HYXAFXHYSA-N 2 2 187.246 1.545 10 0 ADAELP CCC(C)(C)C[C@@]1([NH3+])CC[N@H+](C)C1 713130406 571928914 /nfs/dbraw/zinc/92/89/14/571928914.db2.gz OEXIHBUHVVIMNN-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CCC(C)(C)C[C@@]1([NH3+])CC[N@@H+](C)C1 713130406 571928918 /nfs/dbraw/zinc/92/89/18/571928918.db2.gz OEXIHBUHVVIMNN-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CCC(C)(C)C[C@]1([NH3+])CC[N@H+](C)C1 713130402 571929282 /nfs/dbraw/zinc/92/92/82/571929282.db2.gz OEXIHBUHVVIMNN-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP CCC(C)(C)C[C@]1([NH3+])CC[N@@H+](C)C1 713130402 571929285 /nfs/dbraw/zinc/92/92/85/571929285.db2.gz OEXIHBUHVVIMNN-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP c1cn(CC[C@H]2CCC[NH2+]CC2)c[nH+]1 39472519 571930584 /nfs/dbraw/zinc/93/05/84/571930584.db2.gz CIUCFIFQDQIBBW-NSHDSACASA-N 2 2 193.294 1.663 10 0 ADAELP c1cn(CC[C@@H]2CCC[NH2+]CC2)c[nH+]1 39472518 571930778 /nfs/dbraw/zinc/93/07/78/571930778.db2.gz CIUCFIFQDQIBBW-LLVKDONJSA-N 2 2 193.294 1.663 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+](C)CCCSC 300784926 571930840 /nfs/dbraw/zinc/93/08/40/571930840.db2.gz WBLCXXNXOHSLAI-SECBINFHSA-N 2 2 190.356 1.279 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+](C)CCCSC 300784926 571930843 /nfs/dbraw/zinc/93/08/43/571930843.db2.gz WBLCXXNXOHSLAI-SECBINFHSA-N 2 2 190.356 1.279 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC1 235496201 571933754 /nfs/dbraw/zinc/93/37/54/571933754.db2.gz JJUICPHIRIYIGY-MRVPVSSYSA-N 2 2 165.240 1.024 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCC12CCCC2 687898547 571932893 /nfs/dbraw/zinc/93/28/93/571932893.db2.gz KOYDZADCNRCZTP-MRVPVSSYSA-N 2 2 181.283 1.329 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+]1CCC12CCCC2 687898547 571932896 /nfs/dbraw/zinc/93/28/96/571932896.db2.gz KOYDZADCNRCZTP-MRVPVSSYSA-N 2 2 181.283 1.329 10 0 ADAELP CC1=[NH+][C@H](C)C[NH2+]C(C)(C)C1 39602779 571933034 /nfs/dbraw/zinc/93/30/34/571933034.db2.gz HVKXPHSUDYCQLQ-MRVPVSSYSA-N 2 2 154.257 1.608 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC12CCCC2 687898559 571933054 /nfs/dbraw/zinc/93/30/54/571933054.db2.gz KOYDZADCNRCZTP-QMMMGPOBSA-N 2 2 181.283 1.329 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCC12CCCC2 687898559 571933059 /nfs/dbraw/zinc/93/30/59/571933059.db2.gz KOYDZADCNRCZTP-QMMMGPOBSA-N 2 2 181.283 1.329 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C/C=C/Cl 235497730 571933643 /nfs/dbraw/zinc/93/36/43/571933643.db2.gz VBSMXSHQWJTXSF-GKQMSVHHSA-N 2 2 199.685 1.614 10 0 ADAELP Cc1ccc(C[NH2+]CC[NH3+])c(Cl)c1 235776685 571933767 /nfs/dbraw/zinc/93/37/67/571933767.db2.gz BWMZOMHNYYFWKB-UHFFFAOYSA-N 2 2 198.697 1.697 10 0 ADAELP [NH3+]C/C=C\c1ccccc1-n1cc[nH+]c1 687682495 571934098 /nfs/dbraw/zinc/93/40/98/571934098.db2.gz MBWGWRVXJTXHKS-HYXAFXHYSA-N 2 2 199.257 1.844 10 0 ADAELP [NH3+]C/C=C\c1cccc(-n2cc[nH+]c2)c1 687682494 571935568 /nfs/dbraw/zinc/93/55/68/571935568.db2.gz BICMTWFCGHZPMU-RQOWECAXSA-N 2 2 199.257 1.844 10 0 ADAELP CCC[C@@H](C[NH+]1CCC1)[NH2+]C 167807443 571937394 /nfs/dbraw/zinc/93/73/94/571937394.db2.gz NVLRJIFYOJSKBW-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP C[C@H]([NH2+]CC[NH3+])c1ccc(O)cc1F 235504657 571937429 /nfs/dbraw/zinc/93/74/29/571937429.db2.gz HQNXGMGRZSFTJZ-ZETCQYMHSA-N 2 2 198.241 1.141 10 0 ADAELP CC[C@@]1(C[NH+]2CCC2)CCCC[NH2+]1 687684035 571937910 /nfs/dbraw/zinc/93/79/10/571937910.db2.gz OXNBWVPIKPKPPD-NSHDSACASA-N 2 2 182.311 1.614 10 0 ADAELP C[N@H+](C[C@H]1[NH2+]CCCC1(C)C)C1CC1 234297195 571939195 /nfs/dbraw/zinc/93/91/95/571939195.db2.gz IRVOSOOGPOUEQZ-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+](C[C@H]1[NH2+]CCCC1(C)C)C1CC1 234297195 571939196 /nfs/dbraw/zinc/93/91/96/571939196.db2.gz IRVOSOOGPOUEQZ-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@]1(C[NH+]2CCC2)CCCC[NH2+]1 687684034 571939252 /nfs/dbraw/zinc/93/92/52/571939252.db2.gz OXNBWVPIKPKPPD-LLVKDONJSA-N 2 2 182.311 1.614 10 0 ADAELP C[N@@H+](C[C@@H]1[NH2+]CCCC1(C)C)C1CC1 234279619 571939472 /nfs/dbraw/zinc/93/94/72/571939472.db2.gz IRVOSOOGPOUEQZ-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+](C[C@@H]1[NH2+]CCCC1(C)C)C1CC1 234279619 571939466 /nfs/dbraw/zinc/93/94/66/571939466.db2.gz IRVOSOOGPOUEQZ-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+]C1(C[NH3+])CC1)c1ccccc1 235514975 571940097 /nfs/dbraw/zinc/94/00/97/571940097.db2.gz LTYIDIWSRBLZDH-JTQLQIEISA-N 2 2 190.290 1.829 10 0 ADAELP Cc1[nH+]c[nH]c1CC[NH2+]CC1CC1 39133337 571943107 /nfs/dbraw/zinc/94/31/07/571943107.db2.gz NQEIOVKSRQQINR-UHFFFAOYSA-N 2 2 179.267 1.260 10 0 ADAELP Cc1[nH]c[nH+]c1CC[NH2+]CC1CC1 39133337 571943110 /nfs/dbraw/zinc/94/31/10/571943110.db2.gz NQEIOVKSRQQINR-UHFFFAOYSA-N 2 2 179.267 1.260 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@]12CCC[C@@H]1C[NH2+]C2 711317444 571943561 /nfs/dbraw/zinc/94/35/61/571943561.db2.gz HLRREMSSKIVWNC-UTUOFQBUSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@]12CCC[C@@H]1C[NH2+]C2 711317444 571943566 /nfs/dbraw/zinc/94/35/66/571943566.db2.gz HLRREMSSKIVWNC-UTUOFQBUSA-N 2 2 194.322 1.613 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH+]2CCC1CC2 334419766 571945190 /nfs/dbraw/zinc/94/51/90/571945190.db2.gz QFRTURCVVQAINL-UHFFFAOYSA-N 2 2 196.338 1.813 10 0 ADAELP CC(C)CC[N@H+]1CC[NH+]2CCC1CC2 334419766 571945193 /nfs/dbraw/zinc/94/51/93/571945193.db2.gz QFRTURCVVQAINL-UHFFFAOYSA-N 2 2 196.338 1.813 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@]12CCC[C@H]1C[NH2+]C2 711317445 571945656 /nfs/dbraw/zinc/94/56/56/571945656.db2.gz HLRREMSSKIVWNC-WOPDTQHZSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@]12CCC[C@H]1C[NH2+]C2 711317445 571945659 /nfs/dbraw/zinc/94/56/59/571945659.db2.gz HLRREMSSKIVWNC-WOPDTQHZSA-N 2 2 194.322 1.613 10 0 ADAELP Cc1ccn2c(CC[NH3+])c(C)[nH+]c2c1 11570147 571946058 /nfs/dbraw/zinc/94/60/58/571946058.db2.gz YGIPCPQFWGLFHZ-UHFFFAOYSA-N 2 2 189.262 1.452 10 0 ADAELP CCn1c[nH+]c([C@H]2CCC[NH2+]CC2)c1 687686922 571946431 /nfs/dbraw/zinc/94/64/31/571946431.db2.gz BSBWEOVDNKLGFH-JTQLQIEISA-N 2 2 193.294 1.760 10 0 ADAELP Cc1cc(Cl)ccc1C[NH2+]CC[NH3+] 235790976 571946463 /nfs/dbraw/zinc/94/64/63/571946463.db2.gz ZZIMAAKBVADJBR-UHFFFAOYSA-N 2 2 198.697 1.697 10 0 ADAELP Cc1[nH+]c2cccc(C)n2c1CC[NH3+] 11570175 571946979 /nfs/dbraw/zinc/94/69/79/571946979.db2.gz LSTHNAARHWCECB-UHFFFAOYSA-N 2 2 189.262 1.452 10 0 ADAELP Cc1cc[nH+]cc1Nc1[nH]cc[nH+]1 235791312 571947372 /nfs/dbraw/zinc/94/73/72/571947372.db2.gz MMNZBDARVFQBHP-UHFFFAOYSA-N 2 2 174.207 1.857 10 0 ADAELP C[NH2+][C@H](CCCC(F)F)C[NH+](C)C 687902555 571947436 /nfs/dbraw/zinc/94/74/36/571947436.db2.gz DVVHAVYIHVIRJA-MRVPVSSYSA-N 2 2 194.269 1.571 10 0 ADAELP C[NH2+][C@@H](CCCC(F)F)C[NH+](C)C 687902556 571947627 /nfs/dbraw/zinc/94/76/27/571947627.db2.gz DVVHAVYIHVIRJA-QMMMGPOBSA-N 2 2 194.269 1.571 10 0 ADAELP Cc1cc[nH+]cc1Nc1[nH+]ccn1C 235791444 571947681 /nfs/dbraw/zinc/94/76/81/571947681.db2.gz MOXQNQISRPHYBZ-UHFFFAOYSA-N 2 2 188.234 1.867 10 0 ADAELP CCn1c[nH+]c([C@@H]2CCC[NH2+]CC2)c1 687686923 571947944 /nfs/dbraw/zinc/94/79/44/571947944.db2.gz BSBWEOVDNKLGFH-SNVBAGLBSA-N 2 2 193.294 1.760 10 0 ADAELP [NH3+][C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 140512037 571947952 /nfs/dbraw/zinc/94/79/52/571947952.db2.gz XLEMKOKQELMXDD-NWDGAFQWSA-N 2 2 190.290 1.829 10 0 ADAELP Cc1[nH+]c2ccccn2c1CC[NH3+] 11570119 571948238 /nfs/dbraw/zinc/94/82/38/571948238.db2.gz MJCSEYHIVVOVRA-UHFFFAOYSA-N 2 2 175.235 1.144 10 0 ADAELP C[N@H+](C[C@@H]1CCC[NH2+]1)[C@@H]1C=CCCC1 234303557 571949721 /nfs/dbraw/zinc/94/97/21/571949721.db2.gz BFLPUEBGCMPLPB-NWDGAFQWSA-N 2 2 194.322 1.779 10 0 ADAELP C[N@@H+](C[C@@H]1CCC[NH2+]1)[C@@H]1C=CCCC1 234303557 571949725 /nfs/dbraw/zinc/94/97/25/571949725.db2.gz BFLPUEBGCMPLPB-NWDGAFQWSA-N 2 2 194.322 1.779 10 0 ADAELP Cn1cc[nH+]c1C[C@](C)([NH3+])C1CC1 687686927 571950542 /nfs/dbraw/zinc/95/05/42/571950542.db2.gz BWVWHYCAZROFEL-JTQLQIEISA-N 2 2 179.267 1.090 10 0 ADAELP Cn1cc[nH+]c1C[C@@](C)([NH3+])C1CC1 687686928 571950785 /nfs/dbraw/zinc/95/07/85/571950785.db2.gz BWVWHYCAZROFEL-SNVBAGLBSA-N 2 2 179.267 1.090 10 0 ADAELP C[C@H]1CC[C@]2(CCC[N@H+](C)C2)[NH2+]1 76597003 571953306 /nfs/dbraw/zinc/95/33/06/571953306.db2.gz QNZAAYLGFOEWSS-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[C@]2(CCC[N@@H+](C)C2)[NH2+]1 76597003 571953312 /nfs/dbraw/zinc/95/33/12/571953312.db2.gz QNZAAYLGFOEWSS-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[C@]2(CCC[N@H+](C)C2)[NH2+]1 76597000 571953526 /nfs/dbraw/zinc/95/35/26/571953526.db2.gz QNZAAYLGFOEWSS-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[C@]2(CCC[N@@H+](C)C2)[NH2+]1 76597000 571953529 /nfs/dbraw/zinc/95/35/29/571953529.db2.gz QNZAAYLGFOEWSS-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP CC[N@@H+]1CCCCCC[C@@H]([NH3+])C1 140605235 571956217 /nfs/dbraw/zinc/95/62/17/571956217.db2.gz YCDWVQQZGAVPKR-SNVBAGLBSA-N 2 2 170.300 1.600 10 0 ADAELP CC[N@H+]1CCCCCC[C@@H]([NH3+])C1 140605235 571956221 /nfs/dbraw/zinc/95/62/21/571956221.db2.gz YCDWVQQZGAVPKR-SNVBAGLBSA-N 2 2 170.300 1.600 10 0 ADAELP CCC[NH2+][C@@H]1CCCC[N@H+](C)C1 76598292 571956644 /nfs/dbraw/zinc/95/66/44/571956644.db2.gz ZGAVTPLOVNTMHO-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+][C@@H]1CCCC[N@@H+](C)C1 76598292 571956647 /nfs/dbraw/zinc/95/66/47/571956647.db2.gz ZGAVTPLOVNTMHO-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP [NH3+][C@H]1CCCC[N@H+](CC2CC2)C1 140604506 571957280 /nfs/dbraw/zinc/95/72/80/571957280.db2.gz ACVDXUPJUQMVTQ-JTQLQIEISA-N 2 2 168.284 1.210 10 0 ADAELP [NH3+][C@H]1CCCC[N@@H+](CC2CC2)C1 140604506 571957282 /nfs/dbraw/zinc/95/72/82/571957282.db2.gz ACVDXUPJUQMVTQ-JTQLQIEISA-N 2 2 168.284 1.210 10 0 ADAELP CC[N@@H+]1CCCCCC[C@H]([NH3+])C1 140605058 571957688 /nfs/dbraw/zinc/95/76/88/571957688.db2.gz YCDWVQQZGAVPKR-JTQLQIEISA-N 2 2 170.300 1.600 10 0 ADAELP CC[N@H+]1CCCCCC[C@H]([NH3+])C1 140605058 571957690 /nfs/dbraw/zinc/95/76/90/571957690.db2.gz YCDWVQQZGAVPKR-JTQLQIEISA-N 2 2 170.300 1.600 10 0 ADAELP Cn1c[nH+]c([C@H]2CCC[NH2+]CC2)c1 687688578 571960462 /nfs/dbraw/zinc/96/04/62/571960462.db2.gz YNGMRCPMLMEUIW-VIFPVBQESA-N 2 2 179.267 1.277 10 0 ADAELP [NH3+]CC1=C[NH2+]C(c2ccccc2)S1 526125004 571958760 /nfs/dbraw/zinc/95/87/60/571958760.db2.gz PNJGWXBIQUKHPN-UHFFFAOYSA-N 2 2 191.279 1.661 10 0 ADAELP CC1=C([C@H](C)[NH3+])SC2=[NH+]CCCN21 11850389 571958887 /nfs/dbraw/zinc/95/88/87/571958887.db2.gz WVGHUHQCGNTPQD-LURJTMIESA-N 2 2 197.307 1.374 10 0 ADAELP CC1=C([C@@H](C)[NH3+])SC2=[NH+]CCCN21 11850388 571959151 /nfs/dbraw/zinc/95/91/51/571959151.db2.gz WVGHUHQCGNTPQD-ZCFIWIBFSA-N 2 2 197.307 1.374 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H]2C[C@H](C)CC[C@@H]2[NH3+])C1 40717915 571960107 /nfs/dbraw/zinc/96/01/07/571960107.db2.gz MDJODRPPRGOUSH-NOOOWODRSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H]2C[C@H](C)CC[C@@H]2[NH3+])C1 40717915 571960108 /nfs/dbraw/zinc/96/01/08/571960108.db2.gz MDJODRPPRGOUSH-NOOOWODRSA-N 2 2 196.338 1.844 10 0 ADAELP Cc1ccc2[nH+]cc([C@H](C)[NH3+])n2c1 31911432 571960296 /nfs/dbraw/zinc/96/02/96/571960296.db2.gz KPAFHRBXCTYUSV-QMMMGPOBSA-N 2 2 175.235 1.662 10 0 ADAELP Cn1c[nH+]c([C@@H]2CCC[NH2+]CC2)c1 687688577 571960297 /nfs/dbraw/zinc/96/02/97/571960297.db2.gz YNGMRCPMLMEUIW-SECBINFHSA-N 2 2 179.267 1.277 10 0 ADAELP Cc1ccc2[nH+]cc([C@@H](C)[NH3+])n2c1 31911429 571960428 /nfs/dbraw/zinc/96/04/28/571960428.db2.gz KPAFHRBXCTYUSV-MRVPVSSYSA-N 2 2 175.235 1.662 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)C1=CCCCC1 234472664 571961700 /nfs/dbraw/zinc/96/17/00/571961700.db2.gz ZEMNCLFLRCFUAV-LLVKDONJSA-N 2 2 182.311 1.636 10 0 ADAELP CCC[N@H+](CC[NH3+])Cc1cccs1 32009664 571961846 /nfs/dbraw/zinc/96/18/46/571961846.db2.gz AIWBGDSIFOKWLS-UHFFFAOYSA-N 2 2 198.335 1.919 10 0 ADAELP CCC[N@@H+](CC[NH3+])Cc1cccs1 32009664 571961849 /nfs/dbraw/zinc/96/18/49/571961849.db2.gz AIWBGDSIFOKWLS-UHFFFAOYSA-N 2 2 198.335 1.919 10 0 ADAELP CCC[N@H+](CC[NH3+])Cc1ccco1 32007621 571961931 /nfs/dbraw/zinc/96/19/31/571961931.db2.gz WMABEHIGDDTSTQ-UHFFFAOYSA-N 2 2 182.267 1.450 10 0 ADAELP CCC[N@@H+](CC[NH3+])Cc1ccco1 32007621 571961932 /nfs/dbraw/zinc/96/19/32/571961932.db2.gz WMABEHIGDDTSTQ-UHFFFAOYSA-N 2 2 182.267 1.450 10 0 ADAELP CC(C)C[N@H+](CC[NH3+])Cc1ccco1 32009406 571963482 /nfs/dbraw/zinc/96/34/82/571963482.db2.gz AAPIFRBMZNSBIC-UHFFFAOYSA-N 2 2 196.294 1.696 10 0 ADAELP CC(C)C[N@@H+](CC[NH3+])Cc1ccco1 32009406 571963484 /nfs/dbraw/zinc/96/34/84/571963484.db2.gz AAPIFRBMZNSBIC-UHFFFAOYSA-N 2 2 196.294 1.696 10 0 ADAELP CC[C@@H](C)[N@H+](CC)CC(C)(C)[NH3+] 40925898 571964284 /nfs/dbraw/zinc/96/42/84/571964284.db2.gz CVLYVXKJFBGZAJ-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@@H](C)[N@@H+](CC)CC(C)(C)[NH3+] 40925898 571964289 /nfs/dbraw/zinc/96/42/89/571964289.db2.gz CVLYVXKJFBGZAJ-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])o1 40925921 571965307 /nfs/dbraw/zinc/96/53/07/571965307.db2.gz DSDNWQJRWHKRHG-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])o1 40925921 571965310 /nfs/dbraw/zinc/96/53/10/571965310.db2.gz DSDNWQJRWHKRHG-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP CC(C)=CC[NH2+][C@H]1CCC[N@@H+](C)C1 234330382 571965506 /nfs/dbraw/zinc/96/55/06/571965506.db2.gz GXFAPEGXWIUZTD-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP CC(C)=CC[NH2+][C@H]1CCC[N@H+](C)C1 234330382 571965511 /nfs/dbraw/zinc/96/55/11/571965511.db2.gz GXFAPEGXWIUZTD-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP CCCC[N@@H+]1CCSC[C@@H]1C[NH3+] 219300575 571965987 /nfs/dbraw/zinc/96/59/87/571965987.db2.gz CVDSSILGTXLERN-VIFPVBQESA-N 2 2 188.340 1.163 10 0 ADAELP CCCC[N@H+]1CCSC[C@@H]1C[NH3+] 219300575 571965991 /nfs/dbraw/zinc/96/59/91/571965991.db2.gz CVDSSILGTXLERN-VIFPVBQESA-N 2 2 188.340 1.163 10 0 ADAELP CC1CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 41027564 571966385 /nfs/dbraw/zinc/96/63/85/571966385.db2.gz ITCVCHCNAQODID-CXQJBGSLSA-N 2 2 196.338 1.988 10 0 ADAELP CC1CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 41027564 571966387 /nfs/dbraw/zinc/96/63/87/571966387.db2.gz ITCVCHCNAQODID-CXQJBGSLSA-N 2 2 196.338 1.988 10 0 ADAELP CCSCCCn1c[nH+]cc1C[NH3+] 300827353 571966581 /nfs/dbraw/zinc/96/65/81/571966581.db2.gz BSBJHNWUBKLTGE-UHFFFAOYSA-N 2 2 199.323 1.485 10 0 ADAELP CC[C@@H](C(C)C)[N@H+]1CCC[C@H]([NH3+])C1 41028008 571966709 /nfs/dbraw/zinc/96/67/09/571966709.db2.gz RATLAERXQUFEBL-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H](C(C)C)[N@@H+]1CCC[C@H]([NH3+])C1 41028008 571966706 /nfs/dbraw/zinc/96/67/06/571966706.db2.gz RATLAERXQUFEBL-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C(C)C)[N@H+]1CCC[C@H]([NH3+])C1 41028009 571967080 /nfs/dbraw/zinc/96/70/80/571967080.db2.gz RATLAERXQUFEBL-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C(C)C)[N@@H+]1CCC[C@H]([NH3+])C1 41028009 571967077 /nfs/dbraw/zinc/96/70/77/571967077.db2.gz RATLAERXQUFEBL-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 41028003 571967188 /nfs/dbraw/zinc/96/71/88/571967188.db2.gz KOBZLCHIQFYSSG-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 41028003 571967190 /nfs/dbraw/zinc/96/71/90/571967190.db2.gz KOBZLCHIQFYSSG-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@]1([NH3+])CC[N@H+](Cc2cccnc2)C1 219330672 571967494 /nfs/dbraw/zinc/96/74/94/571967494.db2.gz QNNYMEWEHUOZMT-LLVKDONJSA-N 2 2 191.278 1.005 10 0 ADAELP C[C@@]1([NH3+])CC[N@@H+](Cc2cccnc2)C1 219330672 571967497 /nfs/dbraw/zinc/96/74/97/571967497.db2.gz QNNYMEWEHUOZMT-LLVKDONJSA-N 2 2 191.278 1.005 10 0 ADAELP CC(C)CC[N@H+](CC(N)=[NH2+])C1CC1 109275773 571967606 /nfs/dbraw/zinc/96/76/06/571967606.db2.gz HQNNDPJIDFUJCE-UHFFFAOYSA-N 2 2 183.299 1.433 10 0 ADAELP CC(C)CC[N@@H+](CC(N)=[NH2+])C1CC1 109275773 571967609 /nfs/dbraw/zinc/96/76/09/571967609.db2.gz HQNNDPJIDFUJCE-UHFFFAOYSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1 41027597 571967701 /nfs/dbraw/zinc/96/77/01/571967701.db2.gz KICQRLVFSVPIPD-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)C1 41027597 571967705 /nfs/dbraw/zinc/96/77/05/571967705.db2.gz KICQRLVFSVPIPD-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@]1([NH3+])CC[N@H+](Cc2ccccn2)C1 219330599 571968157 /nfs/dbraw/zinc/96/81/57/571968157.db2.gz KWBCMCBLGHBETP-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP C[C@]1([NH3+])CC[N@@H+](Cc2ccccn2)C1 219330599 571968160 /nfs/dbraw/zinc/96/81/60/571968160.db2.gz KWBCMCBLGHBETP-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1 41027595 571968196 /nfs/dbraw/zinc/96/81/96/571968196.db2.gz KICQRLVFSVPIPD-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@H]([NH3+])C2)C1 41027595 571968200 /nfs/dbraw/zinc/96/82/00/571968200.db2.gz KICQRLVFSVPIPD-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1ccc([C@@H]2CC[N@@H+]2CC[NH3+])cc1 219319622 571969175 /nfs/dbraw/zinc/96/91/75/571969175.db2.gz YGESAQVWPCIZGA-LBPRGKRZSA-N 2 2 190.290 1.701 10 0 ADAELP Cc1ccc([C@@H]2CC[N@H+]2CC[NH3+])cc1 219319622 571969177 /nfs/dbraw/zinc/96/91/77/571969177.db2.gz YGESAQVWPCIZGA-LBPRGKRZSA-N 2 2 190.290 1.701 10 0 ADAELP CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 41028005 571969226 /nfs/dbraw/zinc/96/92/26/571969226.db2.gz KOBZLCHIQFYSSG-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 41028005 571969229 /nfs/dbraw/zinc/96/92/29/571969229.db2.gz KOBZLCHIQFYSSG-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CCn1cc[nH+]c1C[C@@](C)([NH3+])C1CC1 687692267 571969443 /nfs/dbraw/zinc/96/94/43/571969443.db2.gz UMZSXZIJVXLIJW-LLVKDONJSA-N 2 2 193.294 1.573 10 0 ADAELP C[C@]1([NH3+])CC[N@H+](Cc2ccncc2)C1 219330703 571969523 /nfs/dbraw/zinc/96/95/23/571969523.db2.gz KCMRVXVQLIWOMN-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP C[C@]1([NH3+])CC[N@@H+](Cc2ccncc2)C1 219330703 571969526 /nfs/dbraw/zinc/96/95/26/571969526.db2.gz KCMRVXVQLIWOMN-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP CCn1cc[nH+]c1C[C@](C)([NH3+])C1CC1 687692268 571969732 /nfs/dbraw/zinc/96/97/32/571969732.db2.gz UMZSXZIJVXLIJW-NSHDSACASA-N 2 2 193.294 1.573 10 0 ADAELP C[C@@]1([NH3+])CC[N@H+](Cc2ccncc2)C1 219330722 571969960 /nfs/dbraw/zinc/96/99/60/571969960.db2.gz KCMRVXVQLIWOMN-LLVKDONJSA-N 2 2 191.278 1.005 10 0 ADAELP C[C@@]1([NH3+])CC[N@@H+](Cc2ccncc2)C1 219330722 571969964 /nfs/dbraw/zinc/96/99/64/571969964.db2.gz KCMRVXVQLIWOMN-LLVKDONJSA-N 2 2 191.278 1.005 10 0 ADAELP C[C@@]1([NH3+])CC[N@H+](Cc2ccccn2)C1 219330622 571969977 /nfs/dbraw/zinc/96/99/77/571969977.db2.gz KWBCMCBLGHBETP-LLVKDONJSA-N 2 2 191.278 1.005 10 0 ADAELP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccn2)C1 219330622 571969980 /nfs/dbraw/zinc/96/99/80/571969980.db2.gz KWBCMCBLGHBETP-LLVKDONJSA-N 2 2 191.278 1.005 10 0 ADAELP C[NH2+]CC[N@H+](CCC(C)C)C1CC1 109278857 571969991 /nfs/dbraw/zinc/96/99/91/571969991.db2.gz AJFUWHBEGKAEJY-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]CC[N@@H+](CCC(C)C)C1CC1 109278857 571969995 /nfs/dbraw/zinc/96/99/95/571969995.db2.gz AJFUWHBEGKAEJY-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 41053805 571970582 /nfs/dbraw/zinc/97/05/82/571970582.db2.gz SRAGMWUULMLGNR-RKDXNWHRSA-N 2 2 158.289 1.310 10 0 ADAELP CC(C)C[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 41053805 571970586 /nfs/dbraw/zinc/97/05/86/571970586.db2.gz SRAGMWUULMLGNR-RKDXNWHRSA-N 2 2 158.289 1.310 10 0 ADAELP CC(C)C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053804 571971017 /nfs/dbraw/zinc/97/10/17/571971017.db2.gz SRAGMWUULMLGNR-BDAKNGLRSA-N 2 2 158.289 1.310 10 0 ADAELP CC(C)C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053804 571971021 /nfs/dbraw/zinc/97/10/21/571971021.db2.gz SRAGMWUULMLGNR-BDAKNGLRSA-N 2 2 158.289 1.310 10 0 ADAELP CC[C@@H]1CCC[N@@H+]([C@@H](C)[C@@H](C)[NH3+])C1 41053848 571971113 /nfs/dbraw/zinc/97/11/13/571971113.db2.gz VHYBNWAXIJEGTN-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1CCC[N@H+]([C@@H](C)[C@@H](C)[NH3+])C1 41053848 571971116 /nfs/dbraw/zinc/97/11/16/571971116.db2.gz VHYBNWAXIJEGTN-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1[nH+]c(C2CCCC2)c(C[NH3+])n1C 219410567 571972129 /nfs/dbraw/zinc/97/21/29/571972129.db2.gz OGSPZMLJWJIWBX-UHFFFAOYSA-N 2 2 193.294 1.845 10 0 ADAELP CC[N@H+](CC[NH3+])[C@H](C)Cc1ccco1 300828750 571972309 /nfs/dbraw/zinc/97/23/09/571972309.db2.gz OEBBULFADRMRRU-SNVBAGLBSA-N 2 2 196.294 1.491 10 0 ADAELP CC[N@@H+](CC[NH3+])[C@H](C)Cc1ccco1 300828750 571972315 /nfs/dbraw/zinc/97/23/15/571972315.db2.gz OEBBULFADRMRRU-SNVBAGLBSA-N 2 2 196.294 1.491 10 0 ADAELP CCc1[nH+]c(CC[NH2+]C)n2c1CCC2 219400207 571972778 /nfs/dbraw/zinc/97/27/78/571972778.db2.gz PYZJCGCBCYMUIY-UHFFFAOYSA-N 2 2 193.294 1.154 10 0 ADAELP CCC[C@@](F)(C[NH3+])c1c[nH+]c(C)n1C 388663076 571972791 /nfs/dbraw/zinc/97/27/91/571972791.db2.gz DFNDVZUWKCUDDJ-SNVBAGLBSA-N 2 2 199.273 1.652 10 0 ADAELP Cc1[nH+]c2cccc3c2n1CC[NH2+]C3 32222915 571973385 /nfs/dbraw/zinc/97/33/85/571973385.db2.gz WWOSHHFVXPUSNJ-UHFFFAOYSA-N 2 2 187.246 1.448 10 0 ADAELP CC(C)[C@H](C)C[NH2+]Cc1c[nH+]c[nH]1 81076637 571973946 /nfs/dbraw/zinc/97/39/46/571973946.db2.gz DQUIAHJWKXZAIK-SECBINFHSA-N 2 2 181.283 1.791 10 0 ADAELP CC(C)[C@@H](C)C[NH2+]CC[NH+](C)C 81058931 571975056 /nfs/dbraw/zinc/97/50/56/571975056.db2.gz VAMKCXDPSLSKKQ-JTQLQIEISA-N 2 2 172.316 1.430 10 0 ADAELP C[C@H]([NH3+])Cc1cn(CC(F)F)c[nH+]1 235538327 571975410 /nfs/dbraw/zinc/97/54/10/571975410.db2.gz OGGMYYTXVXIOMK-LURJTMIESA-N 2 2 189.209 1.038 10 0 ADAELP CC(C)[C@@H](C)C[NH2+]Cc1c[nH+]c[nH]1 81076634 571975807 /nfs/dbraw/zinc/97/58/07/571975807.db2.gz DQUIAHJWKXZAIK-VIFPVBQESA-N 2 2 181.283 1.791 10 0 ADAELP C[N@H+](CCCC1CC1)[C@H]1CCC[C@@H]1[NH3+] 400682652 571976658 /nfs/dbraw/zinc/97/66/58/571976658.db2.gz VQUQNMLQFYKIIR-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CCCC1CC1)[C@H]1CCC[C@@H]1[NH3+] 400682652 571976660 /nfs/dbraw/zinc/97/66/60/571976660.db2.gz VQUQNMLQFYKIIR-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@H+](CCCC1CC1)[C@@H]1CCC[C@H]1[NH3+] 400682653 571976723 /nfs/dbraw/zinc/97/67/23/571976723.db2.gz VQUQNMLQFYKIIR-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CCCC1CC1)[C@@H]1CCC[C@H]1[NH3+] 400682653 571976724 /nfs/dbraw/zinc/97/67/24/571976724.db2.gz VQUQNMLQFYKIIR-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+](C[C@@H](C)C(C)C)C1 81121703 571976994 /nfs/dbraw/zinc/97/69/94/571976994.db2.gz ZANXYXQSGZYDDP-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)C(C)C)C1 81121703 571976996 /nfs/dbraw/zinc/97/69/96/571976996.db2.gz ZANXYXQSGZYDDP-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)([NH3+])[C@@H]1[NH2+]CCc2ccccc21 687694572 571977122 /nfs/dbraw/zinc/97/71/22/571977122.db2.gz NGTMZFLJKSHOLV-LLVKDONJSA-N 2 2 190.290 1.611 10 0 ADAELP CC(C)([NH3+])[C@H]1[NH2+]Cc2ccccc21 687694624 571977248 /nfs/dbraw/zinc/97/72/48/571977248.db2.gz TYMBLRQCLPLPMW-JTQLQIEISA-N 2 2 176.263 1.568 10 0 ADAELP CC(C)([NH3+])[C@@H]1[NH2+]Cc2ccccc21 687694625 571977841 /nfs/dbraw/zinc/97/78/41/571977841.db2.gz TYMBLRQCLPLPMW-SNVBAGLBSA-N 2 2 176.263 1.568 10 0 ADAELP CC(C)([NH3+])[C@H]1[NH2+]CCc2ccccc21 687694573 571977865 /nfs/dbraw/zinc/97/78/65/571977865.db2.gz NGTMZFLJKSHOLV-NSHDSACASA-N 2 2 190.290 1.611 10 0 ADAELP CC(C)[N@@H+]1CCCC[NH2+]CC1 196428995 571978971 /nfs/dbraw/zinc/97/89/71/571978971.db2.gz VBMCOECKHWZXGK-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)[N@H+]1CCCC[NH2+]CC1 196428995 571978974 /nfs/dbraw/zinc/97/89/74/571978974.db2.gz VBMCOECKHWZXGK-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)C[C@@H](C)C[NH2+]CC[NH+](C)C 300835577 571979029 /nfs/dbraw/zinc/97/90/29/571979029.db2.gz COCDQRBCYHQIFN-LLVKDONJSA-N 2 2 186.343 1.820 10 0 ADAELP CC(C)C[C@H](C)C[NH2+]CC[NH+](C)C 300835578 571979114 /nfs/dbraw/zinc/97/91/14/571979114.db2.gz COCDQRBCYHQIFN-NSHDSACASA-N 2 2 186.343 1.820 10 0 ADAELP CNc1ccccc1C[NH2+][C@@H](C)C[NH3+] 234479291 571980356 /nfs/dbraw/zinc/98/03/56/571980356.db2.gz PYEDRYNSHIHFNF-VIFPVBQESA-N 2 2 193.294 1.165 10 0 ADAELP COc1ccc(NC[C@H](C)C[NH3+])[nH+]c1 234867994 571980384 /nfs/dbraw/zinc/98/03/84/571980384.db2.gz FTIOAQBDWSBQJK-MRVPVSSYSA-N 2 2 195.266 1.097 10 0 ADAELP CCCC[NH2+]CC[NH+]1CCCCC1 41202825 571980433 /nfs/dbraw/zinc/98/04/33/571980433.db2.gz LIJCUZVYBAZRLH-UHFFFAOYSA-N 2 2 184.327 1.862 10 0 ADAELP COc1ccc(N[C@@H](C)CC[NH3+])[nH+]c1 234873506 571981394 /nfs/dbraw/zinc/98/13/94/571981394.db2.gz PDPOIMYOWBFAGJ-QMMMGPOBSA-N 2 2 195.266 1.239 10 0 ADAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 300846014 571982943 /nfs/dbraw/zinc/98/29/43/571982943.db2.gz DTHBJONRBITSRG-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 300846014 571982944 /nfs/dbraw/zinc/98/29/44/571982944.db2.gz DTHBJONRBITSRG-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP COc1ccc(NC/C=C/C[NH3+])[nH+]c1 234869660 571983059 /nfs/dbraw/zinc/98/30/59/571983059.db2.gz WCJPVHZFSGNIPP-NSCUHMNNSA-N 2 2 193.250 1.017 10 0 ADAELP c1[nH]cc(CC[C@H]2CCC[NH2+]C2)[nH+]1 13530266 571984284 /nfs/dbraw/zinc/98/42/84/571984284.db2.gz ARRCCCIOHBCTKB-SECBINFHSA-N 2 2 179.267 1.342 10 0 ADAELP c1[nH]c(CC[C@H]2CCC[NH2+]C2)c[nH+]1 13530266 571984285 /nfs/dbraw/zinc/98/42/85/571984285.db2.gz ARRCCCIOHBCTKB-SECBINFHSA-N 2 2 179.267 1.342 10 0 ADAELP c1[nH]c(CC[C@@H]2CCCC[NH2+]2)c[nH+]1 13530278 571984322 /nfs/dbraw/zinc/98/43/22/571984322.db2.gz PCDPTLHPAMRZIW-VIFPVBQESA-N 2 2 179.267 1.484 10 0 ADAELP c1[nH]cc(CC[C@@H]2CCCC[NH2+]2)[nH+]1 13530278 571984324 /nfs/dbraw/zinc/98/43/24/571984324.db2.gz PCDPTLHPAMRZIW-VIFPVBQESA-N 2 2 179.267 1.484 10 0 ADAELP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C1 300846020 571984535 /nfs/dbraw/zinc/98/45/35/571984535.db2.gz DTHBJONRBITSRG-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C1 300846020 571984538 /nfs/dbraw/zinc/98/45/38/571984538.db2.gz DTHBJONRBITSRG-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP Cc1cnc(C[NH2+]CC(C)(C)[NH3+])s1 235807832 571985564 /nfs/dbraw/zinc/98/55/64/571985564.db2.gz MNLFWUDLPJZWPT-UHFFFAOYSA-N 2 2 199.323 1.278 10 0 ADAELP Cc1[nH+]cccc1Nc1[nH+]ccn1C 235808197 571985612 /nfs/dbraw/zinc/98/56/12/571985612.db2.gz IBVMSWJTXUXYMV-UHFFFAOYSA-N 2 2 188.234 1.867 10 0 ADAELP C[NH+]1CCC(CCc2c[nH+]c[nH]2)CC1 13612830 571986238 /nfs/dbraw/zinc/98/62/38/571986238.db2.gz HYCFLORUENSVSY-UHFFFAOYSA-N 2 2 193.294 1.684 10 0 ADAELP C[NH+]1CCC(CCc2c[nH]c[nH+]2)CC1 13612830 571986243 /nfs/dbraw/zinc/98/62/43/571986243.db2.gz HYCFLORUENSVSY-UHFFFAOYSA-N 2 2 193.294 1.684 10 0 ADAELP CC(C)(C)Cn1c[nH+]c(CC[NH3+])c1 713174401 571986432 /nfs/dbraw/zinc/98/64/32/571986432.db2.gz LCDPXVCFTICGET-UHFFFAOYSA-N 2 2 181.283 1.430 10 0 ADAELP Cc1[nH+]cccc1Nc1[nH]cc[nH+]1 235808107 571986389 /nfs/dbraw/zinc/98/63/89/571986389.db2.gz KWGPRJKBSCKJQM-UHFFFAOYSA-N 2 2 174.207 1.857 10 0 ADAELP Cc1[nH+]c2n(c1C1([NH3+])CC1)CCCC2 214658985 571987325 /nfs/dbraw/zinc/98/73/25/571987325.db2.gz CYXUVSYRERAZHP-UHFFFAOYSA-N 2 2 191.278 1.476 10 0 ADAELP CC1=[NH+]CC[NH2+][C@@H](C(C)C)C1 196164910 571987464 /nfs/dbraw/zinc/98/74/64/571987464.db2.gz URSFKMJNGPQOMO-SECBINFHSA-N 2 2 154.257 1.465 10 0 ADAELP C/C(=C\CC[NH3+])Cc1c[nH+]cn1C 401778279 571987637 /nfs/dbraw/zinc/98/76/37/571987637.db2.gz ORJAVBGVMRUOLS-RUDMXATFSA-N 2 2 179.267 1.258 10 0 ADAELP CC1=[NH+]CC[NH2+][C@H](C(C)C)C1 196164905 571987805 /nfs/dbraw/zinc/98/78/05/571987805.db2.gz URSFKMJNGPQOMO-VIFPVBQESA-N 2 2 154.257 1.465 10 0 ADAELP CC1=[NH+]CC[NH2+][C@@H](C(C)(C)C)C1 196165007 571987979 /nfs/dbraw/zinc/98/79/79/571987979.db2.gz LCZKVAJNNRKTKV-SECBINFHSA-N 2 2 168.284 1.855 10 0 ADAELP C[C@@H]1CCCn2c(C3([NH3+])CC3)c[nH+]c21 214659467 571988050 /nfs/dbraw/zinc/98/80/50/571988050.db2.gz VFKKPDPTZWLKSX-MRVPVSSYSA-N 2 2 191.278 1.728 10 0 ADAELP C[C@H]1CCc2[nH+]cc(C3([NH3+])CC3)n2C1 214659131 571988151 /nfs/dbraw/zinc/98/81/51/571988151.db2.gz LXOSTMZPRWPYIO-QMMMGPOBSA-N 2 2 191.278 1.413 10 0 ADAELP C[C@H]1CCCn2c(C3([NH3+])CC3)c[nH+]c21 214659518 571989110 /nfs/dbraw/zinc/98/91/10/571989110.db2.gz VFKKPDPTZWLKSX-QMMMGPOBSA-N 2 2 191.278 1.728 10 0 ADAELP C[C@@H]1CCCc2[nH+]cc(C3([NH3+])CC3)n21 214659206 571989599 /nfs/dbraw/zinc/98/95/99/571989599.db2.gz GCJDNAZKAXPYLU-MRVPVSSYSA-N 2 2 191.278 1.728 10 0 ADAELP C[N@@H+]1Cc2[nH]c(C3CC3)c(C[NH3+])c2C1 214658761 571989914 /nfs/dbraw/zinc/98/99/14/571989914.db2.gz DGVKLSQTTWYOTL-UHFFFAOYSA-N 2 2 191.278 1.296 10 0 ADAELP C[N@H+]1Cc2[nH]c(C3CC3)c(C[NH3+])c2C1 214658761 571989917 /nfs/dbraw/zinc/98/99/17/571989917.db2.gz DGVKLSQTTWYOTL-UHFFFAOYSA-N 2 2 191.278 1.296 10 0 ADAELP 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/nfs/dbraw/zinc/99/52/83/571995283.db2.gz YXYOQGKIQCPORA-UHFFFAOYSA-N 2 2 193.294 1.037 10 0 ADAELP C[C@H]1CCC[C@H]1[N@H+](C)C[C@@H]1CCC[NH2+]1 235564368 571994432 /nfs/dbraw/zinc/99/44/32/571994432.db2.gz SIVHDQKKXLPOIU-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1CCC[NH2+]1 235564368 571994436 /nfs/dbraw/zinc/99/44/36/571994436.db2.gz SIVHDQKKXLPOIU-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]CC[NH2+][C@H](C)CC(F)(F)F 234385489 571994642 /nfs/dbraw/zinc/99/46/42/571994642.db2.gz IDXIPRKOODJUOK-ZCFIWIBFSA-N 2 2 184.205 1.136 10 0 ADAELP CC[N@H+](CC[NH3+])[C@H](C)c1ccco1 300868228 571995245 /nfs/dbraw/zinc/99/52/45/571995245.db2.gz WTNFUHIDBSGZOW-SECBINFHSA-N 2 2 182.267 1.621 10 0 ADAELP CC[N@@H+](CC[NH3+])[C@H](C)c1ccco1 300868228 571995247 /nfs/dbraw/zinc/99/52/47/571995247.db2.gz WTNFUHIDBSGZOW-SECBINFHSA-N 2 2 182.267 1.621 10 0 ADAELP CC[C@H](C(=[NH2+])NO)[N@@H+]1C[C@@H]2CC[C@H]1C2 687771571 571996395 /nfs/dbraw/zinc/99/63/95/571996395.db2.gz ZJPGMNHOPHYADN-HRDYMLBCSA-N 2 2 197.282 1.205 10 0 ADAELP CC[C@@H](C(=[NH2+])NO)[N@@H+]1C[C@@H]2CC[C@H]1C2 687771572 571996919 /nfs/dbraw/zinc/99/69/19/571996919.db2.gz ZJPGMNHOPHYADN-VGMNWLOBSA-N 2 2 197.282 1.205 10 0 ADAELP CC[N@H+](C)C[C@H]([NH3+])Cc1ccco1 74300486 571997269 /nfs/dbraw/zinc/99/72/69/571997269.db2.gz PFUPRCLZUUWHTA-SECBINFHSA-N 2 2 182.267 1.101 10 0 ADAELP CC[N@@H+](C)C[C@H]([NH3+])Cc1ccco1 74300486 571997270 /nfs/dbraw/zinc/99/72/70/571997270.db2.gz PFUPRCLZUUWHTA-SECBINFHSA-N 2 2 182.267 1.101 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc[nH]1 26510973 571997457 /nfs/dbraw/zinc/99/74/57/571997457.db2.gz UAJQMZPHJJYMTJ-JTQLQIEISA-N 2 2 181.283 1.356 10 0 ADAELP C[N@@H+]1CC[C@]([NH3+])(CC2CCCCC2)C1 219570652 571998074 /nfs/dbraw/zinc/99/80/74/571998074.db2.gz ALDUMVARPVWGOE-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(CC2CCCCC2)C1 219570652 571998078 /nfs/dbraw/zinc/99/80/78/571998078.db2.gz ALDUMVARPVWGOE-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 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68897751 572001246 /nfs/dbraw/zinc/00/12/46/572001246.db2.gz JKFCNVFOWZPLFV-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP CCC[N@H+](CC1CC1)C[C@@H]([NH3+])C1CC1 68895324 572002775 /nfs/dbraw/zinc/00/27/75/572002775.db2.gz MGDJXCXJFKKPIA-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP CCC[N@@H+](CC1CC1)C[C@@H]([NH3+])C1CC1 68895324 572002772 /nfs/dbraw/zinc/00/27/72/572002772.db2.gz MGDJXCXJFKKPIA-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)[N@H+](CC1CC1)C[C@@H]([NH3+])C1CC1 68895924 572002970 /nfs/dbraw/zinc/00/29/70/572002970.db2.gz OWRJLRIUMIIRPV-GFCCVEGCSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[N@@H+](CC1CC1)C[C@@H]([NH3+])C1CC1 68895924 572002966 /nfs/dbraw/zinc/00/29/66/572002966.db2.gz OWRJLRIUMIIRPV-GFCCVEGCSA-N 2 2 196.338 1.844 10 0 ADAELP CC[NH2+][C@H](Cn1cc[nH+]c1)C1CC1 68898283 572003031 /nfs/dbraw/zinc/00/30/31/572003031.db2.gz URXHSEOKEXFVPU-SNVBAGLBSA-N 2 2 179.267 1.271 10 0 ADAELP CCC(C)(C)Cn1c[nH+]c(CC[NH3+])c1 713185207 572003256 /nfs/dbraw/zinc/00/32/56/572003256.db2.gz QUFBNTBVVSHRBD-UHFFFAOYSA-N 2 2 195.310 1.821 10 0 ADAELP C[C@@H]1CC[C@H](C[NH2+]CC[NH+](C)C)C1 230420330 572003314 /nfs/dbraw/zinc/00/33/14/572003314.db2.gz SUTBQQRKSZXUMU-MNOVXSKESA-N 2 2 184.327 1.574 10 0 ADAELP C[C@H]1CC[C@H](C[NH2+]CC[NH+](C)C)C1 230420331 572003374 /nfs/dbraw/zinc/00/33/74/572003374.db2.gz SUTBQQRKSZXUMU-QWRGUYRKSA-N 2 2 184.327 1.574 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@H]([NH3+])C1CC1 68946839 572003697 /nfs/dbraw/zinc/00/36/97/572003697.db2.gz OSURCCCXMGCZME-NSHDSACASA-N 2 2 182.311 1.456 10 0 ADAELP CC[N@H+](CC1CC1)C[C@H]([NH3+])C1CC1 68946839 572003699 /nfs/dbraw/zinc/00/36/99/572003699.db2.gz OSURCCCXMGCZME-NSHDSACASA-N 2 2 182.311 1.456 10 0 ADAELP CC[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1CC1(C)C 300224219 572003984 /nfs/dbraw/zinc/00/39/84/572003984.db2.gz LLWWYGTZEWLBDV-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1CC1(C)C 300224219 572003995 /nfs/dbraw/zinc/00/39/95/572003995.db2.gz LLWWYGTZEWLBDV-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH2+]C 68946758 572004537 /nfs/dbraw/zinc/00/45/37/572004537.db2.gz BYGULJQHQGDALD-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH2+]C 68946758 572004538 /nfs/dbraw/zinc/00/45/38/572004538.db2.gz BYGULJQHQGDALD-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](CC)CC1CC1 68946719 572004621 /nfs/dbraw/zinc/00/46/21/572004621.db2.gz VYVRGUVGPLVBAZ-MWLCHTKSSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](CC)CC1CC1 68946719 572004625 /nfs/dbraw/zinc/00/46/25/572004625.db2.gz VYVRGUVGPLVBAZ-MWLCHTKSSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](CC)CC1CC1 68946722 572005392 /nfs/dbraw/zinc/00/53/92/572005392.db2.gz VYVRGUVGPLVBAZ-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+]C1CC[NH+](C/C=C/Cl)CC1 234358939 572005042 /nfs/dbraw/zinc/00/50/42/572005042.db2.gz OCMPFKASBYHWBB-GORDUTHDSA-N 2 2 188.702 1.423 10 0 ADAELP CC[N@H+](CC1CC1)[C@H](C)[C@@H](C)[NH3+] 68946887 572005084 /nfs/dbraw/zinc/00/50/84/572005084.db2.gz GDZLGGJNNZIAHA-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)[NH3+] 68946887 572005088 /nfs/dbraw/zinc/00/50/88/572005088.db2.gz GDZLGGJNNZIAHA-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP CC[NH2+][C@H](C)CCn1cc[nH+]c1 34288522 572005154 /nfs/dbraw/zinc/00/51/54/572005154.db2.gz HPGZHGAXKXIPKB-SECBINFHSA-N 2 2 167.256 1.271 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](CC)CC1CC1 68946722 572005390 /nfs/dbraw/zinc/00/53/90/572005390.db2.gz VYVRGUVGPLVBAZ-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC)CC1CC1 68946718 572005579 /nfs/dbraw/zinc/00/55/79/572005579.db2.gz VYVRGUVGPLVBAZ-KOLCDFICSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC)CC1CC1 68946718 572005585 /nfs/dbraw/zinc/00/55/85/572005585.db2.gz VYVRGUVGPLVBAZ-KOLCDFICSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](CC)CC1CC1 68946720 572005652 /nfs/dbraw/zinc/00/56/52/572005652.db2.gz VYVRGUVGPLVBAZ-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](CC)CC1CC1 68946720 572005656 /nfs/dbraw/zinc/00/56/56/572005656.db2.gz VYVRGUVGPLVBAZ-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@H+](CC1CC1)[C@H]1CCC[C@@H]1[NH3+] 68946669 572005790 /nfs/dbraw/zinc/00/57/90/572005790.db2.gz KCJOZQROHUUUJP-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1[NH3+] 68946669 572005794 /nfs/dbraw/zinc/00/57/94/572005794.db2.gz KCJOZQROHUUUJP-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH2+]C 68946805 572006169 /nfs/dbraw/zinc/00/61/69/572006169.db2.gz DIEPZTFEISPFPL-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH3+] 68946667 572006064 /nfs/dbraw/zinc/00/60/64/572006064.db2.gz KCJOZQROHUUUJP-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH3+] 68946667 572006066 /nfs/dbraw/zinc/00/60/66/572006066.db2.gz KCJOZQROHUUUJP-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1[NH2+]C 68946805 572006165 /nfs/dbraw/zinc/00/61/65/572006165.db2.gz DIEPZTFEISPFPL-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 68946713 572006222 /nfs/dbraw/zinc/00/62/22/572006222.db2.gz ZNGUQWNXFQLOPL-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 68946713 572006224 /nfs/dbraw/zinc/00/62/24/572006224.db2.gz ZNGUQWNXFQLOPL-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H]1CC1(C)C 300225838 572006526 /nfs/dbraw/zinc/00/65/26/572006526.db2.gz VHAXYERPTPITAG-RKDXNWHRSA-N 2 2 193.294 1.586 10 0 ADAELP CCC[C@@H](C)[C@@H]([NH3+])Cc1[nH]cc[nH+]1 34977348 572006541 /nfs/dbraw/zinc/00/65/41/572006541.db2.gz OIWWSLZPFJGWLP-BDAKNGLRSA-N 2 2 181.283 1.716 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1CCC(CF)CC1 689401468 572006991 /nfs/dbraw/zinc/00/69/91/572006991.db2.gz RDZWFSMEQMPLEH-SECBINFHSA-N 2 2 188.290 1.276 10 0 ADAELP CCC[C@@H](C)[C@H]([NH3+])Cc1[nH]cc[nH+]1 34977344 572006881 /nfs/dbraw/zinc/00/68/81/572006881.db2.gz OIWWSLZPFJGWLP-RKDXNWHRSA-N 2 2 181.283 1.716 10 0 ADAELP CCCCC1CC[NH+](CC[NH3+])CC1 114184612 572007550 /nfs/dbraw/zinc/00/75/50/572007550.db2.gz LOXPHBYKWOWAMF-UHFFFAOYSA-N 2 2 184.327 1.847 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1CC1(C)C 300225837 572007262 /nfs/dbraw/zinc/00/72/62/572007262.db2.gz VHAXYERPTPITAG-DTWKUNHWSA-N 2 2 193.294 1.586 10 0 ADAELP CCC[C@H](C)[C@@H]([NH3+])Cc1[nH]cc[nH+]1 34977349 572007845 /nfs/dbraw/zinc/00/78/45/572007845.db2.gz OIWWSLZPFJGWLP-IUCAKERBSA-N 2 2 181.283 1.716 10 0 ADAELP CCC[C@H](C)[C@H]([NH3+])Cc1[nH]cc[nH+]1 34977346 572007851 /nfs/dbraw/zinc/00/78/51/572007851.db2.gz OIWWSLZPFJGWLP-DTWKUNHWSA-N 2 2 181.283 1.716 10 0 ADAELP CC(C)C[C@H]([NH3+])Cc1[nH]cc[nH+]1 34977380 572008054 /nfs/dbraw/zinc/00/80/54/572008054.db2.gz UTNVWSQDXZXGOY-QMMMGPOBSA-N 2 2 167.256 1.326 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)C(C)(C)CC 68997339 572017741 /nfs/dbraw/zinc/01/77/41/572017741.db2.gz NECRAAKJZBVIFL-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP CC(C)c1c[nH]c(C[C@H]2CCC[NH2+]2)[nH+]1 42172543 572008433 /nfs/dbraw/zinc/00/84/33/572008433.db2.gz ZCVSGMMBIIOBNB-SECBINFHSA-N 2 2 193.294 1.828 10 0 ADAELP CC[N@H+](C[C@@H]1[NH2+]CCC[C@H]1C)C1CC1 300228307 572009406 /nfs/dbraw/zinc/00/94/06/572009406.db2.gz MMFLXMSWOYJZGG-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C[C@@H]1[NH2+]CCC[C@H]1C)C1CC1 300228307 572009407 /nfs/dbraw/zinc/00/94/07/572009407.db2.gz MMFLXMSWOYJZGG-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C[C@H]1[NH2+]CCC[C@H]1C)C1CC1 300228308 572010999 /nfs/dbraw/zinc/01/09/99/572010999.db2.gz MMFLXMSWOYJZGG-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C[C@H]1[NH2+]CCC[C@H]1C)C1CC1 300228308 572011002 /nfs/dbraw/zinc/01/10/02/572011002.db2.gz MMFLXMSWOYJZGG-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@@H]([NH3+])C(C)C 68947569 572011776 /nfs/dbraw/zinc/01/17/76/572011776.db2.gz RSUKTXBJSFRFAH-LLVKDONJSA-N 2 2 184.327 1.702 10 0 ADAELP CC[N@H+](CC1CC1)C[C@@H]([NH3+])C(C)C 68947569 572011777 /nfs/dbraw/zinc/01/17/77/572011777.db2.gz RSUKTXBJSFRFAH-LLVKDONJSA-N 2 2 184.327 1.702 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@H]([NH3+])C(C)C 68947567 572012084 /nfs/dbraw/zinc/01/20/84/572012084.db2.gz RSUKTXBJSFRFAH-NSHDSACASA-N 2 2 184.327 1.702 10 0 ADAELP CC[N@H+](CC1CC1)C[C@H]([NH3+])C(C)C 68947567 572012087 /nfs/dbraw/zinc/01/20/87/572012087.db2.gz RSUKTXBJSFRFAH-NSHDSACASA-N 2 2 184.327 1.702 10 0 ADAELP CNc1[nH+]ccn1-c1ccc[nH+]c1C 234512168 572012053 /nfs/dbraw/zinc/01/20/53/572012053.db2.gz LXOVDYANWGODTA-UHFFFAOYSA-N 2 2 188.234 1.617 10 0 ADAELP C[NH2+]CC/C=C/c1ccc(N)[nH+]c1 114242353 572012385 /nfs/dbraw/zinc/01/23/85/572012385.db2.gz PMHAILYAVMQPRS-DUXPYHPUSA-N 2 2 177.251 1.287 10 0 ADAELP CC[N@H+](CC1CC1)CC(C)(C)[NH2+]C 68947658 572012430 /nfs/dbraw/zinc/01/24/30/572012430.db2.gz DBMDBPATTULRDE-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](CC1CC1)CC(C)(C)[NH2+]C 68947658 572012433 /nfs/dbraw/zinc/01/24/33/572012433.db2.gz DBMDBPATTULRDE-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@](C)([NH3+])C1CC1 68947592 572013757 /nfs/dbraw/zinc/01/37/57/572013757.db2.gz RDURRVMEVZUQDG-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CC1CCCC1 42375147 572013130 /nfs/dbraw/zinc/01/31/30/572013130.db2.gz YJCIYENJYZLHGR-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CC1CCCC1 42375147 572013133 /nfs/dbraw/zinc/01/31/33/572013133.db2.gz YJCIYENJYZLHGR-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CC1CCCC1 42375150 572013171 /nfs/dbraw/zinc/01/31/71/572013171.db2.gz YJCIYENJYZLHGR-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CC1CCCC1 42375150 572013175 /nfs/dbraw/zinc/01/31/75/572013175.db2.gz YJCIYENJYZLHGR-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CC1CCCC1 42375148 572013098 /nfs/dbraw/zinc/01/30/98/572013098.db2.gz YJCIYENJYZLHGR-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CC1CCCC1 42375148 572013102 /nfs/dbraw/zinc/01/31/02/572013102.db2.gz YJCIYENJYZLHGR-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP CNc1[nH+]ccn1-c1c[nH+]ccc1C 234512391 572013530 /nfs/dbraw/zinc/01/35/30/572013530.db2.gz HBGKKLHKCBFGFS-UHFFFAOYSA-N 2 2 188.234 1.617 10 0 ADAELP CC[N@H+](CC1CC1)CC1([NH3+])CCCC1 68947647 572013659 /nfs/dbraw/zinc/01/36/59/572013659.db2.gz CBKQDQLYOXPFTP-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP CC[N@@H+](CC1CC1)CC1([NH3+])CCCC1 68947647 572013663 /nfs/dbraw/zinc/01/36/63/572013663.db2.gz CBKQDQLYOXPFTP-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP CSC[C@H](C)C[NH2+]CC[NH+](C)C 69011293 572014634 /nfs/dbraw/zinc/01/46/34/572014634.db2.gz RXDCXXVGJGFCRV-SECBINFHSA-N 2 2 190.356 1.137 10 0 ADAELP CC[N@H+](CC1CC1)C[C@](C)([NH3+])C1CC1 68947592 572013752 /nfs/dbraw/zinc/01/37/52/572013752.db2.gz RDURRVMEVZUQDG-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CC1CCCC1 42375149 572014126 /nfs/dbraw/zinc/01/41/26/572014126.db2.gz YJCIYENJYZLHGR-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CC1CCCC1 42375149 572014128 /nfs/dbraw/zinc/01/41/28/572014128.db2.gz YJCIYENJYZLHGR-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP c1ccc2c(c1)C[NH2+]C[C@H]2n1cc[nH+]c1 68949135 572014654 /nfs/dbraw/zinc/01/46/54/572014654.db2.gz KAAHXEZUMVXKGQ-GFCCVEGCSA-N 2 2 199.257 1.576 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCC[C@H]1C 300235999 572015067 /nfs/dbraw/zinc/01/50/67/572015067.db2.gz SNABIRPUZFRBMC-UTUOFQBUSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@H+](CC1CC1)[C@H]1CCCC[NH2+]C1 68948744 572015467 /nfs/dbraw/zinc/01/54/67/572015467.db2.gz REZXGLVWUYMLQF-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@@H+](CC1CC1)[C@H]1CCCC[NH2+]C1 68948744 572015470 /nfs/dbraw/zinc/01/54/70/572015470.db2.gz REZXGLVWUYMLQF-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CSC[C@@H](C)C[NH2+]CC[NH+](C)C 69011292 572015638 /nfs/dbraw/zinc/01/56/38/572015638.db2.gz RXDCXXVGJGFCRV-VIFPVBQESA-N 2 2 190.356 1.137 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H]1CCCC[NH2+]C1 68948742 572015962 /nfs/dbraw/zinc/01/59/62/572015962.db2.gz REZXGLVWUYMLQF-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H]1CCCC[NH2+]C1 68948742 572015963 /nfs/dbraw/zinc/01/59/63/572015963.db2.gz REZXGLVWUYMLQF-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]Cc1c[nH+]c([C@H]2CC2(C)C)[nH]1 234373987 572016878 /nfs/dbraw/zinc/01/68/78/572016878.db2.gz KVMRWXZORRNMLU-MRVPVSSYSA-N 2 2 179.267 1.643 10 0 ADAELP c1ccc2c(c1)C[NH2+]C[C@@H]2n1cc[nH+]c1 68949134 572017107 /nfs/dbraw/zinc/01/71/07/572017107.db2.gz KAAHXEZUMVXKGQ-LBPRGKRZSA-N 2 2 199.257 1.576 10 0 ADAELP CC[N@H+](CC1CCC1)[C@H]1CCC[C@H]1[NH3+] 300239071 572017619 /nfs/dbraw/zinc/01/76/19/572017619.db2.gz YSTWBYBEZSLBCN-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+](CC1CCC1)[C@H]1CCC[C@H]1[NH3+] 300239071 572017620 /nfs/dbraw/zinc/01/76/20/572017620.db2.gz YSTWBYBEZSLBCN-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 68997012 572017710 /nfs/dbraw/zinc/01/77/10/572017710.db2.gz UFSFNUHWJDMVMQ-RKDXNWHRSA-N 2 2 172.316 1.843 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 68997012 572017711 /nfs/dbraw/zinc/01/77/11/572017711.db2.gz UFSFNUHWJDMVMQ-RKDXNWHRSA-N 2 2 172.316 1.843 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 68997009 572017720 /nfs/dbraw/zinc/01/77/20/572017720.db2.gz UFSFNUHWJDMVMQ-BDAKNGLRSA-N 2 2 172.316 1.843 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 68997009 572017724 /nfs/dbraw/zinc/01/77/24/572017724.db2.gz UFSFNUHWJDMVMQ-BDAKNGLRSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)C(C)(C)CC 68997339 572017739 /nfs/dbraw/zinc/01/77/39/572017739.db2.gz NECRAAKJZBVIFL-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP CCC(C)(C)[N@H+](C)C[C@H]([NH3+])C1CC1 68997223 572017772 /nfs/dbraw/zinc/01/77/72/572017772.db2.gz RFACRPCCFKSCPQ-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@H+](CC1CCC1)[C@@H](C)[C@H](C)[NH3+] 300239086 572017773 /nfs/dbraw/zinc/01/77/73/572017773.db2.gz ZAFAGPOXACHFBR-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(C)(C)[N@@H+](C)C[C@H]([NH3+])C1CC1 68997223 572017774 /nfs/dbraw/zinc/01/77/74/572017774.db2.gz RFACRPCCFKSCPQ-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](CC1CCC1)[C@@H](C)[C@H](C)[NH3+] 300239086 572017777 /nfs/dbraw/zinc/01/77/77/572017777.db2.gz ZAFAGPOXACHFBR-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP CSC[C@@H](C)C[NH2+]Cc1c[nH+]c[nH]1 68999911 572018789 /nfs/dbraw/zinc/01/87/89/572018789.db2.gz NSGSOOGNVLICRV-QMMMGPOBSA-N 2 2 199.323 1.498 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](CC)Cc1ccco1 42445478 572018836 /nfs/dbraw/zinc/01/88/36/572018836.db2.gz LWEKXHNIZCORPM-JTQLQIEISA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](CC)Cc1ccco1 42445478 572018838 /nfs/dbraw/zinc/01/88/38/572018838.db2.gz LWEKXHNIZCORPM-JTQLQIEISA-N 2 2 196.294 1.839 10 0 ADAELP CC[N@H+](CC1CCC1)[C@H](C)[C@H](C)[NH3+] 300239087 572018949 /nfs/dbraw/zinc/01/89/49/572018949.db2.gz ZAFAGPOXACHFBR-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](CC1CCC1)[C@H](C)[C@H](C)[NH3+] 300239087 572018953 /nfs/dbraw/zinc/01/89/53/572018953.db2.gz ZAFAGPOXACHFBR-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP CSCCC[NH2+]Cc1c[nH+]c(C)[nH]1 68998279 572018998 /nfs/dbraw/zinc/01/89/98/572018998.db2.gz ZLFXGJSJQIVZGM-UHFFFAOYSA-N 2 2 199.323 1.561 10 0 ADAELP CCC(C)(C)[N@H+](C)C[C@@H]1CCC[NH2+]1 68998240 572019025 /nfs/dbraw/zinc/01/90/25/572019025.db2.gz FSCZJZKQVMAPAF-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@@H+](C)C[C@@H]1CCC[NH2+]1 68998240 572019028 /nfs/dbraw/zinc/01/90/28/572019028.db2.gz FSCZJZKQVMAPAF-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[C@H]([NH3+])C[N@H+](C)CCOC 42460335 572019120 /nfs/dbraw/zinc/01/91/20/572019120.db2.gz SONBLIPPDOQRJH-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CCCC[C@H]([NH3+])C[N@@H+](C)CCOC 42460335 572019125 /nfs/dbraw/zinc/01/91/25/572019125.db2.gz SONBLIPPDOQRJH-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CSC[C@H](C)C[NH2+]Cc1c[nH+]c[nH]1 68999913 572019364 /nfs/dbraw/zinc/01/93/64/572019364.db2.gz NSGSOOGNVLICRV-MRVPVSSYSA-N 2 2 199.323 1.498 10 0 ADAELP CCC(C)(C)[N@H+](C)C[C@H]1CCC[NH2+]1 68998243 572019395 /nfs/dbraw/zinc/01/93/95/572019395.db2.gz FSCZJZKQVMAPAF-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@@H+](C)C[C@H]1CCC[NH2+]1 68998243 572019398 /nfs/dbraw/zinc/01/93/98/572019398.db2.gz FSCZJZKQVMAPAF-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+](CC1CCC1)[C@@H]1CCC[C@H]1[NH3+] 300239072 572019657 /nfs/dbraw/zinc/01/96/57/572019657.db2.gz YSTWBYBEZSLBCN-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+](CC1CCC1)[C@@H]1CCC[C@H]1[NH3+] 300239072 572019662 /nfs/dbraw/zinc/01/96/62/572019662.db2.gz YSTWBYBEZSLBCN-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CCC(C)(C)C[NH+]1CC2(C[NH2+]C2)C1 713198189 572019722 /nfs/dbraw/zinc/01/97/22/572019722.db2.gz CKIXAHRTEVHDPC-UHFFFAOYSA-N 2 2 182.311 1.328 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+]1CC[C@@H](C2CC2)C1 400310144 572021358 /nfs/dbraw/zinc/02/13/58/572021358.db2.gz ABYGPFSBXSJRTI-NEPJUHHUSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+]1CC[C@@H](C2CC2)C1 400310144 572021361 /nfs/dbraw/zinc/02/13/61/572021361.db2.gz ABYGPFSBXSJRTI-NEPJUHHUSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+]1CC[C@H](C2CC2)C1 400310145 572022213 /nfs/dbraw/zinc/02/22/13/572022213.db2.gz ABYGPFSBXSJRTI-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+]1CC[C@H](C2CC2)C1 400310145 572022216 /nfs/dbraw/zinc/02/22/16/572022216.db2.gz ABYGPFSBXSJRTI-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+]1CC[C@H](C2CC2)C1 400310146 572022946 /nfs/dbraw/zinc/02/29/46/572022946.db2.gz ABYGPFSBXSJRTI-RYUDHWBXSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+]1CC[C@H](C2CC2)C1 400310146 572022950 /nfs/dbraw/zinc/02/29/50/572022950.db2.gz ABYGPFSBXSJRTI-RYUDHWBXSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C(C)C 35586364 572023682 /nfs/dbraw/zinc/02/36/82/572023682.db2.gz JTVYSOGFPIWQQA-JTQLQIEISA-N 2 2 195.310 1.976 10 0 ADAELP C[NH2+]C[C@@H](C)CN(C)c1cccc[nH+]1 300247686 572023722 /nfs/dbraw/zinc/02/37/22/572023722.db2.gz ZUKHMAXSAHDLCJ-SNVBAGLBSA-N 2 2 193.294 1.373 10 0 ADAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)C1CC1 35586568 572023993 /nfs/dbraw/zinc/02/39/93/572023993.db2.gz JRQQNDOUWVQPDJ-SNVBAGLBSA-N 2 2 193.294 1.730 10 0 ADAELP CCC(CC)C[N@H+](CC)CC(N)=[NH2+] 42502965 572024286 /nfs/dbraw/zinc/02/42/86/572024286.db2.gz XFKDHOPRQLYVHE-UHFFFAOYSA-N 2 2 185.315 1.680 10 0 ADAELP CCC(CC)C[N@@H+](CC)CC(N)=[NH2+] 42502965 572024288 /nfs/dbraw/zinc/02/42/88/572024288.db2.gz XFKDHOPRQLYVHE-UHFFFAOYSA-N 2 2 185.315 1.680 10 0 ADAELP CCC[NH2+][C@H](C)Cc1[nH]cc[nH+]1 35586386 572024438 /nfs/dbraw/zinc/02/44/38/572024438.db2.gz SIWHFBCDNYBZFW-MRVPVSSYSA-N 2 2 167.256 1.340 10 0 ADAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1CC1 35586567 572024702 /nfs/dbraw/zinc/02/47/02/572024702.db2.gz JRQQNDOUWVQPDJ-JTQLQIEISA-N 2 2 193.294 1.730 10 0 ADAELP CCC[NH2+][C@@H](CC)Cc1[nH]cc[nH+]1 35586360 572025233 /nfs/dbraw/zinc/02/52/33/572025233.db2.gz VJBABAREMPTHSP-VIFPVBQESA-N 2 2 181.283 1.730 10 0 ADAELP CCCC[C@H](C)C[NH2+]CC[NH+](C)C 300893078 572025240 /nfs/dbraw/zinc/02/52/40/572025240.db2.gz HUXMXZJWTCPYHM-NSHDSACASA-N 2 2 186.343 1.964 10 0 ADAELP CCC[NH2+][C@H](CC)Cc1[nH]cc[nH+]1 35586362 572025443 /nfs/dbraw/zinc/02/54/43/572025443.db2.gz VJBABAREMPTHSP-SECBINFHSA-N 2 2 181.283 1.730 10 0 ADAELP CCCC[C@@H](C)C[NH2+]CC[NH+](C)C 300893075 572026240 /nfs/dbraw/zinc/02/62/40/572026240.db2.gz HUXMXZJWTCPYHM-LLVKDONJSA-N 2 2 186.343 1.964 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H]1C[C@@H]1C 35570474 572026388 /nfs/dbraw/zinc/02/63/88/572026388.db2.gz IHUKBVHTBDOXHU-LPEHRKFASA-N 2 2 193.294 1.586 10 0 ADAELP CC[C@H](C)[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503925 572026317 /nfs/dbraw/zinc/02/63/17/572026317.db2.gz JXLYJGMSPMQXIS-DTWKUNHWSA-N 2 2 181.283 1.586 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)CC(C)C 35504026 572026329 /nfs/dbraw/zinc/02/63/29/572026329.db2.gz UXGKZPIVAIBHBX-SECBINFHSA-N 2 2 181.283 1.586 10 0 ADAELP CC[NH2+][C@@H](CC)Cc1[nH]cc[nH+]1 35570075 572026435 /nfs/dbraw/zinc/02/64/35/572026435.db2.gz WKFDXHUBFFEWGB-QMMMGPOBSA-N 2 2 167.256 1.340 10 0 ADAELP CC[C@@H](C)[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503929 572026638 /nfs/dbraw/zinc/02/66/38/572026638.db2.gz JXLYJGMSPMQXIS-BDAKNGLRSA-N 2 2 181.283 1.586 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H](C)CC 35570284 572026526 /nfs/dbraw/zinc/02/65/26/572026526.db2.gz WRDDFNVTJNQQGH-VHSXEESVSA-N 2 2 195.310 1.976 10 0 ADAELP C[NH2+][C@H](CCC(C)C)Cc1[nH]cc[nH+]1 35503721 572026617 /nfs/dbraw/zinc/02/66/17/572026617.db2.gz JSVVHWIOMLNCAZ-SNVBAGLBSA-N 2 2 195.310 1.976 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C(C)(C)C 35570084 572027119 /nfs/dbraw/zinc/02/71/19/572027119.db2.gz UYGOSGHYGBKJHV-VIFPVBQESA-N 2 2 195.310 1.976 10 0 ADAELP CCC[C@H](C)[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503710 572026842 /nfs/dbraw/zinc/02/68/42/572026842.db2.gz YXJMVPUQEVPPIQ-VHSXEESVSA-N 2 2 195.310 1.976 10 0 ADAELP CCCC[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503589 572027828 /nfs/dbraw/zinc/02/78/28/572027828.db2.gz KCOHBCHIPPSTOX-VIFPVBQESA-N 2 2 181.283 1.730 10 0 ADAELP CCc1nc(C[NH+](C)C)sc1C[NH3+] 82425508 572026982 /nfs/dbraw/zinc/02/69/82/572026982.db2.gz POTCZCYZNRBKNN-UHFFFAOYSA-N 2 2 199.323 1.226 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)CC(C)(C)C 35503948 572027003 /nfs/dbraw/zinc/02/70/03/572027003.db2.gz LYFGJBIDBYWCPP-SECBINFHSA-N 2 2 195.310 1.976 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H]1C[C@H]1C 35504215 572027155 /nfs/dbraw/zinc/02/71/55/572027155.db2.gz BRPGFSMGXKXXGG-HRDYMLBCSA-N 2 2 179.267 1.196 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H](C)CC 35570282 572027211 /nfs/dbraw/zinc/02/72/11/572027211.db2.gz WRDDFNVTJNQQGH-NXEZZACHSA-N 2 2 195.310 1.976 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)CC(C)C 35504023 572027224 /nfs/dbraw/zinc/02/72/24/572027224.db2.gz UXGKZPIVAIBHBX-VIFPVBQESA-N 2 2 181.283 1.586 10 0 ADAELP CCCC[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503592 572027247 /nfs/dbraw/zinc/02/72/47/572027247.db2.gz KCOHBCHIPPSTOX-SECBINFHSA-N 2 2 181.283 1.730 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)C1CC1 35570336 572027397 /nfs/dbraw/zinc/02/73/97/572027397.db2.gz CRVVRDOIUFBRQD-SECBINFHSA-N 2 2 179.267 1.340 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)CC(C)C 35570338 572027407 /nfs/dbraw/zinc/02/74/07/572027407.db2.gz NNEVFFZGECUHJA-SNVBAGLBSA-N 2 2 195.310 1.976 10 0 ADAELP CCC(CC)[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35504262 572027420 /nfs/dbraw/zinc/02/74/20/572027420.db2.gz NMXWOVMWCKOKQV-SNVBAGLBSA-N 2 2 195.310 1.976 10 0 ADAELP CCC[C@@H](C)[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503708 572027423 /nfs/dbraw/zinc/02/74/23/572027423.db2.gz YXJMVPUQEVPPIQ-NXEZZACHSA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@H](C)[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503932 572027446 /nfs/dbraw/zinc/02/74/46/572027446.db2.gz JXLYJGMSPMQXIS-IUCAKERBSA-N 2 2 181.283 1.586 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1C[C@@H]1C 35504224 572027470 /nfs/dbraw/zinc/02/74/70/572027470.db2.gz BRPGFSMGXKXXGG-DJLDLDEBSA-N 2 2 179.267 1.196 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)CC(C)(C)C 35503952 572027820 /nfs/dbraw/zinc/02/78/20/572027820.db2.gz LYFGJBIDBYWCPP-VIFPVBQESA-N 2 2 195.310 1.976 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1CC1 35570334 572027738 /nfs/dbraw/zinc/02/77/38/572027738.db2.gz CRVVRDOIUFBRQD-VIFPVBQESA-N 2 2 179.267 1.340 10 0 ADAELP CC[NH2+][C@H](CC)Cc1[nH]cc[nH+]1 35570076 572028096 /nfs/dbraw/zinc/02/80/96/572028096.db2.gz WKFDXHUBFFEWGB-MRVPVSSYSA-N 2 2 167.256 1.340 10 0 ADAELP C[NH2+][C@@H](CCC(C)C)Cc1[nH]cc[nH+]1 35503718 572028148 /nfs/dbraw/zinc/02/81/48/572028148.db2.gz JSVVHWIOMLNCAZ-JTQLQIEISA-N 2 2 195.310 1.976 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C 35504221 572028156 /nfs/dbraw/zinc/02/81/56/572028156.db2.gz BRPGFSMGXKXXGG-IWSPIJDZSA-N 2 2 179.267 1.196 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H]1C[C@@H]1C 35504218 572028234 /nfs/dbraw/zinc/02/82/34/572028234.db2.gz BRPGFSMGXKXXGG-XHNCKOQMSA-N 2 2 179.267 1.196 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1CCC1 35570452 572029031 /nfs/dbraw/zinc/02/90/31/572029031.db2.gz TYMYRUOVZIYDKS-JTQLQIEISA-N 2 2 193.294 1.730 10 0 ADAELP CCC(CC)[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35504265 572028826 /nfs/dbraw/zinc/02/88/26/572028826.db2.gz NMXWOVMWCKOKQV-JTQLQIEISA-N 2 2 195.310 1.976 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@H](C)CC 35570285 572028866 /nfs/dbraw/zinc/02/88/66/572028866.db2.gz WRDDFNVTJNQQGH-ZJUUUORDSA-N 2 2 195.310 1.976 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)CC(C)C 35570340 572028928 /nfs/dbraw/zinc/02/89/28/572028928.db2.gz NNEVFFZGECUHJA-JTQLQIEISA-N 2 2 195.310 1.976 10 0 ADAELP CCC[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503624 572028934 /nfs/dbraw/zinc/02/89/34/572028934.db2.gz GTJNWBSOLSPUAV-QMMMGPOBSA-N 2 2 167.256 1.340 10 0 ADAELP CC[C@@H](C)[C@@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503922 572028986 /nfs/dbraw/zinc/02/89/86/572028986.db2.gz JXLYJGMSPMQXIS-RKDXNWHRSA-N 2 2 181.283 1.586 10 0 ADAELP CCC[C@H](C)[C@H](Cc1[nH]cc[nH+]1)[NH2+]C 35503716 572029005 /nfs/dbraw/zinc/02/90/05/572029005.db2.gz YXJMVPUQEVPPIQ-UWVGGRQHSA-N 2 2 195.310 1.976 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@@H](C)CC 35570286 572029019 /nfs/dbraw/zinc/02/90/19/572029019.db2.gz WRDDFNVTJNQQGH-UWVGGRQHSA-N 2 2 195.310 1.976 10 0 ADAELP CCCC[NH2+][C@@H]1CC[N@H+](C)C1 42544703 572030922 /nfs/dbraw/zinc/03/09/22/572030922.db2.gz TZLPNWKTKXFLSN-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCCC[NH2+][C@@H]1CC[N@@H+](C)C1 42544703 572030925 /nfs/dbraw/zinc/03/09/25/572030925.db2.gz TZLPNWKTKXFLSN-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1cccs1 35716905 572032712 /nfs/dbraw/zinc/03/27/12/572032712.db2.gz HIPVOOMOFLPTSX-VIFPVBQESA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1cccs1 35716905 572032713 /nfs/dbraw/zinc/03/27/13/572032713.db2.gz HIPVOOMOFLPTSX-VIFPVBQESA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccsc1 35718749 572032741 /nfs/dbraw/zinc/03/27/41/572032741.db2.gz TVXOXTCHQLDHHQ-JTQLQIEISA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccsc1 35718749 572032745 /nfs/dbraw/zinc/03/27/45/572032745.db2.gz TVXOXTCHQLDHHQ-JTQLQIEISA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@](C)(C[NH3+])[N@H+](C)Cc1ccco1 35701677 572032797 /nfs/dbraw/zinc/03/27/97/572032797.db2.gz LRGHGPDFUPKDAG-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccco1 35701677 572032801 /nfs/dbraw/zinc/03/28/01/572032801.db2.gz LRGHGPDFUPKDAG-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@](C)([NH3+])[C@@H]1[NH2+]Cc2ccccc21 687776187 572032956 /nfs/dbraw/zinc/03/29/56/572032956.db2.gz HHSSSWCUPFKWAJ-VXGBXAGGSA-N 2 2 190.290 1.958 10 0 ADAELP CC[C@](C)([NH3+])[C@H]1[NH2+]Cc2ccccc21 687776186 572033378 /nfs/dbraw/zinc/03/33/78/572033378.db2.gz HHSSSWCUPFKWAJ-RYUDHWBXSA-N 2 2 190.290 1.958 10 0 ADAELP C[N@H+](CCC(N)=[NH2+])Cc1ccsc1 35719327 572033452 /nfs/dbraw/zinc/03/34/52/572033452.db2.gz GISDZDLNZHPLOR-UHFFFAOYSA-N 2 2 197.307 1.506 10 0 ADAELP C[N@@H+](CCC(N)=[NH2+])Cc1ccsc1 35719327 572033455 /nfs/dbraw/zinc/03/34/55/572033455.db2.gz GISDZDLNZHPLOR-UHFFFAOYSA-N 2 2 197.307 1.506 10 0 ADAELP CC[C@](C)([NH3+])[C@@H]1[NH2+]Cc2ccccc21 687776184 572033476 /nfs/dbraw/zinc/03/34/76/572033476.db2.gz HHSSSWCUPFKWAJ-NEPJUHHUSA-N 2 2 190.290 1.958 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1ccsc1 35718751 572033552 /nfs/dbraw/zinc/03/35/52/572033552.db2.gz TVXOXTCHQLDHHQ-SNVBAGLBSA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1ccsc1 35718751 572033556 /nfs/dbraw/zinc/03/35/56/572033556.db2.gz TVXOXTCHQLDHHQ-SNVBAGLBSA-N 2 2 198.335 1.917 10 0 ADAELP C[N@H+](Cc1ccco1)C(C)(C)C[NH3+] 35701609 572033586 /nfs/dbraw/zinc/03/35/86/572033586.db2.gz XNVOKNSRQMUQPW-UHFFFAOYSA-N 2 2 182.267 1.449 10 0 ADAELP C[N@@H+](Cc1ccco1)C(C)(C)C[NH3+] 35701609 572033591 /nfs/dbraw/zinc/03/35/91/572033591.db2.gz XNVOKNSRQMUQPW-UHFFFAOYSA-N 2 2 182.267 1.449 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC12CCCCC2 687916800 572033750 /nfs/dbraw/zinc/03/37/50/572033750.db2.gz UIWAWOVLTKURSQ-VIFPVBQESA-N 2 2 195.310 1.719 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCC12CCCCC2 687916800 572033752 /nfs/dbraw/zinc/03/37/52/572033752.db2.gz UIWAWOVLTKURSQ-VIFPVBQESA-N 2 2 195.310 1.719 10 0 ADAELP C[N@H+](Cc1cccs1)C(C)(C)C[NH3+] 35717160 572034055 /nfs/dbraw/zinc/03/40/55/572034055.db2.gz CPAFYTIVMQSYJZ-UHFFFAOYSA-N 2 2 198.335 1.917 10 0 ADAELP C[N@@H+](Cc1cccs1)C(C)(C)C[NH3+] 35717160 572034057 /nfs/dbraw/zinc/03/40/57/572034057.db2.gz CPAFYTIVMQSYJZ-UHFFFAOYSA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@@](C)([NH3+])[C@H]1[NH2+]Cc2ccccc21 687776185 572034117 /nfs/dbraw/zinc/03/41/17/572034117.db2.gz HHSSSWCUPFKWAJ-NWDGAFQWSA-N 2 2 190.290 1.958 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1ccco1 35701227 572034222 /nfs/dbraw/zinc/03/42/22/572034222.db2.gz PESVIBQEGASYHW-SECBINFHSA-N 2 2 182.267 1.449 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1ccco1 35701227 572034225 /nfs/dbraw/zinc/03/42/25/572034225.db2.gz PESVIBQEGASYHW-SECBINFHSA-N 2 2 182.267 1.449 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C)o1 35699314 572034563 /nfs/dbraw/zinc/03/45/63/572034563.db2.gz OJYQWKIYHFJVAF-JTQLQIEISA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C)o1 35699314 572034566 /nfs/dbraw/zinc/03/45/66/572034566.db2.gz OJYQWKIYHFJVAF-JTQLQIEISA-N 2 2 196.294 1.757 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCC12CCCCC2 687916799 572034581 /nfs/dbraw/zinc/03/45/81/572034581.db2.gz UIWAWOVLTKURSQ-SECBINFHSA-N 2 2 195.310 1.719 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+]1CCC12CCCCC2 687916799 572034584 /nfs/dbraw/zinc/03/45/84/572034584.db2.gz UIWAWOVLTKURSQ-SECBINFHSA-N 2 2 195.310 1.719 10 0 ADAELP C[N@H+](Cc1ccsc1)C(C)(C)C[NH3+] 35719018 572034623 /nfs/dbraw/zinc/03/46/23/572034623.db2.gz FFJTVTVECOINLT-UHFFFAOYSA-N 2 2 198.335 1.917 10 0 ADAELP C[N@@H+](Cc1ccsc1)C(C)(C)C[NH3+] 35719018 572034626 /nfs/dbraw/zinc/03/46/26/572034626.db2.gz FFJTVTVECOINLT-UHFFFAOYSA-N 2 2 198.335 1.917 10 0 ADAELP CC(C)[C@H](C[NH3+])[N@H+](C)Cc1ccco1 35701246 572034734 /nfs/dbraw/zinc/03/47/34/572034734.db2.gz ICNYNACVVHIPRC-NSHDSACASA-N 2 2 196.294 1.695 10 0 ADAELP CC(C)[C@H](C[NH3+])[N@@H+](C)Cc1ccco1 35701246 572034737 /nfs/dbraw/zinc/03/47/37/572034737.db2.gz ICNYNACVVHIPRC-NSHDSACASA-N 2 2 196.294 1.695 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccco1 35701224 572034811 /nfs/dbraw/zinc/03/48/11/572034811.db2.gz PESVIBQEGASYHW-VIFPVBQESA-N 2 2 182.267 1.449 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccco1 35701224 572034816 /nfs/dbraw/zinc/03/48/16/572034816.db2.gz PESVIBQEGASYHW-VIFPVBQESA-N 2 2 182.267 1.449 10 0 ADAELP CCC[C@@H](C[NH3+])[N@H+](C)Cc1ccco1 35701219 572035114 /nfs/dbraw/zinc/03/51/14/572035114.db2.gz OEUXMQRXRICSAI-JTQLQIEISA-N 2 2 196.294 1.839 10 0 ADAELP CCC[C@@H](C[NH3+])[N@@H+](C)Cc1ccco1 35701219 572035117 /nfs/dbraw/zinc/03/51/17/572035117.db2.gz OEUXMQRXRICSAI-JTQLQIEISA-N 2 2 196.294 1.839 10 0 ADAELP C/C=C/C[N@@H+](CC)[C@H]1CCC[NH2+]C1 82500827 572035169 /nfs/dbraw/zinc/03/51/69/572035169.db2.gz GHQBBPJDDKWAHW-TZNOJPMFSA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C/C[N@H+](CC)[C@H]1CCC[NH2+]C1 82500827 572035172 /nfs/dbraw/zinc/03/51/72/572035172.db2.gz GHQBBPJDDKWAHW-TZNOJPMFSA-N 2 2 182.311 1.636 10 0 ADAELP CCC[C@H](C[NH3+])[N@H+](C)Cc1ccco1 35701222 572035247 /nfs/dbraw/zinc/03/52/47/572035247.db2.gz OEUXMQRXRICSAI-SNVBAGLBSA-N 2 2 196.294 1.839 10 0 ADAELP CCC[C@H](C[NH3+])[N@@H+](C)Cc1ccco1 35701222 572035250 /nfs/dbraw/zinc/03/52/50/572035250.db2.gz OEUXMQRXRICSAI-SNVBAGLBSA-N 2 2 196.294 1.839 10 0 ADAELP CC(C)[C@@H](C[NH3+])[N@H+](C)Cc1ccco1 35701244 572035477 /nfs/dbraw/zinc/03/54/77/572035477.db2.gz ICNYNACVVHIPRC-LLVKDONJSA-N 2 2 196.294 1.695 10 0 ADAELP CC(C)[C@@H](C[NH3+])[N@@H+](C)Cc1ccco1 35701244 572035479 /nfs/dbraw/zinc/03/54/79/572035479.db2.gz ICNYNACVVHIPRC-LLVKDONJSA-N 2 2 196.294 1.695 10 0 ADAELP CC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccco1 35701674 572035728 /nfs/dbraw/zinc/03/57/28/572035728.db2.gz LRGHGPDFUPKDAG-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccco1 35701674 572035730 /nfs/dbraw/zinc/03/57/30/572035730.db2.gz LRGHGPDFUPKDAG-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1ccc(C)o1 35699316 572035736 /nfs/dbraw/zinc/03/57/36/572035736.db2.gz OJYQWKIYHFJVAF-SNVBAGLBSA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C)o1 35699316 572035737 /nfs/dbraw/zinc/03/57/37/572035737.db2.gz OJYQWKIYHFJVAF-SNVBAGLBSA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1cccs1 35716907 572035764 /nfs/dbraw/zinc/03/57/64/572035764.db2.gz HIPVOOMOFLPTSX-SECBINFHSA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1cccs1 35716907 572035766 /nfs/dbraw/zinc/03/57/66/572035766.db2.gz HIPVOOMOFLPTSX-SECBINFHSA-N 2 2 198.335 1.917 10 0 ADAELP C/C=C/C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 82500825 572036251 /nfs/dbraw/zinc/03/62/51/572036251.db2.gz GHQBBPJDDKWAHW-JOAKQRRISA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C/C[N@H+](CC)[C@@H]1CCC[NH2+]C1 82500825 572036254 /nfs/dbraw/zinc/03/62/54/572036254.db2.gz GHQBBPJDDKWAHW-JOAKQRRISA-N 2 2 182.311 1.636 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(C)c(F)c1 82503623 572037082 /nfs/dbraw/zinc/03/70/82/572037082.db2.gz LUXUDOJSAWKKLZ-NSHDSACASA-N 2 2 196.269 1.743 10 0 ADAELP C[C@H](Cc1ccco1)[N@@H+]1CC[C@H]([NH3+])C1 42590186 572038721 /nfs/dbraw/zinc/03/87/21/572038721.db2.gz QRZBCMYSFADBTD-ZJUUUORDSA-N 2 2 194.278 1.244 10 0 ADAELP C[C@H](Cc1ccco1)[N@H+]1CC[C@H]([NH3+])C1 42590186 572038725 /nfs/dbraw/zinc/03/87/25/572038725.db2.gz QRZBCMYSFADBTD-ZJUUUORDSA-N 2 2 194.278 1.244 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])CC1 82489046 572039538 /nfs/dbraw/zinc/03/95/38/572039538.db2.gz UXVVNRSHHGGQFW-SDDRHHMPSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])CC1 82489046 572039540 /nfs/dbraw/zinc/03/95/40/572039540.db2.gz UXVVNRSHHGGQFW-SDDRHHMPSA-N 2 2 196.338 1.988 10 0 ADAELP CCCC(=[NH2+])N1CC[N@H+](C)[C@H](CC)C1 82477389 572040491 /nfs/dbraw/zinc/04/04/91/572040491.db2.gz KHKCJZLIEVPKJH-SNVBAGLBSA-N 2 2 197.326 1.790 10 0 ADAELP CCCC(=[NH2+])N1CC[N@@H+](C)[C@H](CC)C1 82477389 572040496 /nfs/dbraw/zinc/04/04/96/572040496.db2.gz KHKCJZLIEVPKJH-SNVBAGLBSA-N 2 2 197.326 1.790 10 0 ADAELP C[C@H]1SCC[C@@H]1[NH2+]CC[NH+](C)C 235603226 572041765 /nfs/dbraw/zinc/04/17/65/572041765.db2.gz HIZCUHJXPFPMAQ-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH+](C)CC[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 82527902 572042133 /nfs/dbraw/zinc/04/21/33/572042133.db2.gz HCPRDTARUVKLTN-QJPTWQEYSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+](C)CC1CCCC1 82492457 572042149 /nfs/dbraw/zinc/04/21/49/572042149.db2.gz WRKNGNUTJFNZSF-MRVPVSSYSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+](C)CC1CCCC1 82492457 572042152 /nfs/dbraw/zinc/04/21/52/572042152.db2.gz WRKNGNUTJFNZSF-MRVPVSSYSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+](C)CC1CCCC1 82492455 572042240 /nfs/dbraw/zinc/04/22/40/572042240.db2.gz WRKNGNUTJFNZSF-QMMMGPOBSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+](C)CC1CCCC1 82492455 572042242 /nfs/dbraw/zinc/04/22/42/572042242.db2.gz WRKNGNUTJFNZSF-QMMMGPOBSA-N 2 2 183.299 1.433 10 0 ADAELP C[NH+](C)CC[NH2+]C[C@@H]1C[C@H]2CC[C@@H]1C2 82527901 572042317 /nfs/dbraw/zinc/04/23/17/572042317.db2.gz HCPRDTARUVKLTN-TUAOUCFPSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCCC[C@H]1C 42607216 572042358 /nfs/dbraw/zinc/04/23/58/572042358.db2.gz COSFQCIDGKYCMK-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCCC[C@H]1C 42607216 572042359 /nfs/dbraw/zinc/04/23/59/572042359.db2.gz COSFQCIDGKYCMK-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)CC1CCCC1 82492220 572042385 /nfs/dbraw/zinc/04/23/85/572042385.db2.gz CIRMHYROVIILFX-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CCCC1 82492220 572042387 /nfs/dbraw/zinc/04/23/87/572042387.db2.gz CIRMHYROVIILFX-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP CSC[C@@H](C)[N@H+](C)C1(C[NH3+])CC1 235047212 572043055 /nfs/dbraw/zinc/04/30/55/572043055.db2.gz JSYIQCYRKLZQFF-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP CSC[C@@H](C)[N@@H+](C)C1(C[NH3+])CC1 235047212 572043061 /nfs/dbraw/zinc/04/30/61/572043061.db2.gz JSYIQCYRKLZQFF-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP CSCCn1c[nH+]c(C[C@@H](C)[NH3+])c1 235046745 572043250 /nfs/dbraw/zinc/04/32/50/572043250.db2.gz JSKBYEKVXNXQLW-MRVPVSSYSA-N 2 2 199.323 1.136 10 0 ADAELP C[C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](C)[NH3+] 42607217 572043400 /nfs/dbraw/zinc/04/34/00/572043400.db2.gz COSFQCIDGKYCMK-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCCC[C@H]1[N@H+](C)C[C@@H](C)[NH3+] 42607217 572043402 /nfs/dbraw/zinc/04/34/02/572043402.db2.gz COSFQCIDGKYCMK-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CSC[C@H](C)[N@H+](C)C1(C[NH3+])CC1 235062575 572043940 /nfs/dbraw/zinc/04/39/40/572043940.db2.gz JSYIQCYRKLZQFF-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP CSC[C@H](C)[N@@H+](C)C1(C[NH3+])CC1 235062575 572043941 /nfs/dbraw/zinc/04/39/41/572043941.db2.gz JSYIQCYRKLZQFF-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP CC(C)CCn1c[nH+]c(CC[NH3+])c1 82534059 572044012 /nfs/dbraw/zinc/04/40/12/572044012.db2.gz HETSJWHZMTUQPR-UHFFFAOYSA-N 2 2 181.283 1.430 10 0 ADAELP CSCCn1c[nH+]c(C[C@H](C)[NH3+])c1 235046769 572044286 /nfs/dbraw/zinc/04/42/86/572044286.db2.gz JSKBYEKVXNXQLW-QMMMGPOBSA-N 2 2 199.323 1.136 10 0 ADAELP CC(C)CC[N@@H+]1C[C@H](C)C[NH2+]C[C@H]1C 219731753 572045761 /nfs/dbraw/zinc/04/57/61/572045761.db2.gz YDQXNSXQGTXOEP-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)CC[N@H+]1C[C@H](C)C[NH2+]C[C@H]1C 219731753 572045765 /nfs/dbraw/zinc/04/57/65/572045765.db2.gz YDQXNSXQGTXOEP-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CCOc1cc(NCC[NH3+])ccc1[NH3+] 82523696 572046118 /nfs/dbraw/zinc/04/61/18/572046118.db2.gz AFYVTFVIUWKPBL-UHFFFAOYSA-N 2 2 195.266 1.038 10 0 ADAELP Cc1cc(N)[nH+]c(CC[C@H](C)[NH3+])c1 33992242 572047145 /nfs/dbraw/zinc/04/71/45/572047145.db2.gz VDCMGHQLHWGCKU-QMMMGPOBSA-N 2 2 179.267 1.252 10 0 ADAELP Cc1cc(N)[nH+]c(CC[C@@H](C)[NH3+])c1 34016911 572047382 /nfs/dbraw/zinc/04/73/82/572047382.db2.gz VDCMGHQLHWGCKU-MRVPVSSYSA-N 2 2 179.267 1.252 10 0 ADAELP CC[C@@H](C)c1[nH]c(C[NH2+]C)c[nH+]1 82562992 572052614 /nfs/dbraw/zinc/05/26/14/572052614.db2.gz CUJPPDMRYZATAB-SSDOTTSWSA-N 2 2 167.256 1.643 10 0 ADAELP CCOCC[N@H+](CC)C[C@H]([NH3+])CC 82536916 572052632 /nfs/dbraw/zinc/05/26/32/572052632.db2.gz DXUYTLKWMPPMEK-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCOCC[N@@H+](CC)C[C@H]([NH3+])CC 82536916 572052635 /nfs/dbraw/zinc/05/26/35/572052635.db2.gz DXUYTLKWMPPMEK-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CC[C@H](C)c1[nH]c(C[NH2+]C)c[nH+]1 82562993 572053019 /nfs/dbraw/zinc/05/30/19/572053019.db2.gz CUJPPDMRYZATAB-ZETCQYMHSA-N 2 2 167.256 1.643 10 0 ADAELP CCOCC[N@H+](CC)C[C@@H]([NH3+])CC 82536913 572053667 /nfs/dbraw/zinc/05/36/67/572053667.db2.gz DXUYTLKWMPPMEK-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CCOCC[N@@H+](CC)C[C@@H]([NH3+])CC 82536913 572053669 /nfs/dbraw/zinc/05/36/69/572053669.db2.gz DXUYTLKWMPPMEK-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CC[C@H](C)C[C@H]([NH3+])C[NH+]1CC=CC1 400896044 572054269 /nfs/dbraw/zinc/05/42/69/572054269.db2.gz JDJFZCQERBPYHQ-QWRGUYRKSA-N 2 2 182.311 1.622 10 0 ADAELP CC[NH2+]CC[N@H+](C)CCCC1CC1 400899075 572056115 /nfs/dbraw/zinc/05/61/15/572056115.db2.gz KVYIHDLAJHGDHC-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CC[NH2+]CC[N@@H+](C)CCCC1CC1 400899075 572056119 /nfs/dbraw/zinc/05/61/19/572056119.db2.gz KVYIHDLAJHGDHC-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CC[C@H](C)C[C@@H]([NH3+])C[NH+]1CC=CC1 400896045 572056190 /nfs/dbraw/zinc/05/61/90/572056190.db2.gz JDJFZCQERBPYHQ-WDEREUQCSA-N 2 2 182.311 1.622 10 0 ADAELP CCc1cc(N[C@@H](CC)C[NH3+])nc[nH+]1 82591803 572056294 /nfs/dbraw/zinc/05/62/94/572056294.db2.gz AHLMRMATEZYIMX-VIFPVBQESA-N 2 2 194.282 1.188 10 0 ADAELP c1ccc(NCCC[NH2+]C2CC2)[nH+]c1 36269464 572056316 /nfs/dbraw/zinc/05/63/16/572056316.db2.gz YUTQGRBFQCKMJH-UHFFFAOYSA-N 2 2 191.278 1.636 10 0 ADAELP CCc1cc(N[C@H](CC)C[NH3+])nc[nH+]1 82591804 572056948 /nfs/dbraw/zinc/05/69/48/572056948.db2.gz AHLMRMATEZYIMX-SECBINFHSA-N 2 2 194.282 1.188 10 0 ADAELP CCCc1cc(NC[C@@H](C)[NH3+])nc[nH+]1 82575484 572057496 /nfs/dbraw/zinc/05/74/96/572057496.db2.gz IHUCAHGVCAZMOL-MRVPVSSYSA-N 2 2 194.282 1.188 10 0 ADAELP CC[C@@H](CC(N)=[NH2+])n1cc[nH+]c1 36678708 572057843 /nfs/dbraw/zinc/05/78/43/572057843.db2.gz VZVWWQIGSXATJL-ZETCQYMHSA-N 2 2 166.228 1.160 10 0 ADAELP CC[C@H](CC(N)=[NH2+])n1cc[nH+]c1 36678709 572060263 /nfs/dbraw/zinc/06/02/63/572060263.db2.gz VZVWWQIGSXATJL-SSDOTTSWSA-N 2 2 166.228 1.160 10 0 ADAELP Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)C[NH3+] 235094612 572060347 /nfs/dbraw/zinc/06/03/47/572060347.db2.gz QXSTVTAVCNGYBD-NKWVEPMBSA-N 2 2 197.282 1.289 10 0 ADAELP Cc1c[nH]c(NCCn2cc[nH+]c2)[nH+]1 235849715 572061266 /nfs/dbraw/zinc/06/12/66/572061266.db2.gz HXHCLCZKRHHXST-UHFFFAOYSA-N 2 2 191.238 1.027 10 0 ADAELP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccn1 235096826 572061300 /nfs/dbraw/zinc/06/13/00/572061300.db2.gz MMVHPSFNAUUVHJ-DTWKUNHWSA-N 2 2 179.267 1.079 10 0 ADAELP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccncc1 235097011 572062176 /nfs/dbraw/zinc/06/21/76/572062176.db2.gz MLUQVYYRDDZZSJ-DTWKUNHWSA-N 2 2 179.267 1.079 10 0 ADAELP CCC(CC)[N@H+](C)[C@@H]1CCC[NH2+]C1 36789194 572062699 /nfs/dbraw/zinc/06/26/99/572062699.db2.gz WUZLEOCMBNYJRQ-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+](C)[C@@H]1CCC[NH2+]C1 36789194 572062702 /nfs/dbraw/zinc/06/27/02/572062702.db2.gz WUZLEOCMBNYJRQ-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCc1cc(NC[C@@H]([NH3+])CC)nc[nH+]1 82579291 572062703 /nfs/dbraw/zinc/06/27/03/572062703.db2.gz VNAFPRSXYNKRFB-QMMMGPOBSA-N 2 2 194.282 1.188 10 0 ADAELP C1CC[C@@H]2[C@H](C1)[NH2+]C[C@H]1CCC[N@H+]12 34189003 572063095 /nfs/dbraw/zinc/06/30/95/572063095.db2.gz IKXKDNOUZOFRSH-OUAUKWLOSA-N 2 2 180.295 1.365 10 0 ADAELP C1CC[C@@H]2[C@H](C1)[NH2+]C[C@H]1CCC[N@@H+]12 34189003 572063097 /nfs/dbraw/zinc/06/30/97/572063097.db2.gz IKXKDNOUZOFRSH-OUAUKWLOSA-N 2 2 180.295 1.365 10 0 ADAELP C1CC[C@@H]2[C@@H](C1)[NH2+]C[C@H]1CCC[N@H+]12 34188999 572063245 /nfs/dbraw/zinc/06/32/45/572063245.db2.gz IKXKDNOUZOFRSH-GMTAPVOTSA-N 2 2 180.295 1.365 10 0 ADAELP C1CC[C@@H]2[C@@H](C1)[NH2+]C[C@H]1CCC[N@@H+]12 34188999 572063250 /nfs/dbraw/zinc/06/32/50/572063250.db2.gz IKXKDNOUZOFRSH-GMTAPVOTSA-N 2 2 180.295 1.365 10 0 ADAELP CCC(CC)[N@H+](C)[C@H]1CCC[NH2+]C1 36789195 572063466 /nfs/dbraw/zinc/06/34/66/572063466.db2.gz WUZLEOCMBNYJRQ-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+](C)[C@H]1CCC[NH2+]C1 36789195 572063468 /nfs/dbraw/zinc/06/34/68/572063468.db2.gz WUZLEOCMBNYJRQ-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccnc1 235096873 572063637 /nfs/dbraw/zinc/06/36/37/572063637.db2.gz FEFPTKIDFMDBOS-DTWKUNHWSA-N 2 2 179.267 1.079 10 0 ADAELP C[NH2+][C@@H](C[C@H]1CC=CCC1)C[NH+](C)C 402240874 572063773 /nfs/dbraw/zinc/06/37/73/572063773.db2.gz BTJSZWSAQUSJDF-RYUDHWBXSA-N 2 2 196.338 1.882 10 0 ADAELP CCC(CC)[N@H+](C)C[C@H]1CCC[NH2+]1 36789296 572065020 /nfs/dbraw/zinc/06/50/20/572065020.db2.gz VOVSMFQNIAJFRN-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+](C)C[C@@H]1CCC[NH2+]1 36789295 572064182 /nfs/dbraw/zinc/06/41/82/572064182.db2.gz VOVSMFQNIAJFRN-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+](C)C[C@@H]1CCC[NH2+]1 36789295 572064184 /nfs/dbraw/zinc/06/41/84/572064184.db2.gz VOVSMFQNIAJFRN-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 36788999 572064239 /nfs/dbraw/zinc/06/42/39/572064239.db2.gz BVKLRHRZGCZTRS-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CCC(CC)[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 36788999 572064236 /nfs/dbraw/zinc/06/42/36/572064236.db2.gz BVKLRHRZGCZTRS-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@@H](C)C1CC1 36785132 572065694 /nfs/dbraw/zinc/06/56/94/572065694.db2.gz UHYBKMNKUNXCRS-NGZCFLSTSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 36785132 572065695 /nfs/dbraw/zinc/06/56/95/572065695.db2.gz UHYBKMNKUNXCRS-NGZCFLSTSA-N 2 2 184.327 1.843 10 0 ADAELP C[N@H+](Cc1cccnc1)C(C)(C)C[NH3+] 36770979 572064537 /nfs/dbraw/zinc/06/45/37/572064537.db2.gz COAKCUDAECBNQA-UHFFFAOYSA-N 2 2 193.294 1.251 10 0 ADAELP C[N@@H+](Cc1cccnc1)C(C)(C)C[NH3+] 36770979 572064539 /nfs/dbraw/zinc/06/45/39/572064539.db2.gz COAKCUDAECBNQA-UHFFFAOYSA-N 2 2 193.294 1.251 10 0 ADAELP CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]1 36787561 572064630 /nfs/dbraw/zinc/06/46/30/572064630.db2.gz RDURFLVRMQDQOY-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]1 36787561 572064633 /nfs/dbraw/zinc/06/46/33/572064633.db2.gz RDURFLVRMQDQOY-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+](C)[C@@H](C)C1CC1 36785632 572064676 /nfs/dbraw/zinc/06/46/76/572064676.db2.gz YUGDRKWOANQTTE-GXSJLCMTSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+](C)[C@@H](C)C1CC1 36785632 572064679 /nfs/dbraw/zinc/06/46/79/572064679.db2.gz YUGDRKWOANQTTE-GXSJLCMTSA-N 2 2 184.327 1.700 10 0 ADAELP C[NH2+][C@H](C[C@@H]1CC=CCC1)C[NH+](C)C 402240875 572065004 /nfs/dbraw/zinc/06/50/04/572065004.db2.gz BTJSZWSAQUSJDF-VXGBXAGGSA-N 2 2 196.338 1.882 10 0 ADAELP CCC(CC)[N@@H+](C)C[C@H]1CCC[NH2+]1 36789296 572065024 /nfs/dbraw/zinc/06/50/24/572065024.db2.gz VOVSMFQNIAJFRN-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648320 572065703 /nfs/dbraw/zinc/06/57/03/572065703.db2.gz LEPNZVTZPNJJAI-ZRUFSTJUSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648320 572065705 /nfs/dbraw/zinc/06/57/05/572065705.db2.gz LEPNZVTZPNJJAI-ZRUFSTJUSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+](C)[C@H](C)C(C)C 36787577 572065363 /nfs/dbraw/zinc/06/53/63/572065363.db2.gz VFNKBPNJBWQVLQ-MNOVXSKESA-N 2 2 186.343 1.946 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+](C)[C@H](C)C(C)C 36787577 572065366 /nfs/dbraw/zinc/06/53/66/572065366.db2.gz VFNKBPNJBWQVLQ-MNOVXSKESA-N 2 2 186.343 1.946 10 0 ADAELP CCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH2+]C 82646993 572065789 /nfs/dbraw/zinc/06/57/89/572065789.db2.gz XRESIPLLROCDST-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH2+]C 82646993 572065794 /nfs/dbraw/zinc/06/57/94/572065794.db2.gz XRESIPLLROCDST-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1cccnc1 36770872 572065867 /nfs/dbraw/zinc/06/58/67/572065867.db2.gz BGQCSAAZFMDZDZ-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1cccnc1 36770872 572065870 /nfs/dbraw/zinc/06/58/70/572065870.db2.gz BGQCSAAZFMDZDZ-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)CC[NH2+]C(C)(C)C 82648329 572065934 /nfs/dbraw/zinc/06/59/34/572065934.db2.gz QTMDYNICVKIPLS-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[NH2+]C(C)(C)C 82648329 572065936 /nfs/dbraw/zinc/06/59/36/572065936.db2.gz QTMDYNICVKIPLS-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+](C)[C@@H](C)C1CC1 36785633 572065978 /nfs/dbraw/zinc/06/59/78/572065978.db2.gz YUGDRKWOANQTTE-ONGXEEELSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)C1CC1 36785633 572065980 /nfs/dbraw/zinc/06/59/80/572065980.db2.gz YUGDRKWOANQTTE-ONGXEEELSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82648317 572066053 /nfs/dbraw/zinc/06/60/53/572066053.db2.gz HFVLKOQIHUQBOH-NAKRPEOUSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82648317 572066056 /nfs/dbraw/zinc/06/60/56/572066056.db2.gz HFVLKOQIHUQBOH-NAKRPEOUSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)[C@@H](C)C1CC1 36785134 572066063 /nfs/dbraw/zinc/06/60/63/572066063.db2.gz UHYBKMNKUNXCRS-QXEWZRGKSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 36785134 572066065 /nfs/dbraw/zinc/06/60/65/572066065.db2.gz UHYBKMNKUNXCRS-QXEWZRGKSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82648316 572066136 /nfs/dbraw/zinc/06/61/36/572066136.db2.gz HFVLKOQIHUQBOH-ZRUFSTJUSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82648316 572066139 /nfs/dbraw/zinc/06/61/39/572066139.db2.gz HFVLKOQIHUQBOH-ZRUFSTJUSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccncc1 36775612 572066202 /nfs/dbraw/zinc/06/62/02/572066202.db2.gz AVNRDGIDPQADAN-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccncc1 36775612 572066207 /nfs/dbraw/zinc/06/62/07/572066207.db2.gz AVNRDGIDPQADAN-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1cccnc1 36770873 572066338 /nfs/dbraw/zinc/06/63/38/572066338.db2.gz BGQCSAAZFMDZDZ-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1cccnc1 36770873 572066339 /nfs/dbraw/zinc/06/63/39/572066339.db2.gz BGQCSAAZFMDZDZ-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP [NH3+]CC[C@@H]1C[NH2+]c2ccc(O)cc21 34237080 572066350 /nfs/dbraw/zinc/06/63/50/572066350.db2.gz FIADRAIKXUISOM-SSDOTTSWSA-N 2 2 178.235 1.250 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)C[C@H]1C[C@H]1C 82648459 572066353 /nfs/dbraw/zinc/06/63/53/572066353.db2.gz ODEXKWHUOMXLLR-GHMZBOCLSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)C[C@H]1C[C@H]1C 82648459 572066356 /nfs/dbraw/zinc/06/63/56/572066356.db2.gz ODEXKWHUOMXLLR-GHMZBOCLSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@H+](C)C[C@@H]1C[C@@H]1C 82648414 572066362 /nfs/dbraw/zinc/06/63/62/572066362.db2.gz NPDCSMWSICPPTP-FIQHERPVSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C 82648414 572066365 /nfs/dbraw/zinc/06/63/65/572066365.db2.gz NPDCSMWSICPPTP-FIQHERPVSA-N 2 2 196.338 1.715 10 0 ADAELP CCC(CC)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36788998 572066378 /nfs/dbraw/zinc/06/63/78/572066378.db2.gz BVKLRHRZGCZTRS-WDEREUQCSA-N 2 2 184.327 1.987 10 0 ADAELP CCC(CC)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36788998 572066382 /nfs/dbraw/zinc/06/63/82/572066382.db2.gz BVKLRHRZGCZTRS-WDEREUQCSA-N 2 2 184.327 1.987 10 0 ADAELP CC[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]1C 82648334 572066436 /nfs/dbraw/zinc/06/64/36/572066436.db2.gz KADLUNWZOSIGOS-VHSXEESVSA-N 2 2 170.300 1.184 10 0 ADAELP CC[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]1C 82648334 572066442 /nfs/dbraw/zinc/06/64/42/572066442.db2.gz KADLUNWZOSIGOS-VHSXEESVSA-N 2 2 170.300 1.184 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)C[C@H]([NH3+])C(C)C 36787578 572066593 /nfs/dbraw/zinc/06/65/93/572066593.db2.gz VFNKBPNJBWQVLQ-QWRGUYRKSA-N 2 2 186.343 1.946 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)C[C@H]([NH3+])C(C)C 36787578 572066596 /nfs/dbraw/zinc/06/65/96/572066596.db2.gz VFNKBPNJBWQVLQ-QWRGUYRKSA-N 2 2 186.343 1.946 10 0 ADAELP C[N@@H+](c1cc[nH+]cc1N)n1cccc1 34254008 572066710 /nfs/dbraw/zinc/06/67/10/572066710.db2.gz SLDQZNAKFVSJAT-UHFFFAOYSA-N 2 2 188.234 1.365 10 0 ADAELP C[N@H+](c1cc[nH+]cc1N)n1cccc1 34254008 572066711 /nfs/dbraw/zinc/06/67/11/572066711.db2.gz SLDQZNAKFVSJAT-UHFFFAOYSA-N 2 2 188.234 1.365 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648452 572066787 /nfs/dbraw/zinc/06/67/87/572066787.db2.gz KMIQJGWGOSDMJD-FIQHERPVSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648452 572066790 /nfs/dbraw/zinc/06/67/90/572066790.db2.gz KMIQJGWGOSDMJD-FIQHERPVSA-N 2 2 196.338 1.844 10 0 ADAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C 82647177 572066912 /nfs/dbraw/zinc/06/69/12/572066912.db2.gz SFAGAUZVFLNJLO-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C 82647177 572066915 /nfs/dbraw/zinc/06/69/15/572066915.db2.gz SFAGAUZVFLNJLO-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82648318 572066963 /nfs/dbraw/zinc/06/69/63/572066963.db2.gz HFVLKOQIHUQBOH-XWLWVQCSSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82648318 572066967 /nfs/dbraw/zinc/06/69/67/572066967.db2.gz HFVLKOQIHUQBOH-XWLWVQCSSA-N 2 2 184.327 1.700 10 0 ADAELP CCC[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]1C 82648342 572067000 /nfs/dbraw/zinc/06/70/00/572067000.db2.gz LIRAHLPMWMOCMM-WDEREUQCSA-N 2 2 184.327 1.574 10 0 ADAELP [NH3+]CC[C@H]1C[NH2+]c2ccc(O)cc21 34237081 572067002 /nfs/dbraw/zinc/06/70/02/572067002.db2.gz FIADRAIKXUISOM-ZETCQYMHSA-N 2 2 178.235 1.250 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]1C 82648342 572067005 /nfs/dbraw/zinc/06/70/05/572067005.db2.gz LIRAHLPMWMOCMM-WDEREUQCSA-N 2 2 184.327 1.574 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]1 36787562 572067253 /nfs/dbraw/zinc/06/72/53/572067253.db2.gz RDURFLVRMQDQOY-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1ccccn1 36777133 572067071 /nfs/dbraw/zinc/06/70/71/572067071.db2.gz LMPAYCYDMOBDOG-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1ccccn1 36777133 572067075 /nfs/dbraw/zinc/06/70/75/572067075.db2.gz LMPAYCYDMOBDOG-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82648315 572067100 /nfs/dbraw/zinc/06/71/00/572067100.db2.gz HFVLKOQIHUQBOH-VLEAKVRGSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82648315 572067105 /nfs/dbraw/zinc/06/71/05/572067105.db2.gz HFVLKOQIHUQBOH-VLEAKVRGSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccccn1 36777132 572067214 /nfs/dbraw/zinc/06/72/14/572067214.db2.gz LMPAYCYDMOBDOG-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccccn1 36777132 572067216 /nfs/dbraw/zinc/06/72/16/572067216.db2.gz LMPAYCYDMOBDOG-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]1 36787562 572067250 /nfs/dbraw/zinc/06/72/50/572067250.db2.gz RDURFLVRMQDQOY-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1ccncc1 36775613 572067386 /nfs/dbraw/zinc/06/73/86/572067386.db2.gz AVNRDGIDPQADAN-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1ccncc1 36775613 572067389 /nfs/dbraw/zinc/06/73/89/572067389.db2.gz AVNRDGIDPQADAN-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)CC[NH2+]C(C)(C)C 82648332 572067411 /nfs/dbraw/zinc/06/74/11/572067411.db2.gz QTMDYNICVKIPLS-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)CC[NH2+]C(C)(C)C 82648332 572067416 /nfs/dbraw/zinc/06/74/16/572067416.db2.gz QTMDYNICVKIPLS-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]1C 82648460 572067698 /nfs/dbraw/zinc/06/76/98/572067698.db2.gz ODEXKWHUOMXLLR-WDEREUQCSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]1C 82648460 572067701 /nfs/dbraw/zinc/06/77/01/572067701.db2.gz ODEXKWHUOMXLLR-WDEREUQCSA-N 2 2 184.327 1.572 10 0 ADAELP C[N@H+](Cc1ccccn1)C(C)(C)C[NH3+] 36777240 572067738 /nfs/dbraw/zinc/06/77/38/572067738.db2.gz XDLWWQKFYLSWHY-UHFFFAOYSA-N 2 2 193.294 1.251 10 0 ADAELP C[N@@H+](Cc1ccccn1)C(C)(C)C[NH3+] 36777240 572067741 /nfs/dbraw/zinc/06/77/41/572067741.db2.gz XDLWWQKFYLSWHY-UHFFFAOYSA-N 2 2 193.294 1.251 10 0 ADAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CC1CC1 82646969 572068018 /nfs/dbraw/zinc/06/80/18/572068018.db2.gz SBBZKQARMAFAIU-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CC1CC1 82646969 572068023 /nfs/dbraw/zinc/06/80/23/572068023.db2.gz SBBZKQARMAFAIU-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648322 572068263 /nfs/dbraw/zinc/06/82/63/572068263.db2.gz LEPNZVTZPNJJAI-XWLWVQCSSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648322 572068265 /nfs/dbraw/zinc/06/82/65/572068265.db2.gz LEPNZVTZPNJJAI-XWLWVQCSSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)C[C@@H]1C[C@H]1C 82648461 572068269 /nfs/dbraw/zinc/06/82/69/572068269.db2.gz ODEXKWHUOMXLLR-MNOVXSKESA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)C[C@@H]1C[C@H]1C 82648461 572068271 /nfs/dbraw/zinc/06/82/71/572068271.db2.gz ODEXKWHUOMXLLR-MNOVXSKESA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648321 572068308 /nfs/dbraw/zinc/06/83/08/572068308.db2.gz LEPNZVTZPNJJAI-VPOLOUISSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648321 572068309 /nfs/dbraw/zinc/06/83/09/572068309.db2.gz LEPNZVTZPNJJAI-VPOLOUISSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648450 572068348 /nfs/dbraw/zinc/06/83/48/572068348.db2.gz KMIQJGWGOSDMJD-WHOHXGKFSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](C)Cc1ccncc1 36872091 572068349 /nfs/dbraw/zinc/06/83/49/572068349.db2.gz OXLGWNDNXQWGCC-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648450 572068350 /nfs/dbraw/zinc/06/83/50/572068350.db2.gz KMIQJGWGOSDMJD-WHOHXGKFSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccncc1 36872091 572068351 /nfs/dbraw/zinc/06/83/51/572068351.db2.gz OXLGWNDNXQWGCC-NSHDSACASA-N 2 2 193.294 1.251 10 0 ADAELP C[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CC1CC1 82646968 572068390 /nfs/dbraw/zinc/06/83/90/572068390.db2.gz SBBZKQARMAFAIU-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CC1CC1 82646968 572068392 /nfs/dbraw/zinc/06/83/92/572068392.db2.gz SBBZKQARMAFAIU-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1C 82647176 572068467 /nfs/dbraw/zinc/06/84/67/572068467.db2.gz SFAGAUZVFLNJLO-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1C 82647176 572068471 /nfs/dbraw/zinc/06/84/71/572068471.db2.gz SFAGAUZVFLNJLO-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CC1CC1 82646970 572068510 /nfs/dbraw/zinc/06/85/10/572068510.db2.gz SBBZKQARMAFAIU-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CC1CC1 82646970 572068513 /nfs/dbraw/zinc/06/85/13/572068513.db2.gz SBBZKQARMAFAIU-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CC1CC1 82646971 572068525 /nfs/dbraw/zinc/06/85/25/572068525.db2.gz SBBZKQARMAFAIU-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CC1CC1 82646971 572068530 /nfs/dbraw/zinc/06/85/30/572068530.db2.gz SBBZKQARMAFAIU-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 82648328 572068544 /nfs/dbraw/zinc/06/85/44/572068544.db2.gz SLPBTZKTAHVFCN-JXUBOQSCSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 82648328 572068545 /nfs/dbraw/zinc/06/85/45/572068545.db2.gz SLPBTZKTAHVFCN-JXUBOQSCSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648451 572068559 /nfs/dbraw/zinc/06/85/59/572068559.db2.gz KMIQJGWGOSDMJD-NOOOWODRSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648451 572068561 /nfs/dbraw/zinc/06/85/61/572068561.db2.gz KMIQJGWGOSDMJD-NOOOWODRSA-N 2 2 196.338 1.844 10 0 ADAELP CCC[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82648341 572068598 /nfs/dbraw/zinc/06/85/98/572068598.db2.gz LIRAHLPMWMOCMM-QWRGUYRKSA-N 2 2 184.327 1.574 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82648341 572068601 /nfs/dbraw/zinc/06/86/01/572068601.db2.gz LIRAHLPMWMOCMM-QWRGUYRKSA-N 2 2 184.327 1.574 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82648462 572068606 /nfs/dbraw/zinc/06/86/06/572068606.db2.gz ODEXKWHUOMXLLR-QWRGUYRKSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82648462 572068609 /nfs/dbraw/zinc/06/86/09/572068609.db2.gz ODEXKWHUOMXLLR-QWRGUYRKSA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+](C)CC[NH2+]C(C)(C)C 82648331 572068964 /nfs/dbraw/zinc/06/89/64/572068964.db2.gz QTMDYNICVKIPLS-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)[N@@H+](C)C[C@H]([NH3+])CC 36872099 572069120 /nfs/dbraw/zinc/06/91/20/572069120.db2.gz DYRDTHPILDBXNM-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+](C)CC[NH2+]C(C)(C)C 82648331 572068968 /nfs/dbraw/zinc/06/89/68/572068968.db2.gz QTMDYNICVKIPLS-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](CC)C1CCCC1 36872082 572068983 /nfs/dbraw/zinc/06/89/83/572068983.db2.gz ALOWKMNHEFPISZ-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](CC)C1CCCC1 36872082 572068987 /nfs/dbraw/zinc/06/89/87/572068987.db2.gz ALOWKMNHEFPISZ-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCC(CC)[N@H+](C)C[C@H]([NH3+])CC 36872099 572069124 /nfs/dbraw/zinc/06/91/24/572069124.db2.gz DYRDTHPILDBXNM-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36790479 572069613 /nfs/dbraw/zinc/06/96/13/572069613.db2.gz KZOIWHLBVQOUCY-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36790479 572069615 /nfs/dbraw/zinc/06/96/15/572069615.db2.gz KZOIWHLBVQOUCY-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1C 82651723 572069786 /nfs/dbraw/zinc/06/97/86/572069786.db2.gz SFAGAUZVFLNJLO-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1C 82651723 572069787 /nfs/dbraw/zinc/06/97/87/572069787.db2.gz SFAGAUZVFLNJLO-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)C[C@@H]1C[C@@H]1C 82650485 572069874 /nfs/dbraw/zinc/06/98/74/572069874.db2.gz KOVXJVITOHUUDR-SRVKXCTJSA-N 2 2 198.354 1.818 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650485 572069877 /nfs/dbraw/zinc/06/98/77/572069877.db2.gz KOVXJVITOHUUDR-SRVKXCTJSA-N 2 2 198.354 1.818 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)Cc1ccncc1 36872092 572069961 /nfs/dbraw/zinc/06/99/61/572069961.db2.gz OXLGWNDNXQWGCC-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)Cc1ccncc1 36872092 572069962 /nfs/dbraw/zinc/06/99/62/572069962.db2.gz OXLGWNDNXQWGCC-LLVKDONJSA-N 2 2 193.294 1.251 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)CC1([NH3+])CCCC1 82651182 572070050 /nfs/dbraw/zinc/07/00/50/572070050.db2.gz KRPDSUDEGWVZJG-GHMZBOCLSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)CC1([NH3+])CCCC1 82651182 572070052 /nfs/dbraw/zinc/07/00/52/572070052.db2.gz KRPDSUDEGWVZJG-GHMZBOCLSA-N 2 2 196.338 1.846 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)C(C)C 36872097 572070179 /nfs/dbraw/zinc/07/01/79/572070179.db2.gz HPYOJVFOLLLHFB-UWVGGRQHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)C(C)C 36872097 572070181 /nfs/dbraw/zinc/07/01/81/572070181.db2.gz HPYOJVFOLLLHFB-UWVGGRQHSA-N 2 2 172.316 1.700 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@](C)([NH3+])C1CC1 82651168 572070239 /nfs/dbraw/zinc/07/02/39/572070239.db2.gz XLRSPJLMLOYGRH-FOGDFJRCSA-N 2 2 196.338 1.702 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@](C)([NH3+])C1CC1 82651168 572070242 /nfs/dbraw/zinc/07/02/42/572070242.db2.gz XLRSPJLMLOYGRH-FOGDFJRCSA-N 2 2 196.338 1.702 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)CC[NH2+]CC1CC1 82650588 572070324 /nfs/dbraw/zinc/07/03/24/572070324.db2.gz QPMQDNFAOYABNK-ZYHUDNBSSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[NH2+]CC1CC1 82650588 572070328 /nfs/dbraw/zinc/07/03/28/572070328.db2.gz QPMQDNFAOYABNK-ZYHUDNBSSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+](C)CC1([NH3+])CCCC1 82651184 572070341 /nfs/dbraw/zinc/07/03/41/572070341.db2.gz KRPDSUDEGWVZJG-MNOVXSKESA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+](C)CC1([NH3+])CCCC1 82651184 572070345 /nfs/dbraw/zinc/07/03/45/572070345.db2.gz KRPDSUDEGWVZJG-MNOVXSKESA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+](C)CC[NH2+]CC1CC1 82650589 572070798 /nfs/dbraw/zinc/07/07/98/572070798.db2.gz QPMQDNFAOYABNK-CMPLNLGQSA-N 2 2 196.338 1.574 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CC)C1 36872105 572070897 /nfs/dbraw/zinc/07/08/97/572070897.db2.gz WMQVRVBOJNNETM-GHMZBOCLSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@H](C)[N@@H+](CC)C[C@H]([NH3+])CC 36872064 572070517 /nfs/dbraw/zinc/07/05/17/572070517.db2.gz XMUMALVRSRENSS-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@H](C)[N@H+](CC)C[C@H]([NH3+])CC 36872064 572070520 /nfs/dbraw/zinc/07/05/20/572070520.db2.gz XMUMALVRSRENSS-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](C)Cc1ccsc1 36872079 572070528 /nfs/dbraw/zinc/07/05/28/572070528.db2.gz LEZDCJMQNXRUNF-JTQLQIEISA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccsc1 36872079 572070531 /nfs/dbraw/zinc/07/05/31/572070531.db2.gz LEZDCJMQNXRUNF-JTQLQIEISA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](CC)C1CCCC1 36872081 572070584 /nfs/dbraw/zinc/07/05/84/572070584.db2.gz ALOWKMNHEFPISZ-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](CC)C1CCCC1 36872081 572070587 /nfs/dbraw/zinc/07/05/87/572070587.db2.gz ALOWKMNHEFPISZ-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82650570 572070614 /nfs/dbraw/zinc/07/06/14/572070614.db2.gz UWEJPQUPDBAXJD-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82650570 572070623 /nfs/dbraw/zinc/07/06/23/572070623.db2.gz UWEJPQUPDBAXJD-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82650455 572070700 /nfs/dbraw/zinc/07/07/00/572070700.db2.gz JUZSOMLQRZPCGC-RYUDHWBXSA-N 2 2 198.354 1.820 10 0 ADAELP CC(C)C[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82650455 572070704 /nfs/dbraw/zinc/07/07/04/572070704.db2.gz JUZSOMLQRZPCGC-RYUDHWBXSA-N 2 2 198.354 1.820 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+](C)CC[NH2+]CC1CC1 82650589 572070795 /nfs/dbraw/zinc/07/07/95/572070795.db2.gz QPMQDNFAOYABNK-CMPLNLGQSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)CC1([NH3+])CCCC1 82651185 572070843 /nfs/dbraw/zinc/07/08/43/572070843.db2.gz KRPDSUDEGWVZJG-QWRGUYRKSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)CC1([NH3+])CCCC1 82651185 572070844 /nfs/dbraw/zinc/07/08/44/572070844.db2.gz KRPDSUDEGWVZJG-QWRGUYRKSA-N 2 2 196.338 1.846 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82650571 572070848 /nfs/dbraw/zinc/07/08/48/572070848.db2.gz UWEJPQUPDBAXJD-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82650571 572070849 /nfs/dbraw/zinc/07/08/49/572070849.db2.gz UWEJPQUPDBAXJD-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](C)Cc1cccs1 36872077 572070865 /nfs/dbraw/zinc/07/08/65/572070865.db2.gz QGANHHKWYGPHKA-VIFPVBQESA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccs1 36872077 572070867 /nfs/dbraw/zinc/07/08/67/572070867.db2.gz QGANHHKWYGPHKA-VIFPVBQESA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CC)C1 36872105 572070900 /nfs/dbraw/zinc/07/09/00/572070900.db2.gz WMQVRVBOJNNETM-GHMZBOCLSA-N 2 2 184.327 1.846 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+](C)CC[NH2+]CC1CC1 82650590 572070945 /nfs/dbraw/zinc/07/09/45/572070945.db2.gz QPMQDNFAOYABNK-PWSUYJOCSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+](C)CC[NH2+]CC1CC1 82650590 572070946 /nfs/dbraw/zinc/07/09/46/572070946.db2.gz QPMQDNFAOYABNK-PWSUYJOCSA-N 2 2 196.338 1.574 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)Cc1cccs1 36872078 572070968 /nfs/dbraw/zinc/07/09/68/572070968.db2.gz QGANHHKWYGPHKA-SECBINFHSA-N 2 2 198.335 1.917 10 0 ADAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1C 82651724 572070971 /nfs/dbraw/zinc/07/09/71/572070971.db2.gz SFAGAUZVFLNJLO-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)Cc1cccs1 36872078 572070972 /nfs/dbraw/zinc/07/09/72/572070972.db2.gz QGANHHKWYGPHKA-SECBINFHSA-N 2 2 198.335 1.917 10 0 ADAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1C 82651724 572070973 /nfs/dbraw/zinc/07/09/73/572070973.db2.gz SFAGAUZVFLNJLO-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](CC)CC(C)C 36872062 572070983 /nfs/dbraw/zinc/07/09/83/572070983.db2.gz BZWSIWSKSADHFH-SNVBAGLBSA-N 2 2 172.316 1.702 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](CC)CC(C)C 36872062 572070985 /nfs/dbraw/zinc/07/09/85/572070985.db2.gz BZWSIWSKSADHFH-SNVBAGLBSA-N 2 2 172.316 1.702 10 0 ADAELP CC(C)C[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]1C 82650453 572071316 /nfs/dbraw/zinc/07/13/16/572071316.db2.gz JUZSOMLQRZPCGC-NWDGAFQWSA-N 2 2 198.354 1.820 10 0 ADAELP CCC[N@H+](C[C@H]([NH3+])CC)C(C)C 36872051 572071230 /nfs/dbraw/zinc/07/12/30/572071230.db2.gz LKEXNTOATVNNCF-SNVBAGLBSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@@H+](C[C@H]([NH3+])CC)C(C)C 36872051 572071238 /nfs/dbraw/zinc/07/12/38/572071238.db2.gz LKEXNTOATVNNCF-SNVBAGLBSA-N 2 2 172.316 1.844 10 0 ADAELP CC(C)C[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]1C 82650453 572071318 /nfs/dbraw/zinc/07/13/18/572071318.db2.gz JUZSOMLQRZPCGC-NWDGAFQWSA-N 2 2 198.354 1.820 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)Cc1ccsc1 36872080 572071436 /nfs/dbraw/zinc/07/14/36/572071436.db2.gz LEZDCJMQNXRUNF-SNVBAGLBSA-N 2 2 198.335 1.917 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)Cc1ccsc1 36872080 572071439 /nfs/dbraw/zinc/07/14/39/572071439.db2.gz LEZDCJMQNXRUNF-SNVBAGLBSA-N 2 2 198.335 1.917 10 0 ADAELP CCC[N@H+](C[C@@H]([NH3+])CC)C(C)C 36872052 572071561 /nfs/dbraw/zinc/07/15/61/572071561.db2.gz LKEXNTOATVNNCF-JTQLQIEISA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@@H+](C[C@@H]([NH3+])CC)C(C)C 36872052 572071565 /nfs/dbraw/zinc/07/15/65/572071565.db2.gz LKEXNTOATVNNCF-JTQLQIEISA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)[C@@H](C)C(C)C 36872098 572071986 /nfs/dbraw/zinc/07/19/86/572071986.db2.gz HPYOJVFOLLLHFB-VHSXEESVSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)C(C)C 36872098 572071990 /nfs/dbraw/zinc/07/19/90/572071990.db2.gz HPYOJVFOLLLHFB-VHSXEESVSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](CC)CC(C)C 36872061 572072016 /nfs/dbraw/zinc/07/20/16/572072016.db2.gz BZWSIWSKSADHFH-JTQLQIEISA-N 2 2 172.316 1.702 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](CC)CC(C)C 36872061 572072020 /nfs/dbraw/zinc/07/20/20/572072020.db2.gz BZWSIWSKSADHFH-JTQLQIEISA-N 2 2 172.316 1.702 10 0 ADAELP CC(C)C[NH2+]CC[N@H+](C)C[C@@H]1C[C@H]1C 82650454 572072206 /nfs/dbraw/zinc/07/22/06/572072206.db2.gz JUZSOMLQRZPCGC-NEPJUHHUSA-N 2 2 198.354 1.820 10 0 ADAELP CC(C)C[NH2+]CC[N@@H+](C)C[C@@H]1C[C@H]1C 82650454 572072211 /nfs/dbraw/zinc/07/22/11/572072211.db2.gz JUZSOMLQRZPCGC-NEPJUHHUSA-N 2 2 198.354 1.820 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](CC)[C@H](C)CC 36872063 572072213 /nfs/dbraw/zinc/07/22/13/572072213.db2.gz XMUMALVRSRENSS-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](CC)[C@H](C)CC 36872063 572072215 /nfs/dbraw/zinc/07/22/15/572072215.db2.gz XMUMALVRSRENSS-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CCCC[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]1C 82650569 572072269 /nfs/dbraw/zinc/07/22/69/572072269.db2.gz RTMFWNIXTUJOOM-NWDGAFQWSA-N 2 2 198.354 1.964 10 0 ADAELP CCCC[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]1C 82650569 572072272 /nfs/dbraw/zinc/07/22/72/572072272.db2.gz RTMFWNIXTUJOOM-NWDGAFQWSA-N 2 2 198.354 1.964 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+](C)C[C@](C)([NH3+])C1CC1 82651170 572072911 /nfs/dbraw/zinc/07/29/11/572072911.db2.gz XLRSPJLMLOYGRH-SCVCMEIPSA-N 2 2 196.338 1.702 10 0 ADAELP C[N@H+](Cc1ccco1)[C@H](C[NH3+])C1CC1 36884019 572072590 /nfs/dbraw/zinc/07/25/90/572072590.db2.gz JBASGCPSOZCYHA-LLVKDONJSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@](C)([NH3+])C1CC1 82651170 572072914 /nfs/dbraw/zinc/07/29/14/572072914.db2.gz XLRSPJLMLOYGRH-SCVCMEIPSA-N 2 2 196.338 1.702 10 0 ADAELP C[N@@H+](Cc1ccco1)[C@H](C[NH3+])C1CC1 36884019 572072597 /nfs/dbraw/zinc/07/25/97/572072597.db2.gz JBASGCPSOZCYHA-LLVKDONJSA-N 2 2 194.278 1.449 10 0 ADAELP CCCC[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82650568 572072613 /nfs/dbraw/zinc/07/26/13/572072613.db2.gz RTMFWNIXTUJOOM-RYUDHWBXSA-N 2 2 198.354 1.964 10 0 ADAELP CCCC[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82650568 572072615 /nfs/dbraw/zinc/07/26/15/572072615.db2.gz RTMFWNIXTUJOOM-RYUDHWBXSA-N 2 2 198.354 1.964 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)CC[NH2+]CC1CC1 82650591 572072761 /nfs/dbraw/zinc/07/27/61/572072761.db2.gz QPMQDNFAOYABNK-JQWIXIFHSA-N 2 2 196.338 1.574 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)CC[NH2+]CC1CC1 82650591 572072763 /nfs/dbraw/zinc/07/27/63/572072763.db2.gz QPMQDNFAOYABNK-JQWIXIFHSA-N 2 2 196.338 1.574 10 0 ADAELP CC(C)C[NH2+]CC[N@H+](C)C[C@H]1C[C@H]1C 82650452 572072819 /nfs/dbraw/zinc/07/28/19/572072819.db2.gz JUZSOMLQRZPCGC-VXGBXAGGSA-N 2 2 198.354 1.820 10 0 ADAELP CC(C)C[NH2+]CC[N@@H+](C)C[C@H]1C[C@H]1C 82650452 572072822 /nfs/dbraw/zinc/07/28/22/572072822.db2.gz JUZSOMLQRZPCGC-VXGBXAGGSA-N 2 2 198.354 1.820 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CC1(C)C 235108256 572073084 /nfs/dbraw/zinc/07/30/84/572073084.db2.gz WJPAGGGIOMALFG-UWVGGRQHSA-N 2 2 184.327 1.572 10 0 ADAELP CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC)C1 36872106 572073224 /nfs/dbraw/zinc/07/32/24/572073224.db2.gz WMQVRVBOJNNETM-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC)C1 36872106 572073227 /nfs/dbraw/zinc/07/32/27/572073227.db2.gz WMQVRVBOJNNETM-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP CC(C)=CC[NH2+][C@@H](C)C[NH+](C)C 235106705 572073526 /nfs/dbraw/zinc/07/35/26/572073526.db2.gz IKQOSZYMPYWYSX-JTQLQIEISA-N 2 2 170.300 1.492 10 0 ADAELP CC[NH2+]CCC[NH2+]Cc1cscn1 82626964 572074012 /nfs/dbraw/zinc/07/40/12/572074012.db2.gz GILMYTDTLDFOTK-UHFFFAOYSA-N 2 2 199.323 1.232 10 0 ADAELP CC(C)N(CCC[NH3+])c1cccc[nH+]1 36883437 572074320 /nfs/dbraw/zinc/07/43/20/572074320.db2.gz FTAMRBHUYKRWIB-UHFFFAOYSA-N 2 2 193.294 1.645 10 0 ADAELP [NH3+]CCCN(c1cccc[nH+]1)C1CC1 36883438 572075717 /nfs/dbraw/zinc/07/57/17/572075717.db2.gz FVNJOGVUWPHKOV-UHFFFAOYSA-N 2 2 191.278 1.399 10 0 ADAELP CCCN(CCC[NH3+])c1cccc[nH+]1 36883436 572075032 /nfs/dbraw/zinc/07/50/32/572075032.db2.gz JHNDAQPKGDFQIQ-UHFFFAOYSA-N 2 2 193.294 1.647 10 0 ADAELP CC(C)([NH3+])Cc1c[nH+]c2ccccn12 34328830 572075053 /nfs/dbraw/zinc/07/50/53/572075053.db2.gz ZWHJSUNRSTVFFG-UHFFFAOYSA-N 2 2 189.262 1.614 10 0 ADAELP C[NH+](C)CC[NH2+]CC1(C)CCCC1 82625439 572075090 /nfs/dbraw/zinc/07/50/90/572075090.db2.gz MEGLPMSHJSTUTB-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CCN(CCC[NH3+])c1cccc[nH+]1 36883435 572075679 /nfs/dbraw/zinc/07/56/79/572075679.db2.gz ZQVQEEHXAPPYRB-UHFFFAOYSA-N 2 2 179.267 1.257 10 0 ADAELP CC(C)c1c[nH+]c(CCC[NH3+])[nH]1 36876249 572075949 /nfs/dbraw/zinc/07/59/49/572075949.db2.gz OSDGAZSOJMJDLE-UHFFFAOYSA-N 2 2 167.256 1.424 10 0 ADAELP C[N@H+](Cc1ccco1)[C@@H](C[NH3+])C1CC1 36884018 572075974 /nfs/dbraw/zinc/07/59/74/572075974.db2.gz JBASGCPSOZCYHA-NSHDSACASA-N 2 2 194.278 1.449 10 0 ADAELP C[N@@H+](Cc1ccco1)[C@@H](C[NH3+])C1CC1 36884018 572075975 /nfs/dbraw/zinc/07/59/75/572075975.db2.gz JBASGCPSOZCYHA-NSHDSACASA-N 2 2 194.278 1.449 10 0 ADAELP Cc1c[nH]c(NCc2[nH+]ccn2C)[nH+]1 235853390 572076119 /nfs/dbraw/zinc/07/61/19/572076119.db2.gz MRGIGTRYSXECNN-UHFFFAOYSA-N 2 2 191.238 1.064 10 0 ADAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[NH+](C)C)cc1 42908048 572076479 /nfs/dbraw/zinc/07/64/79/572076479.db2.gz QUTHTLAZWHWGDF-CMPLNLGQSA-N 2 2 192.306 1.945 10 0 ADAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 42908045 572076490 /nfs/dbraw/zinc/07/64/90/572076490.db2.gz QUTHTLAZWHWGDF-PWSUYJOCSA-N 2 2 192.306 1.945 10 0 ADAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 42908043 572076641 /nfs/dbraw/zinc/07/66/41/572076641.db2.gz QUTHTLAZWHWGDF-ZYHUDNBSSA-N 2 2 192.306 1.945 10 0 ADAELP CCC(CC)[C@@H](C)[NH2+]CC[NH+](C)C 82632377 572076996 /nfs/dbraw/zinc/07/69/96/572076996.db2.gz DTUKKHDUGVSCDO-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP CCC(CC)[C@H](C)[NH2+]CC[NH+](C)C 82632379 572077677 /nfs/dbraw/zinc/07/76/77/572077677.db2.gz DTUKKHDUGVSCDO-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP Cc1ccc([C@H]([C@H](C)[NH3+])[NH+](C)C)cc1 42908051 572077847 /nfs/dbraw/zinc/07/78/47/572077847.db2.gz QUTHTLAZWHWGDF-JQWIXIFHSA-N 2 2 192.306 1.945 10 0 ADAELP [NH3+]C/C=C\c1ccc(-n2cc[nH+]c2)cc1 214890294 572081312 /nfs/dbraw/zinc/08/13/12/572081312.db2.gz BJMBMTJKOQVQFZ-UPHRSURJSA-N 2 2 199.257 1.844 10 0 ADAELP C[C@@H](C[NH2+][C@@H]1C=CCCC1)[NH+](C)C 235121600 572081467 /nfs/dbraw/zinc/08/14/67/572081467.db2.gz LTLMHVCAFZMABH-WDEREUQCSA-N 2 2 182.311 1.635 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C=CCCC1 235116807 572082024 /nfs/dbraw/zinc/08/20/24/572082024.db2.gz NATCOYBIBVPCJK-QWRGUYRKSA-N 2 2 182.311 1.635 10 0 ADAELP CC[N@H+](C)C[C@@H]([NH3+])Cc1ccccc1 37079007 572082043 /nfs/dbraw/zinc/08/20/43/572082043.db2.gz CNOAWDHCIFTVFE-LBPRGKRZSA-N 2 2 192.306 1.508 10 0 ADAELP CC[N@@H+](C)C[C@@H]([NH3+])Cc1ccccc1 37079007 572082045 /nfs/dbraw/zinc/08/20/45/572082045.db2.gz CNOAWDHCIFTVFE-LBPRGKRZSA-N 2 2 192.306 1.508 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C=CCCC1 235118239 572082756 /nfs/dbraw/zinc/08/27/56/572082756.db2.gz NATCOYBIBVPCJK-WDEREUQCSA-N 2 2 182.311 1.635 10 0 ADAELP CC[N@H+](C)C[C@H]([NH3+])Cc1ccccc1 37079006 572082917 /nfs/dbraw/zinc/08/29/17/572082917.db2.gz CNOAWDHCIFTVFE-GFCCVEGCSA-N 2 2 192.306 1.508 10 0 ADAELP CC[N@@H+](C)C[C@H]([NH3+])Cc1ccccc1 37079006 572082918 /nfs/dbraw/zinc/08/29/18/572082918.db2.gz CNOAWDHCIFTVFE-GFCCVEGCSA-N 2 2 192.306 1.508 10 0 ADAELP C[NH2+]Cc1c[nH+]c(CC(C)(C)C)[nH]1 82675143 572083512 /nfs/dbraw/zinc/08/35/12/572083512.db2.gz LJZYFTCSKVCGJG-UHFFFAOYSA-N 2 2 181.283 1.718 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+](C)C1CCCC1 37092897 572084648 /nfs/dbraw/zinc/08/46/48/572084648.db2.gz IVRCLMOIQBMBQY-LLVKDONJSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+](C)C1CCCC1 37092897 572084647 /nfs/dbraw/zinc/08/46/47/572084647.db2.gz IVRCLMOIQBMBQY-LLVKDONJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](CC)C(C)C 37082205 572084700 /nfs/dbraw/zinc/08/47/00/572084700.db2.gz CLSYBCHTKSYFNB-NXEZZACHSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](CC)C(C)C 37082205 572084703 /nfs/dbraw/zinc/08/47/03/572084703.db2.gz CLSYBCHTKSYFNB-NXEZZACHSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC)C(C)C 37082204 572085059 /nfs/dbraw/zinc/08/50/59/572085059.db2.gz CLSYBCHTKSYFNB-ZJUUUORDSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC)C(C)C 37082204 572085062 /nfs/dbraw/zinc/08/50/62/572085062.db2.gz CLSYBCHTKSYFNB-ZJUUUORDSA-N 2 2 172.316 1.843 10 0 ADAELP C[N@@H+](C1CC1)[C@H](C[NH3+])c1cccs1 37080872 572085112 /nfs/dbraw/zinc/08/51/12/572085112.db2.gz HJJPRCFOEYYQKZ-SECBINFHSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+](C1CC1)[C@H](C[NH3+])c1cccs1 37080872 572085114 /nfs/dbraw/zinc/08/51/14/572085114.db2.gz HJJPRCFOEYYQKZ-SECBINFHSA-N 2 2 196.319 1.842 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)C1CCCC1 37092723 572085373 /nfs/dbraw/zinc/08/53/73/572085373.db2.gz OVLWXUYENNPIIR-ONGXEEELSA-N 2 2 184.327 1.987 10 0 ADAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)c1 42965711 572085360 /nfs/dbraw/zinc/08/53/60/572085360.db2.gz HEWYHYDEUIJZOF-PWSUYJOCSA-N 2 2 192.306 1.945 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)C1CCCC1 37092723 572085380 /nfs/dbraw/zinc/08/53/80/572085380.db2.gz OVLWXUYENNPIIR-ONGXEEELSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H]2C=CCC2)CCC[NH2+]1 711701005 572085557 /nfs/dbraw/zinc/08/55/57/572085557.db2.gz HMCVPIIBARLIPJ-NWDGAFQWSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H]2C=CCC2)CCC[NH2+]1 711701005 572085562 /nfs/dbraw/zinc/08/55/62/572085562.db2.gz HMCVPIIBARLIPJ-NWDGAFQWSA-N 2 2 194.322 1.636 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCC1 37092722 572085808 /nfs/dbraw/zinc/08/58/08/572085808.db2.gz OVLWXUYENNPIIR-MWLCHTKSSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCC1 37092722 572085810 /nfs/dbraw/zinc/08/58/10/572085810.db2.gz OVLWXUYENNPIIR-MWLCHTKSSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](CC)C(C)C 37082207 572085827 /nfs/dbraw/zinc/08/58/27/572085827.db2.gz CLSYBCHTKSYFNB-VHSXEESVSA-N 2 2 172.316 1.843 10 0 ADAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[NH+](C)C)c1 42965713 572085828 /nfs/dbraw/zinc/08/58/28/572085828.db2.gz HEWYHYDEUIJZOF-CMPLNLGQSA-N 2 2 192.306 1.945 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](CC)C(C)C 37082207 572085830 /nfs/dbraw/zinc/08/58/30/572085830.db2.gz CLSYBCHTKSYFNB-VHSXEESVSA-N 2 2 172.316 1.843 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+](C)C1CCCC1 37092898 572086339 /nfs/dbraw/zinc/08/63/39/572086339.db2.gz IVRCLMOIQBMBQY-NSHDSACASA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+](C)C1CCCC1 37092898 572086342 /nfs/dbraw/zinc/08/63/42/572086342.db2.gz IVRCLMOIQBMBQY-NSHDSACASA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cccc([C@H]([C@H](C)[NH3+])[NH+](C)C)c1 42965715 572086382 /nfs/dbraw/zinc/08/63/82/572086382.db2.gz HEWYHYDEUIJZOF-JQWIXIFHSA-N 2 2 192.306 1.945 10 0 ADAELP C[C@@H]1C[N@H+](C[C@H]2C=CCC2)CCC[NH2+]1 711700997 572086396 /nfs/dbraw/zinc/08/63/96/572086396.db2.gz HMCVPIIBARLIPJ-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@H]2C=CCC2)CCC[NH2+]1 711700997 572086400 /nfs/dbraw/zinc/08/64/00/572086400.db2.gz HMCVPIIBARLIPJ-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP CC1(C)CC[C@@H](C[NH+]2CCCC2)[NH2+]C1 34491491 572086412 /nfs/dbraw/zinc/08/64/12/572086412.db2.gz GRHXCKLKUOCDLT-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[C@H](C[NH+]2CCCC2)[NH2+]C1 34491490 572086570 /nfs/dbraw/zinc/08/65/70/572086570.db2.gz GRHXCKLKUOCDLT-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](CC)C(C)C 37082206 572086832 /nfs/dbraw/zinc/08/68/32/572086832.db2.gz CLSYBCHTKSYFNB-UWVGGRQHSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](CC)C(C)C 37082206 572086834 /nfs/dbraw/zinc/08/68/34/572086834.db2.gz CLSYBCHTKSYFNB-UWVGGRQHSA-N 2 2 172.316 1.843 10 0 ADAELP C[C@H]1C[C@@H]1[NH2+]CC[NH+]1CCCC1 235621033 572087036 /nfs/dbraw/zinc/08/70/36/572087036.db2.gz ZFBRJGBYDNSHDL-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2C=CCC2)CCC[NH2+]1 711701018 572087715 /nfs/dbraw/zinc/08/77/15/572087715.db2.gz HMCVPIIBARLIPJ-RYUDHWBXSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H]2C=CCC2)CCC[NH2+]1 711701018 572087716 /nfs/dbraw/zinc/08/77/16/572087716.db2.gz HMCVPIIBARLIPJ-RYUDHWBXSA-N 2 2 194.322 1.636 10 0 ADAELP C[NH2+]CC1CC(Oc2cc[nH+]cc2)C1 84985446 572087316 /nfs/dbraw/zinc/08/73/16/572087316.db2.gz VCLRLTPZPPANDD-UHFFFAOYSA-N 2 2 192.262 1.458 10 0 ADAELP C[N@@H+](C1CC1)[C@H](C[NH3+])c1ccccc1 37080862 572087322 /nfs/dbraw/zinc/08/73/22/572087322.db2.gz IBFLTDRDJDLRCF-GFCCVEGCSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+](C1CC1)[C@H](C[NH3+])c1ccccc1 37080862 572087323 /nfs/dbraw/zinc/08/73/23/572087323.db2.gz IBFLTDRDJDLRCF-GFCCVEGCSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2C=CCC2)CCC[NH2+]1 711701027 572087413 /nfs/dbraw/zinc/08/74/13/572087413.db2.gz HMCVPIIBARLIPJ-VXGBXAGGSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2C=CCC2)CCC[NH2+]1 711701027 572087414 /nfs/dbraw/zinc/08/74/14/572087414.db2.gz HMCVPIIBARLIPJ-VXGBXAGGSA-N 2 2 194.322 1.636 10 0 ADAELP CCC(C)(C)Cn1cc[nH+]c1CC[NH3+] 713211825 572087727 /nfs/dbraw/zinc/08/77/27/572087727.db2.gz ONKYDVCOWHUUTA-UHFFFAOYSA-N 2 2 195.310 1.821 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)C1CCCC1 37092724 572087663 /nfs/dbraw/zinc/08/76/63/572087663.db2.gz OVLWXUYENNPIIR-GXSJLCMTSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)C1CCCC1 37092724 572087666 /nfs/dbraw/zinc/08/76/66/572087666.db2.gz OVLWXUYENNPIIR-GXSJLCMTSA-N 2 2 184.327 1.987 10 0 ADAELP C1CC[NH+]([C@@]23CCC[C@H]2[NH2+]CC3)CC1 711711006 572088341 /nfs/dbraw/zinc/08/83/41/572088341.db2.gz BIGNXLQSXZRTCC-VXGBXAGGSA-N 2 2 194.322 1.757 10 0 ADAELP C1CC[NH+]([C@]23CCC[C@H]2[NH2+]CC3)CC1 711710988 572088367 /nfs/dbraw/zinc/08/83/67/572088367.db2.gz BIGNXLQSXZRTCC-NEPJUHHUSA-N 2 2 194.322 1.757 10 0 ADAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccno1 687709338 572089018 /nfs/dbraw/zinc/08/90/18/572089018.db2.gz DPIZOZVELWPMBI-SECBINFHSA-N 2 2 197.282 1.104 10 0 ADAELP CCC[N@H+](CC)[C@@H](C)[C@H]([NH3+])CC 37095000 572089060 /nfs/dbraw/zinc/08/90/60/572089060.db2.gz BRZCKFYUZRLNKF-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@@H+](CC)[C@@H](C)[C@H]([NH3+])CC 37095000 572089063 /nfs/dbraw/zinc/08/90/63/572089063.db2.gz BRZCKFYUZRLNKF-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@H+](C[C@H]1CCC[NH2+]1)C(C)C 37096361 572089430 /nfs/dbraw/zinc/08/94/30/572089430.db2.gz PUVNDTSCBMDMIC-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](C[C@H]1CCC[NH2+]1)C(C)C 37096361 572089431 /nfs/dbraw/zinc/08/94/31/572089431.db2.gz PUVNDTSCBMDMIC-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](C(C)C)[C@H]1CCC[C@@H]1[NH3+] 37095984 572089283 /nfs/dbraw/zinc/08/92/83/572089283.db2.gz MBPKYSDERLSALU-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1[NH3+] 37095984 572089286 /nfs/dbraw/zinc/08/92/86/572089286.db2.gz MBPKYSDERLSALU-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[N@H+](C[C@@H]1CCC[NH2+]1)C(C)C 37096360 572089350 /nfs/dbraw/zinc/08/93/50/572089350.db2.gz PUVNDTSCBMDMIC-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](C[C@@H]1CCC[NH2+]1)C(C)C 37096360 572089353 /nfs/dbraw/zinc/08/93/53/572089353.db2.gz PUVNDTSCBMDMIC-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](C1CC1)[C@H]1CCC[C@@H]1[NH3+] 37097130 572089410 /nfs/dbraw/zinc/08/94/10/572089410.db2.gz LNZUVKCEXPITIG-QWRGUYRKSA-N 2 2 182.311 1.741 10 0 ADAELP CCC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1[NH3+] 37097130 572089412 /nfs/dbraw/zinc/08/94/12/572089412.db2.gz LNZUVKCEXPITIG-QWRGUYRKSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]([NH3+])[C@@](C)([NH3+])c1ccccc1 34540280 572089893 /nfs/dbraw/zinc/08/98/93/572089893.db2.gz KQQQSVCIYVATTK-PSASIEDQSA-N 2 2 164.252 1.208 10 0 ADAELP C1CC[NH+]([C@]23CCC[C@@H]2[NH2+]CC3)CC1 711711004 572089966 /nfs/dbraw/zinc/08/99/66/572089966.db2.gz BIGNXLQSXZRTCC-RYUDHWBXSA-N 2 2 194.322 1.757 10 0 ADAELP CCC[N@H+](CC)[C@H]1CCC[C@@H]1[NH3+] 37094869 572089984 /nfs/dbraw/zinc/08/99/84/572089984.db2.gz JDHBYIMULQXGHL-UWVGGRQHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CCC[C@@H]1[NH3+] 37094869 572089985 /nfs/dbraw/zinc/08/99/85/572089985.db2.gz JDHBYIMULQXGHL-UWVGGRQHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccccn1 37098146 572090151 /nfs/dbraw/zinc/09/01/51/572090151.db2.gz CDCJCMNPAZIRHB-NSHDSACASA-N 2 2 193.294 1.423 10 0 ADAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccccn1 37098146 572090153 /nfs/dbraw/zinc/09/01/53/572090153.db2.gz CDCJCMNPAZIRHB-NSHDSACASA-N 2 2 193.294 1.423 10 0 ADAELP CCC[N@H+](C1CC1)[C@@H]1CCC[C@@H]1[NH3+] 37097129 572090176 /nfs/dbraw/zinc/09/01/76/572090176.db2.gz LNZUVKCEXPITIG-WDEREUQCSA-N 2 2 182.311 1.741 10 0 ADAELP CCC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1[NH3+] 37097129 572090178 /nfs/dbraw/zinc/09/01/78/572090178.db2.gz LNZUVKCEXPITIG-WDEREUQCSA-N 2 2 182.311 1.741 10 0 ADAELP [NH3+][C@H]1CC[C@@H](C[NH2+]CC(F)(F)F)C1 85014988 572090406 /nfs/dbraw/zinc/09/04/06/572090406.db2.gz ZDSSSCVPVFFKEH-RQJHMYQMSA-N 2 2 196.216 1.266 10 0 ADAELP CCC[N@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH3+] 37095983 572090574 /nfs/dbraw/zinc/09/05/74/572090574.db2.gz MBPKYSDERLSALU-WDEREUQCSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH3+] 37095983 572090579 /nfs/dbraw/zinc/09/05/79/572090579.db2.gz MBPKYSDERLSALU-WDEREUQCSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[N@H+](CC)[C@H](C)[C@H]([NH3+])CC 37095001 572090688 /nfs/dbraw/zinc/09/06/88/572090688.db2.gz BRZCKFYUZRLNKF-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@@H+](CC)[C@H](C)[C@H]([NH3+])CC 37095001 572090694 /nfs/dbraw/zinc/09/06/94/572090694.db2.gz BRZCKFYUZRLNKF-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccccn1 37098147 572090805 /nfs/dbraw/zinc/09/08/05/572090805.db2.gz CDCJCMNPAZIRHB-LLVKDONJSA-N 2 2 193.294 1.423 10 0 ADAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccccn1 37098147 572090807 /nfs/dbraw/zinc/09/08/07/572090807.db2.gz CDCJCMNPAZIRHB-LLVKDONJSA-N 2 2 193.294 1.423 10 0 ADAELP [NH3+][C@@H]1CC[C@H](C[NH2+]CC(F)(F)F)C1 85014997 572090836 /nfs/dbraw/zinc/09/08/36/572090836.db2.gz ZDSSSCVPVFFKEH-NKWVEPMBSA-N 2 2 196.216 1.266 10 0 ADAELP [NH3+][C@@H]1CC[C@@H](C[NH2+]CC(F)(F)F)C1 85014991 572090862 /nfs/dbraw/zinc/09/08/62/572090862.db2.gz ZDSSSCVPVFFKEH-RNFRBKRXSA-N 2 2 196.216 1.266 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CCCC[C@@H]1[NH3+] 37094924 572091036 /nfs/dbraw/zinc/09/10/36/572091036.db2.gz RLKMUMSOVJJYDX-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CCCC[C@@H]1[NH3+] 37094924 572091039 /nfs/dbraw/zinc/09/10/39/572091039.db2.gz RLKMUMSOVJJYDX-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP [NH3+][C@H]1CC[C@H](C[NH2+]CC(F)(F)F)C1 85014994 572091422 /nfs/dbraw/zinc/09/14/22/572091422.db2.gz ZDSSSCVPVFFKEH-BQBZGAKWSA-N 2 2 196.216 1.266 10 0 ADAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccno1 687709339 572091465 /nfs/dbraw/zinc/09/14/65/572091465.db2.gz DPIZOZVELWPMBI-VIFPVBQESA-N 2 2 197.282 1.104 10 0 ADAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(C)o1 37098044 572092864 /nfs/dbraw/zinc/09/28/64/572092864.db2.gz BTYIEIYLILDZFZ-SNVBAGLBSA-N 2 2 196.294 1.930 10 0 ADAELP C[C@H]([NH3+])[C@H]([NH3+])c1ccccc1 34545637 572092920 /nfs/dbraw/zinc/09/29/20/572092920.db2.gz PRCXGQJVEKZKQR-CBAPKCEASA-N 2 2 150.225 1.034 10 0 ADAELP [NH3+][C@@H]1CCCC[N@H+](CC2CC2)C1 34556809 572093604 /nfs/dbraw/zinc/09/36/04/572093604.db2.gz ACVDXUPJUQMVTQ-SNVBAGLBSA-N 2 2 168.284 1.210 10 0 ADAELP [NH3+][C@@H]1CCCC[N@@H+](CC2CC2)C1 34556809 572093607 /nfs/dbraw/zinc/09/36/07/572093607.db2.gz ACVDXUPJUQMVTQ-SNVBAGLBSA-N 2 2 168.284 1.210 10 0 ADAELP CCC[N@H+](CC[NH2+]C)C1CC1 37097471 572094152 /nfs/dbraw/zinc/09/41/52/572094152.db2.gz OYHPLWPPIOMJEN-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@@H+](CC[NH2+]C)C1CC1 37097471 572094155 /nfs/dbraw/zinc/09/41/55/572094155.db2.gz OYHPLWPPIOMJEN-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(C)o1 37098043 572094563 /nfs/dbraw/zinc/09/45/63/572094563.db2.gz BTYIEIYLILDZFZ-JTQLQIEISA-N 2 2 196.294 1.930 10 0 ADAELP CCC[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1 37107325 572095174 /nfs/dbraw/zinc/09/51/74/572095174.db2.gz YJIFJODLAVXWHU-GHMZBOCLSA-N 2 2 193.294 1.976 10 0 ADAELP CC[C@H](C)[N@H+](CC)C[C@@H]1CCC[NH2+]1 37113422 572096161 /nfs/dbraw/zinc/09/61/61/572096161.db2.gz PNQCRWXEOVXQSG-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@@H+](CC)C[C@@H]1CCC[NH2+]1 37113422 572096163 /nfs/dbraw/zinc/09/61/63/572096163.db2.gz PNQCRWXEOVXQSG-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+](CC)[C@@H]1CCC[C@@H]1[NH3+] 37112898 572096621 /nfs/dbraw/zinc/09/66/21/572096621.db2.gz XARPUIBPUUFRKK-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@@H]1[NH3+] 37112898 572096622 /nfs/dbraw/zinc/09/66/22/572096622.db2.gz XARPUIBPUUFRKK-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](CC(C)C)C[C@@H]([NH3+])C(C)C 37111778 572097133 /nfs/dbraw/zinc/09/71/33/572097133.db2.gz YVSLGVZPCUCDKK-LLVKDONJSA-N 2 2 186.343 1.948 10 0 ADAELP CC[N@@H+](CC(C)C)C[C@@H]([NH3+])C(C)C 37111778 572097136 /nfs/dbraw/zinc/09/71/36/572097136.db2.gz YVSLGVZPCUCDKK-LLVKDONJSA-N 2 2 186.343 1.948 10 0 ADAELP CC[N@H+](CC(C)C)C[C@H]([NH3+])C(C)C 37111777 572097506 /nfs/dbraw/zinc/09/75/06/572097506.db2.gz YVSLGVZPCUCDKK-NSHDSACASA-N 2 2 186.343 1.948 10 0 ADAELP CC[N@@H+](CC(C)C)C[C@H]([NH3+])C(C)C 37111777 572097509 /nfs/dbraw/zinc/09/75/09/572097509.db2.gz YVSLGVZPCUCDKK-NSHDSACASA-N 2 2 186.343 1.948 10 0 ADAELP CC[C@@H](C)C[N@H+](CC)C[C@H](C)[NH2+]C 251934981 572097641 /nfs/dbraw/zinc/09/76/41/572097641.db2.gz RTTBETGANUVKAG-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C)C[N@@H+](CC)C[C@H](C)[NH2+]C 251934981 572097646 /nfs/dbraw/zinc/09/76/46/572097646.db2.gz RTTBETGANUVKAG-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C)[N@H+](CC)CC(N)=[NH2+] 37115203 572098484 /nfs/dbraw/zinc/09/84/84/572098484.db2.gz CMNTXSMLAAEWLS-SSDOTTSWSA-N 2 2 157.261 1.043 10 0 ADAELP CC[C@@H](C)[N@@H+](CC)CC(N)=[NH2+] 37115203 572098487 /nfs/dbraw/zinc/09/84/87/572098487.db2.gz CMNTXSMLAAEWLS-SSDOTTSWSA-N 2 2 157.261 1.043 10 0 ADAELP CC[C@@H](C)[N@H+](CC)C[C@@H]1CCC[NH2+]1 37113421 572098690 /nfs/dbraw/zinc/09/86/90/572098690.db2.gz PNQCRWXEOVXQSG-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@@H+](CC)C[C@@H]1CCC[NH2+]1 37113421 572098693 /nfs/dbraw/zinc/09/86/93/572098693.db2.gz PNQCRWXEOVXQSG-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)C[N@H+](CC)C[C@H](C)[NH2+]C 251934982 572099104 /nfs/dbraw/zinc/09/91/04/572099104.db2.gz RTTBETGANUVKAG-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)C[N@@H+](CC)C[C@H](C)[NH2+]C 251934982 572099107 /nfs/dbraw/zinc/09/91/07/572099107.db2.gz RTTBETGANUVKAG-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)[N@H+](CC)CC(N)=[NH2+] 37115204 572099216 /nfs/dbraw/zinc/09/92/16/572099216.db2.gz CMNTXSMLAAEWLS-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CC[C@H](C)[N@@H+](CC)CC(N)=[NH2+] 37115204 572099222 /nfs/dbraw/zinc/09/92/22/572099222.db2.gz CMNTXSMLAAEWLS-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)CC(C)C 37108489 572100255 /nfs/dbraw/zinc/10/02/55/572100255.db2.gz YHSUQCLOXLEDMB-ZJUUUORDSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)CC(C)C 37108489 572100261 /nfs/dbraw/zinc/10/02/61/572100261.db2.gz YHSUQCLOXLEDMB-ZJUUUORDSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)CC(C)C 37108490 572100778 /nfs/dbraw/zinc/10/07/78/572100778.db2.gz YHSUQCLOXLEDMB-NXEZZACHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)CC(C)C 37108490 572100780 /nfs/dbraw/zinc/10/07/80/572100780.db2.gz YHSUQCLOXLEDMB-NXEZZACHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)CC(C)C 37108491 572100832 /nfs/dbraw/zinc/10/08/32/572100832.db2.gz YHSUQCLOXLEDMB-UWVGGRQHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)CC(C)C 37108491 572100836 /nfs/dbraw/zinc/10/08/36/572100836.db2.gz YHSUQCLOXLEDMB-UWVGGRQHSA-N 2 2 172.316 1.700 10 0 ADAELP C[NH2+]C[C@@H](C)Cc1ccc(C)[nH+]c1 82763319 572100843 /nfs/dbraw/zinc/10/08/43/572100843.db2.gz UGQUJDCEDUUQRN-VIFPVBQESA-N 2 2 178.279 1.788 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)CC(C)C 37108492 572100894 /nfs/dbraw/zinc/10/08/94/572100894.db2.gz YHSUQCLOXLEDMB-VHSXEESVSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)CC(C)C 37108492 572100895 /nfs/dbraw/zinc/10/08/95/572100895.db2.gz YHSUQCLOXLEDMB-VHSXEESVSA-N 2 2 172.316 1.700 10 0 ADAELP C[NH2+]C[C@H](C)Cc1ccc(C)[nH+]c1 82763318 572101498 /nfs/dbraw/zinc/10/14/98/572101498.db2.gz UGQUJDCEDUUQRN-SECBINFHSA-N 2 2 178.279 1.788 10 0 ADAELP CCC[NH2+][C@@H](C)Cn1cc[nH+]c1 37158324 572101821 /nfs/dbraw/zinc/10/18/21/572101821.db2.gz CQBZNDLRRHCVRX-VIFPVBQESA-N 2 2 167.256 1.271 10 0 ADAELP CCC[NH2+][C@H](C)C[NH+]1CCCCC1 37154375 572101864 /nfs/dbraw/zinc/10/18/64/572101864.db2.gz VZIUYZYCHTVFOA-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[NH2+][C@H](C)Cn1cc[nH+]c1 37158326 572102684 /nfs/dbraw/zinc/10/26/84/572102684.db2.gz CQBZNDLRRHCVRX-SECBINFHSA-N 2 2 167.256 1.271 10 0 ADAELP CCC[NH2+][C@@H](C)C[NH+]1CCCCC1 37154373 572102718 /nfs/dbraw/zinc/10/27/18/572102718.db2.gz VZIUYZYCHTVFOA-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP C[NH+](C)CCSc1ccc(N)[nH+]c1 37192627 572105516 /nfs/dbraw/zinc/10/55/16/572105516.db2.gz SYKACNANCHZCAM-UHFFFAOYSA-N 2 2 197.307 1.318 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 37240208 572105892 /nfs/dbraw/zinc/10/58/92/572105892.db2.gz HXXLLIHOEWLYJY-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 37240208 572105896 /nfs/dbraw/zinc/10/58/96/572105896.db2.gz HXXLLIHOEWLYJY-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](C(C)C)C1 37240274 572106167 /nfs/dbraw/zinc/10/61/67/572106167.db2.gz LKOSYOQRGSDODQ-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](C(C)C)C1 37240274 572106171 /nfs/dbraw/zinc/10/61/71/572106171.db2.gz LKOSYOQRGSDODQ-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 37240272 572106411 /nfs/dbraw/zinc/10/64/11/572106411.db2.gz LKOSYOQRGSDODQ-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+](C(C)C)C1 37240272 572106415 /nfs/dbraw/zinc/10/64/15/572106415.db2.gz LKOSYOQRGSDODQ-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP CCCCC[N@H+](C)CC(N)=[NH2+] 37185189 572106446 /nfs/dbraw/zinc/10/64/46/572106446.db2.gz NGTNZHGDRCBAAN-UHFFFAOYSA-N 2 2 157.261 1.044 10 0 ADAELP CCCCC[N@@H+](C)CC(N)=[NH2+] 37185189 572106447 /nfs/dbraw/zinc/10/64/47/572106447.db2.gz NGTNZHGDRCBAAN-UHFFFAOYSA-N 2 2 157.261 1.044 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 37240210 572106480 /nfs/dbraw/zinc/10/64/80/572106480.db2.gz HXXLLIHOEWLYJY-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 37240210 572106484 /nfs/dbraw/zinc/10/64/84/572106484.db2.gz HXXLLIHOEWLYJY-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 37240228 572106750 /nfs/dbraw/zinc/10/67/50/572106750.db2.gz TYHVHRVFOOAVQY-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 37240228 572106751 /nfs/dbraw/zinc/10/67/51/572106751.db2.gz TYHVHRVFOOAVQY-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H]1CSCC[N@@H+]1C 234049809 572108892 /nfs/dbraw/zinc/10/88/92/572108892.db2.gz YMWCBEXAPRCVAV-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H]1CSCC[N@H+]1C 234049809 572108895 /nfs/dbraw/zinc/10/88/95/572108895.db2.gz YMWCBEXAPRCVAV-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@H+](C)Cc1cccc(C)c1 37269500 572109179 /nfs/dbraw/zinc/10/91/79/572109179.db2.gz DMSRNMFGUWUYOO-UHFFFAOYSA-N 2 2 192.306 1.646 10 0 ADAELP C[NH2+]CC[N@@H+](C)Cc1cccc(C)c1 37269500 572109182 /nfs/dbraw/zinc/10/91/82/572109182.db2.gz DMSRNMFGUWUYOO-UHFFFAOYSA-N 2 2 192.306 1.646 10 0 ADAELP CC[C@H]([NH2+]C)[C@H]1CSCC[N@@H+]1C 234055680 572109857 /nfs/dbraw/zinc/10/98/57/572109857.db2.gz YMWCBEXAPRCVAV-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@H]([NH2+]C)[C@H]1CSCC[N@H+]1C 234055680 572109860 /nfs/dbraw/zinc/10/98/60/572109860.db2.gz YMWCBEXAPRCVAV-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP CCCCCC[N@H+](C)CC[NH2+]C 37269472 572109914 /nfs/dbraw/zinc/10/99/14/572109914.db2.gz BEKQGGIVIUMFIP-UHFFFAOYSA-N 2 2 172.316 1.718 10 0 ADAELP CCCCCC[N@@H+](C)CC[NH2+]C 37269472 572109916 /nfs/dbraw/zinc/10/99/16/572109916.db2.gz BEKQGGIVIUMFIP-UHFFFAOYSA-N 2 2 172.316 1.718 10 0 ADAELP CC(C)[NH2+]C1(C[NH+](C)C)CCC1 393339272 572112304 /nfs/dbraw/zinc/11/23/04/572112304.db2.gz SOYPYEOGWBVWBL-UHFFFAOYSA-N 2 2 170.300 1.469 10 0 ADAELP Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)o1 34962255 572113562 /nfs/dbraw/zinc/11/35/62/572113562.db2.gz PLDWGBGBKYAZNZ-UHFFFAOYSA-N 2 2 194.278 1.383 10 0 ADAELP Cc1ccc(C[N@H+]2CCC[NH2+]CC2)o1 34962255 572113564 /nfs/dbraw/zinc/11/35/64/572113564.db2.gz PLDWGBGBKYAZNZ-UHFFFAOYSA-N 2 2 194.278 1.383 10 0 ADAELP CCC(C)(C)[N@H+](C)CC(N)=[NH2+] 17712663 572116399 /nfs/dbraw/zinc/11/63/99/572116399.db2.gz NUEMZXYVYPUPSG-UHFFFAOYSA-N 2 2 157.261 1.043 10 0 ADAELP CCC(C)(C)[N@@H+](C)CC(N)=[NH2+] 17712663 572116402 /nfs/dbraw/zinc/11/64/02/572116402.db2.gz NUEMZXYVYPUPSG-UHFFFAOYSA-N 2 2 157.261 1.043 10 0 ADAELP Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C[NH3+] 235144631 572116920 /nfs/dbraw/zinc/11/69/20/572116920.db2.gz QXSTVTAVCNGYBD-BQBZGAKWSA-N 2 2 197.282 1.289 10 0 ADAELP [NH3+][C@H]1C[C@H]1c1[nH+]ccn1C1CC1 711787643 572119380 /nfs/dbraw/zinc/11/93/80/572119380.db2.gz NWDSHPQFLIRCDS-SFYZADRCSA-N 2 2 163.224 1.033 10 0 ADAELP C[C@@H](CCC[NH3+])[NH2+]OC(C)(C)C 393340291 572120799 /nfs/dbraw/zinc/12/07/99/572120799.db2.gz YDHZZODADNFNCW-QMMMGPOBSA-N 2 2 174.288 1.434 10 0 ADAELP C[NH2+][C@@H](C)C[C@H](C)n1cc[nH+]c1 82803542 572119544 /nfs/dbraw/zinc/11/95/44/572119544.db2.gz RABQLDNCEQTVSB-IUCAKERBSA-N 2 2 167.256 1.442 10 0 ADAELP C[C@H](CCC[NH3+])[NH2+]OC(C)(C)C 393340290 572119689 /nfs/dbraw/zinc/11/96/89/572119689.db2.gz YDHZZODADNFNCW-MRVPVSSYSA-N 2 2 174.288 1.434 10 0 ADAELP [NH3+][C@@H]1C[C@@H]1c1[nH+]ccn1C1CC1 711787636 572119787 /nfs/dbraw/zinc/11/97/87/572119787.db2.gz NWDSHPQFLIRCDS-JGVFFNPUSA-N 2 2 163.224 1.033 10 0 ADAELP C[NH2+][C@H](C)C[C@@H](C)n1cc[nH+]c1 82803540 572119792 /nfs/dbraw/zinc/11/97/92/572119792.db2.gz RABQLDNCEQTVSB-RKDXNWHRSA-N 2 2 167.256 1.442 10 0 ADAELP [NH3+][C@H]1C[C@@H]1c1[nH+]ccn1C1CC1 711787647 572119867 /nfs/dbraw/zinc/11/98/67/572119867.db2.gz NWDSHPQFLIRCDS-YUMQZZPRSA-N 2 2 163.224 1.033 10 0 ADAELP CC[NH2+][C@@H](C)C[C@@H](C)n1cc[nH+]c1 82803563 572120012 /nfs/dbraw/zinc/12/00/12/572120012.db2.gz UJWIGOYBLBOKLX-VHSXEESVSA-N 2 2 181.283 1.832 10 0 ADAELP CC[NH2+][C@H](C)C[C@@H](C)n1cc[nH+]c1 82803564 572120655 /nfs/dbraw/zinc/12/06/55/572120655.db2.gz UJWIGOYBLBOKLX-NXEZZACHSA-N 2 2 181.283 1.832 10 0 ADAELP C[NH2+][C@@H](C)C[C@@H](C)n1cc[nH+]c1 82803535 572121248 /nfs/dbraw/zinc/12/12/48/572121248.db2.gz RABQLDNCEQTVSB-DTWKUNHWSA-N 2 2 167.256 1.442 10 0 ADAELP CCCCc1[nH+]c(CC[NH3+])cn1C 71494021 572121399 /nfs/dbraw/zinc/12/13/99/572121399.db2.gz KYXOGSYZGFTYGY-UHFFFAOYSA-N 2 2 181.283 1.264 10 0 ADAELP CC(C)Cc1[nH]c(CC[NH3+])c[nH+]1 71494019 572121414 /nfs/dbraw/zinc/12/14/14/572121414.db2.gz WLVSKMZIIJJYNQ-UHFFFAOYSA-N 2 2 167.256 1.109 10 0 ADAELP CC(C)Cc1[nH]cc(CC[NH3+])[nH+]1 71494019 572121419 /nfs/dbraw/zinc/12/14/19/572121419.db2.gz WLVSKMZIIJJYNQ-UHFFFAOYSA-N 2 2 167.256 1.109 10 0 ADAELP C[NH2+][C@H](C)C[C@H](C)n1cc[nH+]c1 82803544 572121671 /nfs/dbraw/zinc/12/16/71/572121671.db2.gz RABQLDNCEQTVSB-BDAKNGLRSA-N 2 2 167.256 1.442 10 0 ADAELP CC[NH2+][C@H](C)C[C@H](C)n1cc[nH+]c1 82803572 572121730 /nfs/dbraw/zinc/12/17/30/572121730.db2.gz UJWIGOYBLBOKLX-ZJUUUORDSA-N 2 2 181.283 1.832 10 0 ADAELP CC[N@@H+]1CC[C@@H]2[C@H](C1)[NH2+]CC2(C)C 250226668 572124748 /nfs/dbraw/zinc/12/47/48/572124748.db2.gz FOCSAQTXKGBJPN-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@H+]1CC[C@@H]2[C@H](C1)[NH2+]CC2(C)C 250226668 572124750 /nfs/dbraw/zinc/12/47/50/572124750.db2.gz FOCSAQTXKGBJPN-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[NH2+]C[C@@H](C)C[N@H+](C)C/C=C/Cl 300343111 572125051 /nfs/dbraw/zinc/12/50/51/572125051.db2.gz KOXIWHRWGYPXQQ-XNPJLODASA-N 2 2 190.718 1.526 10 0 ADAELP C[NH2+]C[C@@H](C)C[N@@H+](C)C/C=C/Cl 300343111 572125054 /nfs/dbraw/zinc/12/50/54/572125054.db2.gz KOXIWHRWGYPXQQ-XNPJLODASA-N 2 2 190.718 1.526 10 0 ADAELP CCC[C@@H](C)[C@H](C[NH+](C)C)[NH2+]C 300344878 572125192 /nfs/dbraw/zinc/12/51/92/572125192.db2.gz SQDNSUIFTQKMCI-ZJUUUORDSA-N 2 2 172.316 1.572 10 0 ADAELP CC[N@@H+]1CC[C@H]2[C@H](C1)[NH2+]CC2(C)C 250226666 572125797 /nfs/dbraw/zinc/12/57/97/572125797.db2.gz FOCSAQTXKGBJPN-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@H+]1CC[C@H]2[C@H](C1)[NH2+]CC2(C)C 250226666 572125801 /nfs/dbraw/zinc/12/58/01/572125801.db2.gz FOCSAQTXKGBJPN-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP CCC[C@@H](C)[C@H](C[NH+](C)C)[NH2+]CC 300343392 572126247 /nfs/dbraw/zinc/12/62/47/572126247.db2.gz LUZHTZKBJPDJGW-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP C[NH2+][C@@H](C)CC(C)(C)c1[nH+]ccn1C 82816534 572127600 /nfs/dbraw/zinc/12/76/00/572127600.db2.gz CANKTPGPUHEBBA-VIFPVBQESA-N 2 2 195.310 1.696 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H](C)CC2CC2)c[nH+]1 69664215 572128770 /nfs/dbraw/zinc/12/87/70/572128770.db2.gz JPWUXWIAJKWRCK-QMMMGPOBSA-N 2 2 193.294 1.996 10 0 ADAELP [NH3+][C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 71497106 572129788 /nfs/dbraw/zinc/12/97/88/572129788.db2.gz PFYFBMAZOJWLQB-MNOVXSKESA-N 2 2 176.263 1.438 10 0 ADAELP [NH3+][C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 71497102 572129967 /nfs/dbraw/zinc/12/99/67/572129967.db2.gz PFYFBMAZOJWLQB-QWRGUYRKSA-N 2 2 176.263 1.438 10 0 ADAELP CC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C)C1 69671470 572131433 /nfs/dbraw/zinc/13/14/33/572131433.db2.gz YXBJXHMVAPRTIR-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C1 69671470 572131434 /nfs/dbraw/zinc/13/14/34/572131434.db2.gz YXBJXHMVAPRTIR-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](CC1CC1)[NH2+]Cc1c[nH+]c[nH]1 69664470 572130110 /nfs/dbraw/zinc/13/01/10/572130110.db2.gz LUSKJLCITNIZAS-QMMMGPOBSA-N 2 2 179.267 1.688 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 300358259 572130130 /nfs/dbraw/zinc/13/01/30/572130130.db2.gz DTWWUMFSUCVHRP-JFGNBEQYSA-N 2 2 194.322 1.611 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 300358259 572130134 /nfs/dbraw/zinc/13/01/34/572130134.db2.gz DTWWUMFSUCVHRP-JFGNBEQYSA-N 2 2 194.322 1.611 10 0 ADAELP [NH3+][C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 71497104 572130434 /nfs/dbraw/zinc/13/04/34/572130434.db2.gz PFYFBMAZOJWLQB-WDEREUQCSA-N 2 2 176.263 1.438 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 300358260 572130446 /nfs/dbraw/zinc/13/04/46/572130446.db2.gz DTWWUMFSUCVHRP-SCVCMEIPSA-N 2 2 194.322 1.611 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 300358260 572130447 /nfs/dbraw/zinc/13/04/47/572130447.db2.gz DTWWUMFSUCVHRP-SCVCMEIPSA-N 2 2 194.322 1.611 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)C)C1 300357976 572130466 /nfs/dbraw/zinc/13/04/66/572130466.db2.gz ZNWZRDRQBQQNEX-GRYCIOLGSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C(C)C)C1 300357976 572130468 /nfs/dbraw/zinc/13/04/68/572130468.db2.gz ZNWZRDRQBQQNEX-GRYCIOLGSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)C)C1 300357977 572130686 /nfs/dbraw/zinc/13/06/86/572130686.db2.gz ZNWZRDRQBQQNEX-WOPDTQHZSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)C)C1 300357977 572130689 /nfs/dbraw/zinc/13/06/89/572130689.db2.gz ZNWZRDRQBQQNEX-WOPDTQHZSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@H](CC1CC1)[NH2+]CC[NH+](C)C 69672694 572130920 /nfs/dbraw/zinc/13/09/20/572130920.db2.gz MSFCBCDWUSJNPS-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C)C1 69671473 572131119 /nfs/dbraw/zinc/13/11/19/572131119.db2.gz YXBJXHMVAPRTIR-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C)C1 69671473 572131121 /nfs/dbraw/zinc/13/11/21/572131121.db2.gz YXBJXHMVAPRTIR-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC([NH2+]CC[NH+](C)C)C[C@H](C)C1 82829312 572131143 /nfs/dbraw/zinc/13/11/43/572131143.db2.gz FPKMTMUBXIHALO-FOSCPWQOSA-N 2 2 198.354 1.962 10 0 ADAELP [NH3+][C@H](c1ccccc1)[C@H]1CCC[NH2+]1 71497107 572131270 /nfs/dbraw/zinc/13/12/70/572131270.db2.gz PFYFBMAZOJWLQB-GHMZBOCLSA-N 2 2 176.263 1.438 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C1 300357840 572131611 /nfs/dbraw/zinc/13/16/11/572131611.db2.gz SCMPVJDKFJNXAD-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C1 300357840 572131613 /nfs/dbraw/zinc/13/16/13/572131613.db2.gz SCMPVJDKFJNXAD-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H](CC1CC1)[NH2+]CC[NH+](C)C 69672691 572131895 /nfs/dbraw/zinc/13/18/95/572131895.db2.gz MSFCBCDWUSJNPS-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C)C1 69671465 572132102 /nfs/dbraw/zinc/13/21/02/572132102.db2.gz YXBJXHMVAPRTIR-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C)C1 69671465 572132105 /nfs/dbraw/zinc/13/21/05/572132105.db2.gz YXBJXHMVAPRTIR-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)C[C@@H]1C 82835652 572132625 /nfs/dbraw/zinc/13/26/25/572132625.db2.gz RJKBMDFNZCSSCV-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCCC1 43334301 572132801 /nfs/dbraw/zinc/13/28/01/572132801.db2.gz XOSGLXCTPCVESS-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H]([NH2+]CC[NH+](C)C)C1(C)CC1 37467476 572133289 /nfs/dbraw/zinc/13/32/89/572133289.db2.gz NNKWMZXGVHPALH-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP C[C@H]([NH3+])[C@H](c1ccco1)[NH+]1CCCC1 43334303 572133776 /nfs/dbraw/zinc/13/37/76/572133776.db2.gz XOSGLXCTPCVESS-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C[C@@H]1C 82835657 572134293 /nfs/dbraw/zinc/13/42/93/572134293.db2.gz RJKBMDFNZCSSCV-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1(C)CC1 37468188 572134571 /nfs/dbraw/zinc/13/45/71/572134571.db2.gz AGPDMZGZCATBBF-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]([NH2+]CC[NH+](C)C)C1(C)CC1 37467478 572134916 /nfs/dbraw/zinc/13/49/16/572134916.db2.gz NNKWMZXGVHPALH-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@H]([NH2+]CC[NH+]1CCCC1)C1(C)CC1 37468186 572135201 /nfs/dbraw/zinc/13/52/01/572135201.db2.gz AGPDMZGZCATBBF-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@H]1CCS[C@H]1C 300351758 572135621 /nfs/dbraw/zinc/13/56/21/572135621.db2.gz DHDADWAPTWCHBA-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@H]1CCS[C@H]1C 300351758 572135625 /nfs/dbraw/zinc/13/56/25/572135625.db2.gz DHDADWAPTWCHBA-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C 300377630 572138133 /nfs/dbraw/zinc/13/81/33/572138133.db2.gz FQLVJWQHZOZQDC-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C 300377631 572136735 /nfs/dbraw/zinc/13/67/35/572136735.db2.gz FQLVJWQHZOZQDC-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C 300377631 572136739 /nfs/dbraw/zinc/13/67/39/572136739.db2.gz FQLVJWQHZOZQDC-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1c1[nH+]ccn1C1CC1 711802960 572138747 /nfs/dbraw/zinc/13/87/47/572138747.db2.gz UAKNAZSMIUEYAL-WPRPVWTQSA-N 2 2 191.278 1.541 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C 300377629 572137364 /nfs/dbraw/zinc/13/73/64/572137364.db2.gz FQLVJWQHZOZQDC-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C 300377629 572137366 /nfs/dbraw/zinc/13/73/66/572137366.db2.gz FQLVJWQHZOZQDC-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C 300377630 572138131 /nfs/dbraw/zinc/13/81/31/572138131.db2.gz FQLVJWQHZOZQDC-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]1C 300362631 572139501 /nfs/dbraw/zinc/13/95/01/572139501.db2.gz CTKGHHIVJADWEM-ZJUUUORDSA-N 2 2 170.300 1.184 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]1C 300362631 572139502 /nfs/dbraw/zinc/13/95/02/572139502.db2.gz CTKGHHIVJADWEM-ZJUUUORDSA-N 2 2 170.300 1.184 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@@H]1CCS[C@H]1C 300351757 572138258 /nfs/dbraw/zinc/13/82/58/572138258.db2.gz DHDADWAPTWCHBA-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCS[C@H]1C 300351757 572138261 /nfs/dbraw/zinc/13/82/61/572138261.db2.gz DHDADWAPTWCHBA-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP CC[N@H+](C)CC[NH2+]C[C@H]1C[C@H]1C 300362630 572138650 /nfs/dbraw/zinc/13/86/50/572138650.db2.gz CTKGHHIVJADWEM-NXEZZACHSA-N 2 2 170.300 1.184 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C[C@H]1C[C@H]1C 300362630 572138651 /nfs/dbraw/zinc/13/86/51/572138651.db2.gz CTKGHHIVJADWEM-NXEZZACHSA-N 2 2 170.300 1.184 10 0 ADAELP CCC[C@@H]1C[C@@H]1[N@@H+]1CCC[C@H]([NH2+]C)C1 300362735 572138777 /nfs/dbraw/zinc/13/87/77/572138777.db2.gz FHVRJUNFSWRYRS-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1C[C@@H]1[N@H+]1CCC[C@H]([NH2+]C)C1 300362735 572138781 /nfs/dbraw/zinc/13/87/81/572138781.db2.gz FHVRJUNFSWRYRS-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C)CC[NH2+]C[C@@H]1[C@H]2CCC[C@H]21 300368200 572139230 /nfs/dbraw/zinc/13/92/30/572139230.db2.gz PARIUTNVAZERQI-GDNZZTSVSA-N 2 2 196.338 1.574 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C[C@@H]1[C@H]2CCC[C@H]21 300368200 572139235 /nfs/dbraw/zinc/13/92/35/572139235.db2.gz PARIUTNVAZERQI-GDNZZTSVSA-N 2 2 196.338 1.574 10 0 ADAELP C[NH+](C)[C@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]1 71506629 572139237 /nfs/dbraw/zinc/13/92/37/572139237.db2.gz QRJUZSOXFBQBAL-WDEREUQCSA-N 2 2 193.294 1.369 10 0 ADAELP CC[N@H+](C)CC[NH2+]C[C@H]1CCC[C@H]1C 300368884 572139622 /nfs/dbraw/zinc/13/96/22/572139622.db2.gz VCOJBEBEXDRKAA-VXGBXAGGSA-N 2 2 198.354 1.964 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C[C@H]1CCC[C@H]1C 300368884 572139626 /nfs/dbraw/zinc/13/96/26/572139626.db2.gz VCOJBEBEXDRKAA-VXGBXAGGSA-N 2 2 198.354 1.964 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@@H](C)Cc1ccco1 69800920 572140902 /nfs/dbraw/zinc/14/09/02/572140902.db2.gz HFMPIZQKEVEMIF-JTQLQIEISA-N 2 2 196.294 1.362 10 0 ADAELP CC(C)(C)c1c[nH+]c(CCCC[NH3+])[nH]1 69734725 572140198 /nfs/dbraw/zinc/14/01/98/572140198.db2.gz MYXNYGIGUHZEBS-UHFFFAOYSA-N 2 2 195.310 1.989 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@@H](C)Cc1ccco1 69800920 572140904 /nfs/dbraw/zinc/14/09/04/572140904.db2.gz HFMPIZQKEVEMIF-JTQLQIEISA-N 2 2 196.294 1.362 10 0 ADAELP C[NH+](C)[C@@H](c1cc[nH]c1)[C@H]1CCC[NH2+]1 71506630 572140308 /nfs/dbraw/zinc/14/03/08/572140308.db2.gz QRJUZSOXFBQBAL-MNOVXSKESA-N 2 2 193.294 1.369 10 0 ADAELP C[NH+](C)[C@@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]1 71506628 572140350 /nfs/dbraw/zinc/14/03/50/572140350.db2.gz QRJUZSOXFBQBAL-QWRGUYRKSA-N 2 2 193.294 1.369 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@H](C)Cc1ccco1 69800922 572140567 /nfs/dbraw/zinc/14/05/67/572140567.db2.gz HFMPIZQKEVEMIF-SNVBAGLBSA-N 2 2 196.294 1.362 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@H](C)Cc1ccco1 69800922 572140569 /nfs/dbraw/zinc/14/05/69/572140569.db2.gz HFMPIZQKEVEMIF-SNVBAGLBSA-N 2 2 196.294 1.362 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@@H]1CCCSC1 69800991 572140680 /nfs/dbraw/zinc/14/06/80/572140680.db2.gz KTVANLQGZQOKKE-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@@H]1CCCSC1 69800991 572140683 /nfs/dbraw/zinc/14/06/83/572140683.db2.gz KTVANLQGZQOKKE-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CC[N@H+](C)CC[NH2+]C[C@@H]1CCC[C@H]1C 300368882 572140758 /nfs/dbraw/zinc/14/07/58/572140758.db2.gz VCOJBEBEXDRKAA-NEPJUHHUSA-N 2 2 198.354 1.964 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C[C@@H]1CCC[C@H]1C 300368882 572140759 /nfs/dbraw/zinc/14/07/59/572140759.db2.gz VCOJBEBEXDRKAA-NEPJUHHUSA-N 2 2 198.354 1.964 10 0 ADAELP CCC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H]([NH2+]CC)C1 300373193 572141918 /nfs/dbraw/zinc/14/19/18/572141918.db2.gz AJFFVZOERIZBHL-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH2+]CC)C1 300373193 572141920 /nfs/dbraw/zinc/14/19/20/572141920.db2.gz AJFFVZOERIZBHL-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH+](C)[C@H](c1cc[nH]c1)[C@H]1CCC[NH2+]1 71506631 572142246 /nfs/dbraw/zinc/14/22/46/572142246.db2.gz QRJUZSOXFBQBAL-GHMZBOCLSA-N 2 2 193.294 1.369 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@H]1CCCSC1 69800993 572142306 /nfs/dbraw/zinc/14/23/06/572142306.db2.gz KTVANLQGZQOKKE-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@H]1CCCSC1 69800993 572142309 /nfs/dbraw/zinc/14/23/09/572142309.db2.gz KTVANLQGZQOKKE-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1cc[nH]c1)[NH+]1CCCC1 71506643 572142440 /nfs/dbraw/zinc/14/24/40/572142440.db2.gz WVTRRMUHTDXOFP-MWLCHTKSSA-N 2 2 193.294 1.499 10 0 ADAELP CSCC[C@H](C[NH3+])[N@H+](C)C1CC1 37472140 572142441 /nfs/dbraw/zinc/14/24/41/572142441.db2.gz JXJWQOISVSJIGE-SECBINFHSA-N 2 2 188.340 1.161 10 0 ADAELP CSCC[C@H](C[NH3+])[N@@H+](C)C1CC1 37472140 572142444 /nfs/dbraw/zinc/14/24/44/572142444.db2.gz JXJWQOISVSJIGE-SECBINFHSA-N 2 2 188.340 1.161 10 0 ADAELP CCC[C@@H]1C[C@H]1[N@@H+]1CC[C@H]([NH2+]CC)C1 300373191 572142473 /nfs/dbraw/zinc/14/24/73/572142473.db2.gz AJFFVZOERIZBHL-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1C[C@H]1[N@H+]1CC[C@H]([NH2+]CC)C1 300373191 572142474 /nfs/dbraw/zinc/14/24/74/572142474.db2.gz AJFFVZOERIZBHL-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH+](C)CC[NH2+]CCCC(C)(C)C 300954777 572142793 /nfs/dbraw/zinc/14/27/93/572142793.db2.gz XTYBQVGBVIYXRF-UHFFFAOYSA-N 2 2 186.343 1.964 10 0 ADAELP C[NH2+]CC[N@H+](C)C1CCSCC1 69801138 572142825 /nfs/dbraw/zinc/14/28/25/572142825.db2.gz DAAYNZZMZWTRKS-UHFFFAOYSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]CC[N@@H+](C)C1CCSCC1 69801138 572142827 /nfs/dbraw/zinc/14/28/27/572142827.db2.gz DAAYNZZMZWTRKS-UHFFFAOYSA-N 2 2 188.340 1.033 10 0 ADAELP [NH3+][C@H](c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 71506758 572142931 /nfs/dbraw/zinc/14/29/31/572142931.db2.gz OASLDDIIUBBXQF-WDEREUQCSA-N 2 2 194.253 1.578 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 300374922 572143222 /nfs/dbraw/zinc/14/32/22/572143222.db2.gz CFBTUJJKKMDZJX-USWWRNFRSA-N 2 2 194.322 1.611 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH2+]C2CC2)C1 300374922 572143226 /nfs/dbraw/zinc/14/32/26/572143226.db2.gz CFBTUJJKKMDZJX-USWWRNFRSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1cc[nH]c1)[NH+]1CCCC1 71506640 572143338 /nfs/dbraw/zinc/14/33/38/572143338.db2.gz WVTRRMUHTDXOFP-ONGXEEELSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1cc[nH]c1)[NH+]1CCCC1 71506641 572143404 /nfs/dbraw/zinc/14/34/04/572143404.db2.gz WVTRRMUHTDXOFP-KOLCDFICSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H]([NH3+])[C@H](c1cc[nH]c1)[NH+]1CCCC1 71506642 572143473 /nfs/dbraw/zinc/14/34/73/572143473.db2.gz WVTRRMUHTDXOFP-GXSJLCMTSA-N 2 2 193.294 1.499 10 0 ADAELP CC[C@@H]1C[C@H]1[N@H+]1CC[C@H]([NH2+]C2CC2)C1 300374921 572143889 /nfs/dbraw/zinc/14/38/89/572143889.db2.gz CFBTUJJKKMDZJX-ADEWGFFLSA-N 2 2 194.322 1.611 10 0 ADAELP [NH3+][C@@H](c1ccc(F)cc1)[C@H]1CCC[NH2+]1 71506759 572143968 /nfs/dbraw/zinc/14/39/68/572143968.db2.gz OASLDDIIUBBXQF-MNOVXSKESA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@H](c1ccc(F)cc1)[C@H]1CCC[NH2+]1 71506760 572143993 /nfs/dbraw/zinc/14/39/93/572143993.db2.gz OASLDDIIUBBXQF-GHMZBOCLSA-N 2 2 194.253 1.578 10 0 ADAELP C[NH2+]CC[N@H+](C)CCc1ccsc1 69764958 572144038 /nfs/dbraw/zinc/14/40/38/572144038.db2.gz UZPFVMDONSBNRO-UHFFFAOYSA-N 2 2 198.335 1.442 10 0 ADAELP C[NH2+]CC[N@@H+](C)CCc1ccsc1 69764958 572144042 /nfs/dbraw/zinc/14/40/42/572144042.db2.gz UZPFVMDONSBNRO-UHFFFAOYSA-N 2 2 198.335 1.442 10 0 ADAELP CCC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H]([NH2+]C)C1 300380651 572144227 /nfs/dbraw/zinc/14/42/27/572144227.db2.gz IOKZDRRMYWZRGV-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH2+]C)C1 300380651 572144230 /nfs/dbraw/zinc/14/42/30/572144230.db2.gz IOKZDRRMYWZRGV-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)C1CC1 37477283 572144373 /nfs/dbraw/zinc/14/43/73/572144373.db2.gz ZETZGIIYMWVUSP-UHFFFAOYSA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)C1CC1 37477283 572144375 /nfs/dbraw/zinc/14/43/75/572144375.db2.gz ZETZGIIYMWVUSP-UHFFFAOYSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]CCCn1cc[nH+]c1 300381189 572144690 /nfs/dbraw/zinc/14/46/90/572144690.db2.gz JBDYRLFJNDTONB-MNOVXSKESA-N 2 2 193.294 1.661 10 0 ADAELP CCC[N@H+](C)CC[NH2+]C(C)C 37477290 572144817 /nfs/dbraw/zinc/14/48/17/572144817.db2.gz FAVPPYNIXMXUMY-UHFFFAOYSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[N@@H+](C)CC[NH2+]C(C)C 37477290 572144820 /nfs/dbraw/zinc/14/48/20/572144820.db2.gz FAVPPYNIXMXUMY-UHFFFAOYSA-N 2 2 158.289 1.326 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]CC[NH+](CC)CC 300380659 572145182 /nfs/dbraw/zinc/14/51/82/572145182.db2.gz IOUUGSRKEJPENC-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]([NH3+])[C@H](c1ccncc1)[NH+](C)C 43353092 572147139 /nfs/dbraw/zinc/14/71/39/572147139.db2.gz UZKKPJGXINPKBR-WCBMZHEXSA-N 2 2 179.267 1.032 10 0 ADAELP CCC[C@@H]1C[C@H]1[N@@H+]1CC[C@H]([NH2+]C)C1 300380650 572146407 /nfs/dbraw/zinc/14/64/07/572146407.db2.gz IOKZDRRMYWZRGV-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[C@@H]1C[C@H]1[N@H+]1CC[C@H]([NH2+]C)C1 300380650 572146408 /nfs/dbraw/zinc/14/64/08/572146408.db2.gz IOKZDRRMYWZRGV-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[N@H+](CC[NH2+]C(C)C)C1CC1 37477289 572146472 /nfs/dbraw/zinc/14/64/72/572146472.db2.gz XOQHIZLMLOPAPF-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC[NH2+]C(C)C)C1CC1 37477289 572146473 /nfs/dbraw/zinc/14/64/73/572146473.db2.gz XOQHIZLMLOPAPF-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]CCN(C)c1ccc([NH3+])cc1C 69802944 572146988 /nfs/dbraw/zinc/14/69/88/572146988.db2.gz CZNHATKGLOVFKU-UHFFFAOYSA-N 2 2 193.294 1.233 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[NH+](C)C 43353090 572147172 /nfs/dbraw/zinc/14/71/72/572147172.db2.gz UZKKPJGXINPKBR-WPRPVWTQSA-N 2 2 179.267 1.032 10 0 ADAELP C[NH2+]CCN(C)c1ccc(C)[nH+]c1 69802910 572147288 /nfs/dbraw/zinc/14/72/88/572147288.db2.gz LQCNHGZYLYHHLJ-UHFFFAOYSA-N 2 2 179.267 1.046 10 0 ADAELP CCC[N@H+](C)CC[NH2+]C1CC1 37476743 572147753 /nfs/dbraw/zinc/14/77/53/572147753.db2.gz DTARHGMWEKANDM-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@@H+](C)CC[NH2+]C1CC1 37476743 572147755 /nfs/dbraw/zinc/14/77/55/572147755.db2.gz DTARHGMWEKANDM-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2CC)C1 300383644 572148334 /nfs/dbraw/zinc/14/83/34/572148334.db2.gz LMMUOIAPWSCHNB-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2CC)C1 300383644 572148337 /nfs/dbraw/zinc/14/83/37/572148337.db2.gz LMMUOIAPWSCHNB-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CCCCC[N@H+](C)CC[NH2+]C1CC1 37476750 572148444 /nfs/dbraw/zinc/14/84/44/572148444.db2.gz FMYHWDKBACUWDH-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCCCC[N@@H+](C)CC[NH2+]C1CC1 37476750 572148446 /nfs/dbraw/zinc/14/84/46/572148446.db2.gz FMYHWDKBACUWDH-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CC1CC[NH+](CC[NH2+]C2CC2)CC1 37476667 572148514 /nfs/dbraw/zinc/14/85/14/572148514.db2.gz QKOYDTJSSPUZIT-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]([NH3+])CCc1[nH]c(C(C)(C)C)c[nH+]1 69841075 572148590 /nfs/dbraw/zinc/14/85/90/572148590.db2.gz DXZFLHHJYVLCQM-MRVPVSSYSA-N 2 2 195.310 1.987 10 0 ADAELP C[C@H]([NH3+])CCc1[nH]c(C(C)(C)C)c[nH+]1 69841073 572148626 /nfs/dbraw/zinc/14/86/26/572148626.db2.gz DXZFLHHJYVLCQM-QMMMGPOBSA-N 2 2 195.310 1.987 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@H]2C[C@H]2CC)C1 300383648 572148839 /nfs/dbraw/zinc/14/88/39/572148839.db2.gz LMMUOIAPWSCHNB-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@H]2C[C@H]2CC)C1 300383648 572148841 /nfs/dbraw/zinc/14/88/41/572148841.db2.gz LMMUOIAPWSCHNB-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](CC[NH2+]C1CC1)C1CC1 37476733 572149182 /nfs/dbraw/zinc/14/91/82/572149182.db2.gz VIDRWFXATIOHNA-UHFFFAOYSA-N 2 2 168.284 1.223 10 0 ADAELP CCCC[N@H+](C)CC[NH2+]C1CC1 37476693 572149070 /nfs/dbraw/zinc/14/90/70/572149070.db2.gz BPAJPKRFAFEUNR-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CCCC[N@@H+](C)CC[NH2+]C1CC1 37476693 572149073 /nfs/dbraw/zinc/14/90/73/572149073.db2.gz BPAJPKRFAFEUNR-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CC[N@H+](CC[NH2+]C1CC1)C1CC1 37476733 572149179 /nfs/dbraw/zinc/14/91/79/572149179.db2.gz VIDRWFXATIOHNA-UHFFFAOYSA-N 2 2 168.284 1.223 10 0 ADAELP CC(C)C[N@H+](C)CC1([NH3+])CCCC1 37479607 572150390 /nfs/dbraw/zinc/15/03/90/572150390.db2.gz YXQPMKGPYQXQEK-UHFFFAOYSA-N 2 2 184.327 1.846 10 0 ADAELP CC(C)C[N@@H+](C)CC1([NH3+])CCCC1 37479607 572150394 /nfs/dbraw/zinc/15/03/94/572150394.db2.gz YXQPMKGPYQXQEK-UHFFFAOYSA-N 2 2 184.327 1.846 10 0 ADAELP CCC[N@H+](C)CC[NH2+]CC1CC1 37478565 572150444 /nfs/dbraw/zinc/15/04/44/572150444.db2.gz SWPBCJLGBGUBBA-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CCC[N@@H+](C)CC[NH2+]CC1CC1 37478565 572150446 /nfs/dbraw/zinc/15/04/46/572150446.db2.gz SWPBCJLGBGUBBA-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CC[C@H](C)[N@H+](C)CC1([NH3+])CCCC1 37479609 572150575 /nfs/dbraw/zinc/15/05/75/572150575.db2.gz WJGDEMQOVWXJMG-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@H](C)CC 37479946 572150479 /nfs/dbraw/zinc/15/04/79/572150479.db2.gz UIIBEWLNOCLNJN-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@H](C)CC 37479946 572150482 /nfs/dbraw/zinc/15/04/82/572150482.db2.gz UIIBEWLNOCLNJN-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CC[C@H](C)[N@@H+](C)CC1([NH3+])CCCC1 37479609 572150577 /nfs/dbraw/zinc/15/05/77/572150577.db2.gz WJGDEMQOVWXJMG-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP C[NH2+]CCCc1[nH]cc(C(C)(C)C)[nH+]1 37478004 572150647 /nfs/dbraw/zinc/15/06/47/572150647.db2.gz QLPSLRYSUQGZDW-UHFFFAOYSA-N 2 2 195.310 1.859 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@H+](C)CC 37479927 572150707 /nfs/dbraw/zinc/15/07/07/572150707.db2.gz OLBGOWPPABISMB-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@@H+](C)CC 37479927 572150709 /nfs/dbraw/zinc/15/07/09/572150709.db2.gz OLBGOWPPABISMB-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[N@H+](CC[NH2+]CC1CC1)C1CC1 37478563 572150741 /nfs/dbraw/zinc/15/07/41/572150741.db2.gz ZNSYCSALWFYENM-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[N@@H+](CC[NH2+]CC1CC1)C1CC1 37478563 572150745 /nfs/dbraw/zinc/15/07/45/572150745.db2.gz ZNSYCSALWFYENM-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H](C1CC1)[N@H+](C)CC1([NH3+])CCCC1 37479634 572150793 /nfs/dbraw/zinc/15/07/93/572150793.db2.gz UWICJSJSRGELAB-SNVBAGLBSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H](C1CC1)[N@@H+](C)CC1([NH3+])CCCC1 37479634 572150795 /nfs/dbraw/zinc/15/07/95/572150795.db2.gz UWICJSJSRGELAB-SNVBAGLBSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@H+](C)C1CC1 37479931 572151436 /nfs/dbraw/zinc/15/14/36/572151436.db2.gz NESYBBWJMALTFU-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@@H+](C)C1CC1 37479931 572151439 /nfs/dbraw/zinc/15/14/39/572151439.db2.gz NESYBBWJMALTFU-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP [NH3+][C@H](CCCC(F)F)C[NH+]1CCC1 687890737 572151744 /nfs/dbraw/zinc/15/17/44/572151744.db2.gz MCJXATROIIEOCT-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP C[N@H+](CC[NH2+]CC1CC1)C1CC1 37478549 572151990 /nfs/dbraw/zinc/15/19/90/572151990.db2.gz UXRGGKZWWOMWRH-UHFFFAOYSA-N 2 2 168.284 1.080 10 0 ADAELP C[N@@H+](CC[NH2+]CC1CC1)C1CC1 37478549 572151993 /nfs/dbraw/zinc/15/19/93/572151993.db2.gz UXRGGKZWWOMWRH-UHFFFAOYSA-N 2 2 168.284 1.080 10 0 ADAELP CC[C@@H](C)[N@H+](C)CC1([NH3+])CCCC1 37479608 572152030 /nfs/dbraw/zinc/15/20/30/572152030.db2.gz WJGDEMQOVWXJMG-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H](C)[N@@H+](C)CC1([NH3+])CCCC1 37479608 572152031 /nfs/dbraw/zinc/15/20/31/572152031.db2.gz WJGDEMQOVWXJMG-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@@H](C)CC 37479945 572152188 /nfs/dbraw/zinc/15/21/88/572152188.db2.gz UIIBEWLNOCLNJN-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@@H](C)CC 37479945 572152189 /nfs/dbraw/zinc/15/21/89/572152189.db2.gz UIIBEWLNOCLNJN-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP CC(C)c1c[nH]c(CC[NH2+]C2CC2)[nH+]1 37478660 572152399 /nfs/dbraw/zinc/15/23/99/572152399.db2.gz CKHVSPCYDIBQAD-UHFFFAOYSA-N 2 2 193.294 1.828 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@H+](C)CC 37479928 572152451 /nfs/dbraw/zinc/15/24/51/572152451.db2.gz OLBGOWPPABISMB-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@@H+](C)CC 37479928 572152453 /nfs/dbraw/zinc/15/24/53/572152453.db2.gz OLBGOWPPABISMB-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP COC(C)(C)c1c[nH+]c(CCC[NH3+])[nH]1 300958224 572152704 /nfs/dbraw/zinc/15/27/04/572152704.db2.gz HWRGBJFAXNYSOE-UHFFFAOYSA-N 2 2 197.282 1.183 10 0 ADAELP COC(C)(C)c1c[nH]c(CCC[NH3+])[nH+]1 300958224 572152706 /nfs/dbraw/zinc/15/27/06/572152706.db2.gz HWRGBJFAXNYSOE-UHFFFAOYSA-N 2 2 197.282 1.183 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]C1CC1 300385907 572153100 /nfs/dbraw/zinc/15/31/00/572153100.db2.gz OCLYHWXNGBPFGI-KOLCDFICSA-N 2 2 182.311 1.517 10 0 ADAELP [NH3+][C@@H](CCCC(F)F)C[NH+]1CCC1 687890740 572153232 /nfs/dbraw/zinc/15/32/32/572153232.db2.gz MCJXATROIIEOCT-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP CCC[N@H+](CC)CC1([NH3+])CCCC1 37479603 572153247 /nfs/dbraw/zinc/15/32/47/572153247.db2.gz QJRTZAPQUNVZHP-UHFFFAOYSA-N 2 2 184.327 1.990 10 0 ADAELP CCC[N@@H+](CC)CC1([NH3+])CCCC1 37479603 572153248 /nfs/dbraw/zinc/15/32/48/572153248.db2.gz QJRTZAPQUNVZHP-UHFFFAOYSA-N 2 2 184.327 1.990 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 300389626 572153610 /nfs/dbraw/zinc/15/36/10/572153610.db2.gz SHDKCCSFVQNHBB-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 300389626 572153614 /nfs/dbraw/zinc/15/36/14/572153614.db2.gz SHDKCCSFVQNHBB-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[N@H+](C)C[C@@](C)([NH3+])C1CC1 37479219 572153675 /nfs/dbraw/zinc/15/36/75/572153675.db2.gz JVLJMSPHSBKFDG-LLVKDONJSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)C[N@@H+](C)C[C@@](C)([NH3+])C1CC1 37479219 572153677 /nfs/dbraw/zinc/15/36/77/572153677.db2.gz JVLJMSPHSBKFDG-LLVKDONJSA-N 2 2 184.327 1.702 10 0 ADAELP CCC[N@H+](C)CC[NH2+]C1CCCC1 37482440 572153714 /nfs/dbraw/zinc/15/37/14/572153714.db2.gz INGSKDVVPUJDOW-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[N@@H+](C)CC[NH2+]C1CCCC1 37482440 572153716 /nfs/dbraw/zinc/15/37/16/572153716.db2.gz INGSKDVVPUJDOW-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP Cc1ccc([C@H](C[NH3+])n2cc[nH+]c2)o1 43365435 572153717 /nfs/dbraw/zinc/15/37/17/572153717.db2.gz PHRGHZFNRLIZHB-VIFPVBQESA-N 2 2 191.234 1.333 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]CCc1[nH+]ccn1C 300388912 572153724 /nfs/dbraw/zinc/15/37/24/572153724.db2.gz RFMMBOXQJPDAEP-ZJUUUORDSA-N 2 2 193.294 1.351 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])n2cc[nH+]c2)o1 43365434 572153798 /nfs/dbraw/zinc/15/37/98/572153798.db2.gz PHRGHZFNRLIZHB-SECBINFHSA-N 2 2 191.234 1.333 10 0 ADAELP C[N@H+](C[C@](C)([NH3+])C1CC1)C1CCCC1 37479209 572154181 /nfs/dbraw/zinc/15/41/81/572154181.db2.gz JGQXDJRTAILMJZ-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](C[C@](C)([NH3+])C1CC1)C1CCCC1 37479209 572154182 /nfs/dbraw/zinc/15/41/82/572154182.db2.gz JGQXDJRTAILMJZ-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2CC)C1 300387942 572154108 /nfs/dbraw/zinc/15/41/08/572154108.db2.gz QCDWXVOKHZWEFD-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@H+]([C@@H]2C[C@H]2CC)C1 300387942 572154111 /nfs/dbraw/zinc/15/41/11/572154111.db2.gz QCDWXVOKHZWEFD-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+](CC)C[C@@](C)([NH3+])C1CC1 37479211 572154391 /nfs/dbraw/zinc/15/43/91/572154391.db2.gz WKWOMGLJALIVQY-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP CCC[N@@H+](CC)C[C@@](C)([NH3+])C1CC1 37479211 572154395 /nfs/dbraw/zinc/15/43/95/572154395.db2.gz WKWOMGLJALIVQY-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP C[C@H]1CC[C@@H](C)[C@H]([NH2+]CC[NH+](C)C)C1 82857013 572154804 /nfs/dbraw/zinc/15/48/04/572154804.db2.gz IUXZDBHOFABCRN-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP C[N@H+](C[C@@](C)([NH3+])C1CC1)C1CCCC1 37479208 572154852 /nfs/dbraw/zinc/15/48/52/572154852.db2.gz JGQXDJRTAILMJZ-GFCCVEGCSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](C[C@@](C)([NH3+])C1CC1)C1CCCC1 37479208 572154855 /nfs/dbraw/zinc/15/48/55/572154855.db2.gz JGQXDJRTAILMJZ-GFCCVEGCSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+](C[C@](C)([NH3+])C1CC1)C(C)C 37479204 572155417 /nfs/dbraw/zinc/15/54/17/572155417.db2.gz WQQSSESIYBIADO-NSHDSACASA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](C[C@](C)([NH3+])C1CC1)C(C)C 37479204 572155419 /nfs/dbraw/zinc/15/54/19/572155419.db2.gz WQQSSESIYBIADO-NSHDSACASA-N 2 2 184.327 1.844 10 0 ADAELP [NH3+][C@H](c1cccs1)[C@@H]1CCC[NH2+]1 71499177 572155267 /nfs/dbraw/zinc/15/52/67/572155267.db2.gz MTLJURFABJPARP-CBAPKCEASA-N 2 2 182.292 1.500 10 0 ADAELP CC(C)C[N@H+](C)C[C@](C)([NH3+])C1CC1 37479218 572155462 /nfs/dbraw/zinc/15/54/62/572155462.db2.gz JVLJMSPHSBKFDG-NSHDSACASA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)C[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479218 572155463 /nfs/dbraw/zinc/15/54/63/572155463.db2.gz JVLJMSPHSBKFDG-NSHDSACASA-N 2 2 184.327 1.702 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 300389623 572155606 /nfs/dbraw/zinc/15/56/06/572155606.db2.gz SHDKCCSFVQNHBB-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 300389623 572155607 /nfs/dbraw/zinc/15/56/07/572155607.db2.gz SHDKCCSFVQNHBB-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C[C@@](C)([NH3+])C1CC1)C(C)C 37479205 572155622 /nfs/dbraw/zinc/15/56/22/572155622.db2.gz WQQSSESIYBIADO-LLVKDONJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](C[C@@](C)([NH3+])C1CC1)C(C)C 37479205 572155625 /nfs/dbraw/zinc/15/56/25/572155625.db2.gz WQQSSESIYBIADO-LLVKDONJSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H](C1CC1)[N@H+](C)C[C@](C)([NH3+])C1CC1 37479256 572155772 /nfs/dbraw/zinc/15/57/72/572155772.db2.gz VJIBXIRRGQUAEC-CABZTGNLSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H](C1CC1)[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479256 572155776 /nfs/dbraw/zinc/15/57/76/572155776.db2.gz VJIBXIRRGQUAEC-CABZTGNLSA-N 2 2 196.338 1.844 10 0 ADAELP CCC[N@H+](CC)C[C@](C)([NH3+])C1CC1 37479210 572156290 /nfs/dbraw/zinc/15/62/90/572156290.db2.gz WKWOMGLJALIVQY-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP C[C@H]1CC[C@H](C)[C@H]([NH2+]CC[NH+](C)C)C1 82857011 572156264 /nfs/dbraw/zinc/15/62/64/572156264.db2.gz IUXZDBHOFABCRN-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@@H+](CC)C[C@](C)([NH3+])C1CC1 37479210 572156292 /nfs/dbraw/zinc/15/62/92/572156292.db2.gz WKWOMGLJALIVQY-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@@H+]([C@H]2C[C@H]2CC)C1 300387944 572156342 /nfs/dbraw/zinc/15/63/42/572156342.db2.gz QCDWXVOKHZWEFD-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@H+]([C@H]2C[C@H]2CC)C1 300387944 572156345 /nfs/dbraw/zinc/15/63/45/572156345.db2.gz QCDWXVOKHZWEFD-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C)[N@H+](C)C[C@](C)([NH3+])C1CC1 37479221 572156354 /nfs/dbraw/zinc/15/63/54/572156354.db2.gz ZKRTWPKSFBWCLR-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479221 572156357 /nfs/dbraw/zinc/15/63/57/572156357.db2.gz ZKRTWPKSFBWCLR-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H](C1CC1)[N@H+](C)C[C@](C)([NH3+])C1CC1 37479257 572156625 /nfs/dbraw/zinc/15/66/25/572156625.db2.gz VJIBXIRRGQUAEC-SKDRFNHKSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H](C1CC1)[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479257 572156627 /nfs/dbraw/zinc/15/66/27/572156627.db2.gz VJIBXIRRGQUAEC-SKDRFNHKSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1C[NH+]([C@@H](C)C[NH3+])C[C@H](C)S1 69908154 572157174 /nfs/dbraw/zinc/15/71/74/572157174.db2.gz CZXVUUCEJLGYRC-CIUDSAMLSA-N 2 2 188.340 1.159 10 0 ADAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 37484646 572157618 /nfs/dbraw/zinc/15/76/18/572157618.db2.gz HIWSYPRXWFBAOA-SNVBAGLBSA-N 2 2 194.278 1.321 10 0 ADAELP C[N@H+]1CC[C@H](C[NH2+]Cc2ccco2)C1 37484646 572157625 /nfs/dbraw/zinc/15/76/25/572157625.db2.gz HIWSYPRXWFBAOA-SNVBAGLBSA-N 2 2 194.278 1.321 10 0 ADAELP [NH3+][C@H](c1cccs1)[C@H]1CCC[NH2+]1 71499180 572157629 /nfs/dbraw/zinc/15/76/29/572157629.db2.gz MTLJURFABJPARP-APPZFPTMSA-N 2 2 182.292 1.500 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+]CC[NH+]1CCCC1 300390959 572157934 /nfs/dbraw/zinc/15/79/34/572157934.db2.gz UXYUVIKTWOJFRV-MNOVXSKESA-N 2 2 182.311 1.470 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@@H]2CCC[NH2+]2)cc1 71500890 572158319 /nfs/dbraw/zinc/15/83/19/572158319.db2.gz WNOUAMFMZBGJFT-NWDGAFQWSA-N 2 2 190.290 1.747 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH+](C)C 300390257 572158828 /nfs/dbraw/zinc/15/88/28/572158828.db2.gz TYMYOHMOQNYUNN-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@H]2CCC[NH2+]2)cc1 71500892 572158909 /nfs/dbraw/zinc/15/89/09/572158909.db2.gz WNOUAMFMZBGJFT-NEPJUHHUSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@H]2CCC[NH2+]2)cc1 71500894 572159113 /nfs/dbraw/zinc/15/91/13/572159113.db2.gz WNOUAMFMZBGJFT-VXGBXAGGSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@@H]2CCC[NH2+]2)cc1 71500888 572159198 /nfs/dbraw/zinc/15/91/98/572159198.db2.gz WNOUAMFMZBGJFT-RYUDHWBXSA-N 2 2 190.290 1.747 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 300390997 572159199 /nfs/dbraw/zinc/15/91/99/572159199.db2.gz VDCKBJLJJKRFCH-WOPDTQHZSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH2+]C(C)C)C1 300390997 572159201 /nfs/dbraw/zinc/15/92/01/572159201.db2.gz VDCKBJLJJKRFCH-WOPDTQHZSA-N 2 2 196.338 1.857 10 0 ADAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 37484647 572159683 /nfs/dbraw/zinc/15/96/83/572159683.db2.gz HIWSYPRXWFBAOA-JTQLQIEISA-N 2 2 194.278 1.321 10 0 ADAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccco2)C1 37484647 572159686 /nfs/dbraw/zinc/15/96/86/572159686.db2.gz HIWSYPRXWFBAOA-JTQLQIEISA-N 2 2 194.278 1.321 10 0 ADAELP Cc1ccc(Cc2c[nH+]ccc2N)c[nH+]1 69941633 572160298 /nfs/dbraw/zinc/16/02/98/572160298.db2.gz FNKSEHMMHGUJQJ-UHFFFAOYSA-N 2 2 199.257 1.958 10 0 ADAELP CC[C@@H]1C[C@H]1[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 300390996 572160920 /nfs/dbraw/zinc/16/09/20/572160920.db2.gz VDCKBJLJJKRFCH-GRYCIOLGSA-N 2 2 196.338 1.857 10 0 ADAELP C[NH+](C)CC[NH2+]CCC(C)(C)C 37488721 572163594 /nfs/dbraw/zinc/16/35/94/572163594.db2.gz BDIBJPXNWNNFQQ-UHFFFAOYSA-N 2 2 172.316 1.574 10 0 ADAELP C[C@H]1CCCCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 69944778 572163891 /nfs/dbraw/zinc/16/38/91/572163891.db2.gz FWWOQKBJYYPGJB-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]1CCCCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 69944778 572163893 /nfs/dbraw/zinc/16/38/93/572163893.db2.gz FWWOQKBJYYPGJB-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH+]1CCCC1 300392882 572164667 /nfs/dbraw/zinc/16/46/67/572164667.db2.gz XEORDIFQLIDQOZ-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1ccc(Cc2ccc[nH+]c2N)c[nH+]1 69944251 572165142 /nfs/dbraw/zinc/16/51/42/572165142.db2.gz PMCVKGUBGFHBPF-UHFFFAOYSA-N 2 2 199.257 1.958 10 0 ADAELP Cc1ccc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)o1 35382246 572165783 /nfs/dbraw/zinc/16/57/83/572165783.db2.gz VUKHEIVYYIXFNU-QMMMGPOBSA-N 2 2 191.234 1.554 10 0 ADAELP Cc1ccc([C@H]([NH3+])Cc2[nH]cc[nH+]2)o1 35382245 572166501 /nfs/dbraw/zinc/16/65/01/572166501.db2.gz VUKHEIVYYIXFNU-MRVPVSSYSA-N 2 2 191.234 1.554 10 0 ADAELP CC[NH2+][C@@H]1CC[N@@H+]([C@H]2C[C@H]2CC)C1 300394475 572166832 /nfs/dbraw/zinc/16/68/32/572166832.db2.gz YZUSVDKJJYHSME-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[NH2+][C@@H]1CC[N@H+]([C@H]2C[C@H]2CC)C1 300394475 572166835 /nfs/dbraw/zinc/16/68/35/572166835.db2.gz YZUSVDKJJYHSME-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1ccoc1[C@@H]([NH3+])Cc1[nH]cc[nH+]1 35382270 572166882 /nfs/dbraw/zinc/16/68/82/572166882.db2.gz ZLUFMZSOPWRLEZ-QMMMGPOBSA-N 2 2 191.234 1.554 10 0 ADAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2CC)C1 300394474 572167615 /nfs/dbraw/zinc/16/76/15/572167615.db2.gz YZUSVDKJJYHSME-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2CC)C1 300394474 572167618 /nfs/dbraw/zinc/16/76/18/572167618.db2.gz YZUSVDKJJYHSME-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)Nc1[nH]cc[nH+]1 235158943 572171886 /nfs/dbraw/zinc/17/18/86/572171886.db2.gz LUEHJXMMTYKWGB-QMMMGPOBSA-N 2 2 191.238 1.107 10 0 ADAELP C[NH2+][C@H](C)C[NH+](CC1CC1)CC1CC1 70064169 572174187 /nfs/dbraw/zinc/17/41/87/572174187.db2.gz RGRZFIBKAYKHBJ-SNVBAGLBSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@@H](C)C[NH+](CC1CC1)CC1CC1 70064168 572174318 /nfs/dbraw/zinc/17/43/18/572174318.db2.gz RGRZFIBKAYKHBJ-JTQLQIEISA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+](CC1CC1)CC1CC1 70064200 572174898 /nfs/dbraw/zinc/17/48/98/572174898.db2.gz SYQYAQHENGKJTQ-ZJUUUORDSA-N 2 2 196.338 1.844 10 0 ADAELP C[NH2+]C[C@H](C)[NH+](CC1CC1)CC1CC1 70064547 572174555 /nfs/dbraw/zinc/17/45/55/572174555.db2.gz UQQQXRPGVZFNMU-JTQLQIEISA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H]([NH3+])C[NH+](CC1CC1)CC1CC1 70064132 572174633 /nfs/dbraw/zinc/17/46/33/572174633.db2.gz CQTSNHAIKFYJQV-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH+](CC1CC1)CC1CC1 70064197 572174733 /nfs/dbraw/zinc/17/47/33/572174733.db2.gz SYQYAQHENGKJTQ-VHSXEESVSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+](CC1CC1)CC1CC1 70064199 572174962 /nfs/dbraw/zinc/17/49/62/572174962.db2.gz SYQYAQHENGKJTQ-UWVGGRQHSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)([NH3+])C[NH+](CC1CC1)CC1CC1 70064398 572175128 /nfs/dbraw/zinc/17/51/28/572175128.db2.gz CHAJKLHWSVGQTD-UHFFFAOYSA-N 2 2 196.338 1.846 10 0 ADAELP C[NH2+]C[C@@H](C)[NH+](CC1CC1)CC1CC1 70064548 572175635 /nfs/dbraw/zinc/17/56/35/572175635.db2.gz UQQQXRPGVZFNMU-SNVBAGLBSA-N 2 2 196.338 1.716 10 0 ADAELP C1C[C@H]([NH+](CC2CC2)CC2CC2)C[NH2+]1 70064256 572175679 /nfs/dbraw/zinc/17/56/79/572175679.db2.gz FQCNAYLKCSKJGN-LBPRGKRZSA-N 2 2 194.322 1.470 10 0 ADAELP CC[C@@H]([NH3+])C[NH+](CC1CC1)CC1CC1 70064133 572175910 /nfs/dbraw/zinc/17/59/10/572175910.db2.gz CQTSNHAIKFYJQV-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP C1C[C@@H]([NH+](CC2CC2)CC2CC2)C[NH2+]1 70064255 572176180 /nfs/dbraw/zinc/17/61/80/572176180.db2.gz FQCNAYLKCSKJGN-GFCCVEGCSA-N 2 2 194.322 1.470 10 0 ADAELP C[C@H]1SCC[C@H]1[NH2+]CC[NH+](C)C 235650673 572176751 /nfs/dbraw/zinc/17/67/51/572176751.db2.gz HIZCUHJXPFPMAQ-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP Cc1ncsc1[C@@H](C)[NH2+]CC[NH3+] 37713033 572177862 /nfs/dbraw/zinc/17/78/62/572177862.db2.gz AAMHIOXWOCJPKS-ZCFIWIBFSA-N 2 2 185.296 1.061 10 0 ADAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC[NH3+])o1 37712328 572178135 /nfs/dbraw/zinc/17/81/35/572178135.db2.gz CPRMYEYXNTXZDK-PSASIEDQSA-N 2 2 194.278 1.451 10 0 ADAELP Cc1cc(C[NH2+]CC[NH3+])cc(C)c1O 37712713 572178672 /nfs/dbraw/zinc/17/86/72/572178672.db2.gz QOXXSIYPWPCGGR-UHFFFAOYSA-N 2 2 194.278 1.057 10 0 ADAELP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC[NH3+])o1 37712327 572178736 /nfs/dbraw/zinc/17/87/36/572178736.db2.gz CPRMYEYXNTXZDK-WPRPVWTQSA-N 2 2 194.278 1.451 10 0 ADAELP C[C@H]([NH2+]CC[NH3+])c1ccc(O)cc1 37712352 572178815 /nfs/dbraw/zinc/17/88/15/572178815.db2.gz NUAMSLNGCJHFEU-QMMMGPOBSA-N 2 2 180.251 1.002 10 0 ADAELP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC[NH3+])o1 37712329 572179360 /nfs/dbraw/zinc/17/93/60/572179360.db2.gz CPRMYEYXNTXZDK-WCBMZHEXSA-N 2 2 194.278 1.451 10 0 ADAELP Cc1nc([C@@H](C)[NH2+]CCC[NH3+])cs1 37713674 572179779 /nfs/dbraw/zinc/17/97/79/572179779.db2.gz UEFRYGYLIZLECI-SSDOTTSWSA-N 2 2 199.323 1.451 10 0 ADAELP CCCC[N@@H+]1CCC[NH2+][C@@H](CC)C1 82941806 572179868 /nfs/dbraw/zinc/17/98/68/572179868.db2.gz GOBPMUCKOONYHB-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[N@H+]1CCC[NH2+][C@@H](CC)C1 82941806 572179871 /nfs/dbraw/zinc/17/98/71/572179871.db2.gz GOBPMUCKOONYHB-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCC(=O)[C@H](C)[N@H+](C)C1CC[NH2+]CC1 82947610 572180037 /nfs/dbraw/zinc/18/00/37/572180037.db2.gz QFUKTRIRUKIAPQ-VIFPVBQESA-N 2 2 198.310 1.038 10 0 ADAELP CCC(=O)[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 82947610 572180040 /nfs/dbraw/zinc/18/00/40/572180040.db2.gz QFUKTRIRUKIAPQ-VIFPVBQESA-N 2 2 198.310 1.038 10 0 ADAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC[NH3+])o1 37712326 572180177 /nfs/dbraw/zinc/18/01/77/572180177.db2.gz CPRMYEYXNTXZDK-SCZZXKLOSA-N 2 2 194.278 1.451 10 0 ADAELP Cc1nc([C@H](C)[NH2+]CCC[NH3+])cs1 37713675 572180322 /nfs/dbraw/zinc/18/03/22/572180322.db2.gz UEFRYGYLIZLECI-ZETCQYMHSA-N 2 2 199.323 1.451 10 0 ADAELP CCCC[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 82942002 572180393 /nfs/dbraw/zinc/18/03/93/572180393.db2.gz NRTWDKSTYHDIHX-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCCC[N@H+]1CCC[NH2+][C@H](C2CC2)C1 82942002 572180395 /nfs/dbraw/zinc/18/03/95/572180395.db2.gz NRTWDKSTYHDIHX-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1ccc([C@H](C[NH3+])[NH+](C)C)c(C)c1 19259686 572180891 /nfs/dbraw/zinc/18/08/91/572180891.db2.gz BDLCRVFJJXOVJK-LBPRGKRZSA-N 2 2 192.306 1.865 10 0 ADAELP CCC(=O)[C@@H](C)[N@H+](C)C1CC[NH2+]CC1 82947608 572180994 /nfs/dbraw/zinc/18/09/94/572180994.db2.gz QFUKTRIRUKIAPQ-SECBINFHSA-N 2 2 198.310 1.038 10 0 ADAELP CCC(=O)[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 82947608 572181001 /nfs/dbraw/zinc/18/10/01/572181001.db2.gz QFUKTRIRUKIAPQ-SECBINFHSA-N 2 2 198.310 1.038 10 0 ADAELP CCCC[N@@H+]1CCC[NH2+][C@H](CC)C1 82941804 572181488 /nfs/dbraw/zinc/18/14/88/572181488.db2.gz GOBPMUCKOONYHB-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[N@H+]1CCC[NH2+][C@H](CC)C1 82941804 572181490 /nfs/dbraw/zinc/18/14/90/572181490.db2.gz GOBPMUCKOONYHB-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 19272548 572181614 /nfs/dbraw/zinc/18/16/14/572181614.db2.gz RMTPHTFZJYLTFX-VHSXEESVSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 19272548 572181619 /nfs/dbraw/zinc/18/16/19/572181619.db2.gz RMTPHTFZJYLTFX-VHSXEESVSA-N 2 2 170.300 1.597 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])[NH+](C)C)c(C)c1 19259688 572181752 /nfs/dbraw/zinc/18/17/52/572181752.db2.gz BDLCRVFJJXOVJK-GFCCVEGCSA-N 2 2 192.306 1.865 10 0 ADAELP CCCC[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 82942004 572181967 /nfs/dbraw/zinc/18/19/67/572181967.db2.gz NRTWDKSTYHDIHX-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCCC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 82942004 572181968 /nfs/dbraw/zinc/18/19/68/572181968.db2.gz NRTWDKSTYHDIHX-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 19272550 572182046 /nfs/dbraw/zinc/18/20/46/572182046.db2.gz RMTPHTFZJYLTFX-UWVGGRQHSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 19272550 572182048 /nfs/dbraw/zinc/18/20/48/572182048.db2.gz RMTPHTFZJYLTFX-UWVGGRQHSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1ccccc1 19263039 572182178 /nfs/dbraw/zinc/18/21/78/572182178.db2.gz ZQDSNEDXBUXQGA-GFCCVEGCSA-N 2 2 192.306 1.856 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1 19263037 572183742 /nfs/dbraw/zinc/18/37/42/572183742.db2.gz ZQDSNEDXBUXQGA-LBPRGKRZSA-N 2 2 192.306 1.856 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1ccccc1 19263039 572182182 /nfs/dbraw/zinc/18/21/82/572182182.db2.gz ZQDSNEDXBUXQGA-GFCCVEGCSA-N 2 2 192.306 1.856 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1 19263037 572183746 /nfs/dbraw/zinc/18/37/46/572183746.db2.gz ZQDSNEDXBUXQGA-LBPRGKRZSA-N 2 2 192.306 1.856 10 0 ADAELP Cc1[nH+]c2ccccc2n1C[C@H](C)[NH3+] 19264736 572182970 /nfs/dbraw/zinc/18/29/70/572182970.db2.gz DBPGFHGFQVGTIV-QMMMGPOBSA-N 2 2 189.262 1.692 10 0 ADAELP CCC[C@@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82953741 572183860 /nfs/dbraw/zinc/18/38/60/572183860.db2.gz JBZQMDQHBLHRQN-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[C@@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82953741 572183861 /nfs/dbraw/zinc/18/38/61/572183861.db2.gz JBZQMDQHBLHRQN-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[C@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82953742 572183329 /nfs/dbraw/zinc/18/33/29/572183329.db2.gz JBZQMDQHBLHRQN-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[C@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82953742 572183333 /nfs/dbraw/zinc/18/33/33/572183333.db2.gz JBZQMDQHBLHRQN-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1[nH+]c2ccccc2n1C[C@@H](C)[NH3+] 19264734 572183586 /nfs/dbraw/zinc/18/35/86/572183586.db2.gz DBPGFHGFQVGTIV-MRVPVSSYSA-N 2 2 189.262 1.692 10 0 ADAELP C[C@@H]([NH2+]CCC1([NH3+])CC1)C(F)F 398034992 572184886 /nfs/dbraw/zinc/18/48/86/572184886.db2.gz MKLLTESVSBPSIL-ZCFIWIBFSA-N 2 2 178.226 1.111 10 0 ADAELP CC[C@@H](C)[C@H]1C[NH2+][C@@](C)(CC)C[NH2+]1 82960867 572185064 /nfs/dbraw/zinc/18/50/64/572185064.db2.gz GHCAAGAXGHRALY-MXWKQRLJSA-N 2 2 184.327 1.763 10 0 ADAELP CC[C@@H](C)[C@@H]1C[NH2+][C@@](C)(CC)C[NH2+]1 82960865 572185087 /nfs/dbraw/zinc/18/50/87/572185087.db2.gz GHCAAGAXGHRALY-VWYCJHECSA-N 2 2 184.327 1.763 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1C 83042638 572186166 /nfs/dbraw/zinc/18/61/66/572186166.db2.gz JANPYXAFIOPKHG-IQJOONFLSA-N 2 2 193.294 1.934 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1C 83042632 572186598 /nfs/dbraw/zinc/18/65/98/572186598.db2.gz JANPYXAFIOPKHG-NGZCFLSTSA-N 2 2 193.294 1.934 10 0 ADAELP Cc1ccc(-n2cc[nH+]c2N)c(C)[nH+]1 235882725 572186758 /nfs/dbraw/zinc/18/67/58/572186758.db2.gz ULBVVHGJOHHOSQ-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83044010 572186791 /nfs/dbraw/zinc/18/67/91/572186791.db2.gz QQZFPVDPJJEONA-AXFHLTTASA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83044011 572188015 /nfs/dbraw/zinc/18/80/15/572188015.db2.gz QQZFPVDPJJEONA-GMTAPVOTSA-N 2 2 184.327 1.572 10 0 ADAELP Cc1[nH+]c2ccccc2n1CC(N)=[NH2+] 19502960 572188192 /nfs/dbraw/zinc/18/81/92/572188192.db2.gz QSYLHDOEYBRQDZ-UHFFFAOYSA-N 2 2 188.234 1.281 10 0 ADAELP CCCC[N@H+]1C[C@H](C)[NH2+]C[C@@H](C)C1 249856445 572188887 /nfs/dbraw/zinc/18/88/87/572188887.db2.gz LZAILQFDSITWJS-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[N@@H+]1C[C@H](C)[NH2+]C[C@@H](C)C1 249856445 572188890 /nfs/dbraw/zinc/18/88/90/572188890.db2.gz LZAILQFDSITWJS-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)[C@@H]1C 83046350 572189305 /nfs/dbraw/zinc/18/93/05/572189305.db2.gz LMHMLMPSMGJCMH-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)[C@@H]1C 83046350 572189306 /nfs/dbraw/zinc/18/93/06/572189306.db2.gz LMHMLMPSMGJCMH-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)[C@@H]1C 83046355 572189362 /nfs/dbraw/zinc/18/93/62/572189362.db2.gz LMHMLMPSMGJCMH-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[C@@H]([N@H+]2CCC[NH2+]CC2)[C@@H]1C 83046355 572189364 /nfs/dbraw/zinc/18/93/64/572189364.db2.gz LMHMLMPSMGJCMH-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83048854 572189829 /nfs/dbraw/zinc/18/98/29/572189829.db2.gz JSJRICZBDHWAAF-UTUOFQBUSA-N 2 2 198.354 1.962 10 0 ADAELP CCCC[N@@H+]1CC[C@H](C)[NH2+][C@@H](C)C1 249849712 572190226 /nfs/dbraw/zinc/19/02/26/572190226.db2.gz IRZSQRGRVODEFK-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1CC[C@H](C)[NH2+][C@@H](C)C1 249849712 572190229 /nfs/dbraw/zinc/19/02/29/572190229.db2.gz IRZSQRGRVODEFK-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1C[C@H](C)[NH2+]C[C@@H](C)C1 249863567 572190483 /nfs/dbraw/zinc/19/04/83/572190483.db2.gz AWUSKWSRJJKSFD-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[N@@H+]1C[C@H](C)[NH2+]C[C@@H](C)C1 249863567 572190484 /nfs/dbraw/zinc/19/04/84/572190484.db2.gz AWUSKWSRJJKSFD-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@@H](C1CC1)[N@H+](CC)[C@@H]1CC[NH2+]C1 83057983 572190591 /nfs/dbraw/zinc/19/05/91/572190591.db2.gz OOFISPNVDVZRSK-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+](CC)[C@@H]1CC[NH2+]C1 83057983 572190592 /nfs/dbraw/zinc/19/05/92/572190592.db2.gz OOFISPNVDVZRSK-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@@H+]1C[C@@H](C)C[NH2+][C@@H](C)C1 249863563 572190728 /nfs/dbraw/zinc/19/07/28/572190728.db2.gz AWUSKWSRJJKSFD-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[N@H+]1C[C@@H](C)C[NH2+][C@@H](C)C1 249863563 572190732 /nfs/dbraw/zinc/19/07/32/572190732.db2.gz AWUSKWSRJJKSFD-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83064725 572190791 /nfs/dbraw/zinc/19/07/91/572190791.db2.gz JSJRICZBDHWAAF-WOPDTQHZSA-N 2 2 198.354 1.962 10 0 ADAELP CCCC[N@@H+]1C[C@@H](C)C[NH2+][C@@H](C)C1 249856449 572190824 /nfs/dbraw/zinc/19/08/24/572190824.db2.gz LZAILQFDSITWJS-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[N@H+]1C[C@@H](C)C[NH2+][C@@H](C)C1 249856449 572190826 /nfs/dbraw/zinc/19/08/26/572190826.db2.gz LZAILQFDSITWJS-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)C1 249849709 572190868 /nfs/dbraw/zinc/19/08/68/572190868.db2.gz IRZSQRGRVODEFK-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)C1 249849709 572190869 /nfs/dbraw/zinc/19/08/69/572190869.db2.gz IRZSQRGRVODEFK-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@@H+]1C[C@@H](CC)C[C@@H]([NH3+])C1 249849821 572191550 /nfs/dbraw/zinc/19/15/50/572191550.db2.gz IXHICDOFJISIKB-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP CCCC[N@@H+]1[C@H](C)CC[NH2+]C[C@H]1C 249855566 572191213 /nfs/dbraw/zinc/19/12/13/572191213.db2.gz LOTVVYWXKRNROL-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1[C@H](C)CC[NH2+]C[C@H]1C 249855566 572191217 /nfs/dbraw/zinc/19/12/17/572191217.db2.gz LOTVVYWXKRNROL-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@H+](C)[C@@H]1CC[NH2+]C1 83057981 572191310 /nfs/dbraw/zinc/19/13/10/572191310.db2.gz DESVFAUQWMQDBG-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@H](C1CC1)[N@@H+](C)[C@@H]1CC[NH2+]C1 83057981 572191311 /nfs/dbraw/zinc/19/13/11/572191311.db2.gz DESVFAUQWMQDBG-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]([NH2+]CC[N@H+](C)CC)C1CC1 83056406 572191331 /nfs/dbraw/zinc/19/13/31/572191331.db2.gz HLFNHBIBHKZNDJ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H]([NH2+]CC[N@@H+](C)CC)C1CC1 83056406 572191334 /nfs/dbraw/zinc/19/13/34/572191334.db2.gz HLFNHBIBHKZNDJ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83064730 572191371 /nfs/dbraw/zinc/19/13/71/572191371.db2.gz JSJRICZBDHWAAF-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CCCC[N@H+]1C[C@@H](CC)C[C@@H]([NH3+])C1 249849821 572191547 /nfs/dbraw/zinc/19/15/47/572191547.db2.gz IXHICDOFJISIKB-WDEREUQCSA-N 2 2 184.327 1.846 10 0 ADAELP CSCC[NH2+]CCCn1cc[nH+]c1 70184435 572191810 /nfs/dbraw/zinc/19/18/10/572191810.db2.gz QFEXIYZVCMTCOO-UHFFFAOYSA-N 2 2 199.323 1.226 10 0 ADAELP CC[C@H]([NH2+]CC[N@H+](C)CC)C1CC1 83056403 572192386 /nfs/dbraw/zinc/19/23/86/572192386.db2.gz HLFNHBIBHKZNDJ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[N@H+](Cc1ccoc1)C1CC[NH2+]CC1 43501213 572192092 /nfs/dbraw/zinc/19/20/92/572192092.db2.gz NXESUTQDNWJQRK-UHFFFAOYSA-N 2 2 194.278 1.463 10 0 ADAELP C[N@@H+](Cc1ccoc1)C1CC[NH2+]CC1 43501213 572192093 /nfs/dbraw/zinc/19/20/93/572192093.db2.gz NXESUTQDNWJQRK-UHFFFAOYSA-N 2 2 194.278 1.463 10 0 ADAELP CC[C@H]([NH2+]CC[N@@H+](C)CC)C1CC1 83056403 572192389 /nfs/dbraw/zinc/19/23/89/572192389.db2.gz HLFNHBIBHKZNDJ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+]1CCC[C@H]([NH2+]C)C1 83057952 572192249 /nfs/dbraw/zinc/19/22/49/572192249.db2.gz YMOKWECBODLGSB-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@H+]1CCC[C@H]([NH2+]C)C1 83057952 572192254 /nfs/dbraw/zinc/19/22/54/572192254.db2.gz YMOKWECBODLGSB-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+]CC[N@@H+](C)C1CC1)C1CC1 83056502 572193389 /nfs/dbraw/zinc/19/33/89/572193389.db2.gz GWWDFFNOYZTESZ-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+]CC[N@H+](C)C1CC1)C1CC1 83056500 572192618 /nfs/dbraw/zinc/19/26/18/572192618.db2.gz GWWDFFNOYZTESZ-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+]CC[N@@H+](C)C1CC1)C1CC1 83056500 572192621 /nfs/dbraw/zinc/19/26/21/572192621.db2.gz GWWDFFNOYZTESZ-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@H+](C)[C@@H]1CC[NH2+]C1 83057979 572192670 /nfs/dbraw/zinc/19/26/70/572192670.db2.gz DESVFAUQWMQDBG-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+](C)[C@@H]1CC[NH2+]C1 83057979 572192671 /nfs/dbraw/zinc/19/26/71/572192671.db2.gz DESVFAUQWMQDBG-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C 83064728 572192974 /nfs/dbraw/zinc/19/29/74/572192974.db2.gz JSJRICZBDHWAAF-IJLUTSLNSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C1CC1)[N@H+](C)[C@@H]1CCC[NH2+]C1 83058001 572193214 /nfs/dbraw/zinc/19/32/14/572193214.db2.gz ZLDYFKUKOBDYPW-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@H+](CC)[C@@H]1CC[NH2+]C1 83057986 572193150 /nfs/dbraw/zinc/19/31/50/572193150.db2.gz OOFISPNVDVZRSK-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@@H+](CC)[C@@H]1CC[NH2+]C1 83057986 572193153 /nfs/dbraw/zinc/19/31/53/572193153.db2.gz OOFISPNVDVZRSK-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@H+](C)[C@@H]1CCC[NH2+]C1 83058003 572193157 /nfs/dbraw/zinc/19/31/57/572193157.db2.gz ZLDYFKUKOBDYPW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 83058003 572193159 /nfs/dbraw/zinc/19/31/59/572193159.db2.gz ZLDYFKUKOBDYPW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 83058001 572193217 /nfs/dbraw/zinc/19/32/17/572193217.db2.gz ZLDYFKUKOBDYPW-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+]CC[N@H+](C)C1CC1)C1CC1 83056502 572193386 /nfs/dbraw/zinc/19/33/86/572193386.db2.gz GWWDFFNOYZTESZ-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] 19685455 572193695 /nfs/dbraw/zinc/19/36/95/572193695.db2.gz SQWIZGBURSLZHC-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]1CCCC[N@H+]1CC(C)(C)[NH3+] 19685455 572193697 /nfs/dbraw/zinc/19/36/97/572193697.db2.gz SQWIZGBURSLZHC-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] 19685454 572194534 /nfs/dbraw/zinc/19/45/34/572194534.db2.gz SQWIZGBURSLZHC-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]1CCCC[N@H+]1CC(C)(C)[NH3+] 19685454 572194537 /nfs/dbraw/zinc/19/45/37/572194537.db2.gz SQWIZGBURSLZHC-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@@H+]1CC[C@H](C)[NH2+]C[C@H]1C 249885901 572195031 /nfs/dbraw/zinc/19/50/31/572195031.db2.gz QAYKOQNQFBOSOM-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1CC[C@H](C)[NH2+]C[C@H]1C 249885901 572195035 /nfs/dbraw/zinc/19/50/35/572195035.db2.gz QAYKOQNQFBOSOM-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH+](C)c1ccc(NCC[NH3+])cc1 19732738 572196704 /nfs/dbraw/zinc/19/67/04/572196704.db2.gz GMQGLMGISKEZFK-UHFFFAOYSA-N 2 2 179.267 1.123 10 0 ADAELP CC[C@@]1(C)C[N@@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093128 572195993 /nfs/dbraw/zinc/19/59/93/572195993.db2.gz WHZHXTLCTCALMO-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@]1(C)C[N@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093128 572195995 /nfs/dbraw/zinc/19/59/95/572195995.db2.gz WHZHXTLCTCALMO-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 36169440 572196133 /nfs/dbraw/zinc/19/61/33/572196133.db2.gz LEPQEFRPMAGJBS-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 36169440 572196137 /nfs/dbraw/zinc/19/61/37/572196137.db2.gz LEPQEFRPMAGJBS-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=[NH2+] 43528508 572196473 /nfs/dbraw/zinc/19/64/73/572196473.db2.gz VMIJMUXSPJQUTE-RQJHMYQMSA-N 2 2 157.261 1.041 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=[NH2+] 43528508 572196478 /nfs/dbraw/zinc/19/64/78/572196478.db2.gz VMIJMUXSPJQUTE-RQJHMYQMSA-N 2 2 157.261 1.041 10 0 ADAELP CCC[C@H](C)[N@H+](C)CC(N)=[NH2+] 38722946 572196629 /nfs/dbraw/zinc/19/66/29/572196629.db2.gz WFJZDVUXYLRYNI-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CCC[C@H](C)[N@@H+](C)CC(N)=[NH2+] 38722946 572196631 /nfs/dbraw/zinc/19/66/31/572196631.db2.gz WFJZDVUXYLRYNI-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP Cc1c[nH+]c2c(C[NH3+])cccn12 36243340 572196690 /nfs/dbraw/zinc/19/66/90/572196690.db2.gz XJGXYKAFBTXESU-UHFFFAOYSA-N 2 2 161.208 1.101 10 0 ADAELP CCC[N@H+]1C[C@H](C(C)C)C[C@@H]([NH2+]C)C1 249883557 572197684 /nfs/dbraw/zinc/19/76/84/572197684.db2.gz GCXOKXHCXXEOGO-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@@H+]1C[C@H](C(C)C)C[C@@H]([NH2+]C)C1 249883557 572197686 /nfs/dbraw/zinc/19/76/86/572197686.db2.gz GCXOKXHCXXEOGO-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@H+](C)C(C)C 43545460 572197347 /nfs/dbraw/zinc/19/73/47/572197347.db2.gz XCFJUMARDRYAKY-ZETCQYMHSA-N 2 2 157.261 1.041 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@@H+](C)C(C)C 43545460 572197350 /nfs/dbraw/zinc/19/73/50/572197350.db2.gz XCFJUMARDRYAKY-ZETCQYMHSA-N 2 2 157.261 1.041 10 0 ADAELP CC[N@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 43528495 572197479 /nfs/dbraw/zinc/19/74/79/572197479.db2.gz BDQBAMXGAYKCTN-ZETCQYMHSA-N 2 2 157.261 1.041 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 43528495 572197481 /nfs/dbraw/zinc/19/74/81/572197481.db2.gz BDQBAMXGAYKCTN-ZETCQYMHSA-N 2 2 157.261 1.041 10 0 ADAELP Cc1[nH+]c2c(C[NH3+])cccn2c1C 36243406 572197636 /nfs/dbraw/zinc/19/76/36/572197636.db2.gz OYHBHPDKRKZZPB-UHFFFAOYSA-N 2 2 175.235 1.410 10 0 ADAELP CCC[N@@H+]1C[C@H]([NH2+]C)C[C@H](C(C)C)C1 249883556 572197752 /nfs/dbraw/zinc/19/77/52/572197752.db2.gz GCXOKXHCXXEOGO-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@H+]1C[C@H]([NH2+]C)C[C@H](C(C)C)C1 249883556 572197755 /nfs/dbraw/zinc/19/77/55/572197755.db2.gz GCXOKXHCXXEOGO-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@H+](C)C(C)C 43545461 572197822 /nfs/dbraw/zinc/19/78/22/572197822.db2.gz XCFJUMARDRYAKY-SSDOTTSWSA-N 2 2 157.261 1.041 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@@H+](C)C(C)C 43545461 572197826 /nfs/dbraw/zinc/19/78/26/572197826.db2.gz XCFJUMARDRYAKY-SSDOTTSWSA-N 2 2 157.261 1.041 10 0 ADAELP Cc1ccc2[nH+]c(CCC[NH3+])cn2c1 19765405 572197883 /nfs/dbraw/zinc/19/78/83/572197883.db2.gz CPJYZJQDAFRVDE-UHFFFAOYSA-N 2 2 189.262 1.534 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H](C)C(N)=[NH2+] 43528510 572198182 /nfs/dbraw/zinc/19/81/82/572198182.db2.gz VMIJMUXSPJQUTE-BQBZGAKWSA-N 2 2 157.261 1.041 10 0 ADAELP CCC[C@@H](C)[N@H+](C)CC(N)=[NH2+] 38722943 572198087 /nfs/dbraw/zinc/19/80/87/572198087.db2.gz WFJZDVUXYLRYNI-SSDOTTSWSA-N 2 2 157.261 1.043 10 0 ADAELP CCC[C@@H](C)[N@@H+](C)CC(N)=[NH2+] 38722943 572198089 /nfs/dbraw/zinc/19/80/89/572198089.db2.gz WFJZDVUXYLRYNI-SSDOTTSWSA-N 2 2 157.261 1.043 10 0 ADAELP 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/nfs/dbraw/zinc/19/89/62/572198962.db2.gz ZUUKPLPMJQYYCN-UHFFFAOYSA-N 2 2 189.262 1.534 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+](C)C[C@]1(C)CCC[NH2+]1 70619982 572199105 /nfs/dbraw/zinc/19/91/05/572199105.db2.gz VBQUCUJMDKOSLB-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+](C)C[C@]1(C)CCC[NH2+]1 70619982 572199110 /nfs/dbraw/zinc/19/91/10/572199110.db2.gz VBQUCUJMDKOSLB-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)C[C@]1(C)CCC[NH2+]1 70619984 572199186 /nfs/dbraw/zinc/19/91/86/572199186.db2.gz VBQUCUJMDKOSLB-SRVKXCTJSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)C[C@]1(C)CCC[NH2+]1 70619984 572199189 /nfs/dbraw/zinc/19/91/89/572199189.db2.gz VBQUCUJMDKOSLB-SRVKXCTJSA-N 2 2 196.338 1.716 10 0 ADAELP c1[nH+]c(C2CCC2)[nH]c1C[NH2+]C1CC1 83136759 572200598 /nfs/dbraw/zinc/20/05/98/572200598.db2.gz XHTOBWHVMFSLQU-UHFFFAOYSA-N 2 2 191.278 1.929 10 0 ADAELP [NH3+]Cc1c[nH+]c([C@@H]2Cc3ccccc32)[nH]1 83136732 572200167 /nfs/dbraw/zinc/20/01/67/572200167.db2.gz KXYHTEGBMOBFKX-LLVKDONJSA-N 2 2 199.257 1.556 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(C2CCC2)[nH]1 83136749 572200536 /nfs/dbraw/zinc/20/05/36/572200536.db2.gz PDUDIAKWNHCKOI-UHFFFAOYSA-N 2 2 179.267 1.787 10 0 ADAELP Cc1c[nH+]c([C@@H]2CCC[C@H]([NH3+])C2)[nH]1 39132709 572200760 /nfs/dbraw/zinc/20/07/60/572200760.db2.gz OJCHURBVVOPIIN-BDAKNGLRSA-N 2 2 179.267 1.703 10 0 ADAELP Cc1c[nH+]c([C@H]2CCC[C@@H]([NH3+])C2)[nH]1 39132713 572201132 /nfs/dbraw/zinc/20/11/32/572201132.db2.gz OJCHURBVVOPIIN-DTWKUNHWSA-N 2 2 179.267 1.703 10 0 ADAELP CC(C)(C)C[NH2+]CCc1c[nH]c[nH+]1 83142087 572201196 /nfs/dbraw/zinc/20/11/96/572201196.db2.gz KDXFBNGBXYWGSZ-UHFFFAOYSA-N 2 2 181.283 1.588 10 0 ADAELP CC(C)(C)C[NH2+]CCc1c[nH+]c[nH]1 83142087 572201198 /nfs/dbraw/zinc/20/11/98/572201198.db2.gz KDXFBNGBXYWGSZ-UHFFFAOYSA-N 2 2 181.283 1.588 10 0 ADAELP [NH3+]Cc1c[nH+]c([C@H]2Cc3ccccc32)[nH]1 83136729 572201223 /nfs/dbraw/zinc/20/12/23/572201223.db2.gz KXYHTEGBMOBFKX-NSHDSACASA-N 2 2 199.257 1.556 10 0 ADAELP CC(C)c1cn(CCC[NH3+])c[nH+]1 39104170 572201455 /nfs/dbraw/zinc/20/14/55/572201455.db2.gz RYLNMIPIJQWPRN-UHFFFAOYSA-N 2 2 167.256 1.355 10 0 ADAELP Cc1c[nH+]c([C@@H]2CCC[C@@H]([NH3+])C2)[nH]1 39132712 572201583 /nfs/dbraw/zinc/20/15/83/572201583.db2.gz OJCHURBVVOPIIN-RKDXNWHRSA-N 2 2 179.267 1.703 10 0 ADAELP Cc1cccc2[nH+]c(C[C@@H](C)[NH3+])[nH]c12 43598508 572201933 /nfs/dbraw/zinc/20/19/33/572201933.db2.gz KGDSGBGCEROSPP-MRVPVSSYSA-N 2 2 189.262 1.761 10 0 ADAELP Cc1c[nH+]c([C@H]2CCC[C@H]([NH3+])C2)[nH]1 39132710 572202519 /nfs/dbraw/zinc/20/25/19/572202519.db2.gz OJCHURBVVOPIIN-IUCAKERBSA-N 2 2 179.267 1.703 10 0 ADAELP CCC(CC)C[NH2+]CCc1c[nH]c[nH+]1 83342432 572204757 /nfs/dbraw/zinc/20/47/57/572204757.db2.gz ZDUQDBSDJAKCKG-UHFFFAOYSA-N 2 2 195.310 1.978 10 0 ADAELP CCC(CC)C[NH2+]CCc1c[nH+]c[nH]1 83342432 572204759 /nfs/dbraw/zinc/20/47/59/572204759.db2.gz ZDUQDBSDJAKCKG-UHFFFAOYSA-N 2 2 195.310 1.978 10 0 ADAELP 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/nfs/dbraw/zinc/20/58/00/572205800.db2.gz TUBQNMCPYSGEKC-JTQLQIEISA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)C[NH2+][C@H]1C[NH+]2CCC1CC2 19946306 572205859 /nfs/dbraw/zinc/20/58/59/572205859.db2.gz IAHAHAPDLKRJRQ-NSHDSACASA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)[NH2+][C@@H]1C[NH+]2CCC1CC2 19947146 572205865 /nfs/dbraw/zinc/20/58/65/572205865.db2.gz TUBQNMCPYSGEKC-SNVBAGLBSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 19947043 572206358 /nfs/dbraw/zinc/20/63/58/572206358.db2.gz UQMROUSDASORRN-CMPLNLGQSA-N 2 2 196.338 1.715 10 0 ADAELP CCc1cc(NC[C@@H](C)C[NH3+])nc[nH+]1 83387623 572206500 /nfs/dbraw/zinc/20/65/00/572206500.db2.gz OHDROPFSNBUTMJ-QMMMGPOBSA-N 2 2 194.282 1.046 10 0 ADAELP C[C@H]([NH2+][C@H]1C[NH+]2CCC1CC2)C1CC1 19946840 572206628 /nfs/dbraw/zinc/20/66/28/572206628.db2.gz UOTRECNAIAWHPZ-CABZTGNLSA-N 2 2 194.322 1.469 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1C 83391272 572207179 /nfs/dbraw/zinc/20/71/79/572207179.db2.gz ZOFZUAABSMLRLF-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1C 83391272 572207181 /nfs/dbraw/zinc/20/71/81/572207181.db2.gz ZOFZUAABSMLRLF-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 19948017 572207874 /nfs/dbraw/zinc/20/78/74/572207874.db2.gz RMMVMFFAAQVENY-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 19947048 572207584 /nfs/dbraw/zinc/20/75/84/572207584.db2.gz UQMROUSDASORRN-PWSUYJOCSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 19947053 572207650 /nfs/dbraw/zinc/20/76/50/572207650.db2.gz UQMROUSDASORRN-JQWIXIFHSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 19948021 572207739 /nfs/dbraw/zinc/20/77/39/572207739.db2.gz RMMVMFFAAQVENY-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 19948009 572207766 /nfs/dbraw/zinc/20/77/66/572207766.db2.gz RMMVMFFAAQVENY-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CC1 83391404 572207880 /nfs/dbraw/zinc/20/78/80/572207880.db2.gz PZXMBFYICPOAIJ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CC1 83391404 572207884 /nfs/dbraw/zinc/20/78/84/572207884.db2.gz PZXMBFYICPOAIJ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCc1cc(NC[C@H](C)C[NH3+])nc[nH+]1 83387624 572207955 /nfs/dbraw/zinc/20/79/55/572207955.db2.gz OHDROPFSNBUTMJ-MRVPVSSYSA-N 2 2 194.282 1.046 10 0 ADAELP CC(C)[C@@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 19947039 572208241 /nfs/dbraw/zinc/20/82/41/572208241.db2.gz UQMROUSDASORRN-ZYHUDNBSSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)C1CC1 83391402 572208248 /nfs/dbraw/zinc/20/82/48/572208248.db2.gz PZXMBFYICPOAIJ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)C1CC1 83391402 572208249 /nfs/dbraw/zinc/20/82/49/572208249.db2.gz PZXMBFYICPOAIJ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)CC[NH2+][C@@H]1C[NH+]2CCC1CC2 19946357 572208314 /nfs/dbraw/zinc/20/83/14/572208314.db2.gz XYCCDIQYWLKKGU-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[NH2+][C@@H]1C[NH+]2CCC1CC2 19947920 572208330 /nfs/dbraw/zinc/20/83/30/572208330.db2.gz BLFQYZIPSHFXAE-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)(C[NH3+])OCCCn1cc[nH+]c1 83400918 572209834 /nfs/dbraw/zinc/20/98/34/572209834.db2.gz GZWHUYPAFDSWJI-UHFFFAOYSA-N 2 2 197.282 1.027 10 0 ADAELP C[C@@H]([NH2+]CC[NH3+])c1ccc(O)cc1F 235193857 572211610 /nfs/dbraw/zinc/21/16/10/572211610.db2.gz HQNXGMGRZSFTJZ-SSDOTTSWSA-N 2 2 198.241 1.141 10 0 ADAELP CC(C)[C@@H](C[NH3+])[NH+]1CCSCC1 20257174 572212214 /nfs/dbraw/zinc/21/22/14/572212214.db2.gz RBGOTWKZNNTQSR-SECBINFHSA-N 2 2 188.340 1.019 10 0 ADAELP CC[C@](C)(C[NH3+])[NH+]1CCSCC1 20257129 572212696 /nfs/dbraw/zinc/21/26/96/572212696.db2.gz OGWKKLGWFTYKLY-SECBINFHSA-N 2 2 188.340 1.163 10 0 ADAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])c2nccs2)C1 113099782 572212714 /nfs/dbraw/zinc/21/27/14/572212714.db2.gz PKRZZXPPFILWSB-JGVFFNPUSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2nccs2)C1 113099782 572212717 /nfs/dbraw/zinc/21/27/17/572212717.db2.gz PKRZZXPPFILWSB-JGVFFNPUSA-N 2 2 197.307 1.095 10 0 ADAELP CC[C@@](C)(C[NH3+])[NH+]1CCSCC1 20257128 572212868 /nfs/dbraw/zinc/21/28/68/572212868.db2.gz OGWKKLGWFTYKLY-VIFPVBQESA-N 2 2 188.340 1.163 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2nccs2)C1 113099784 572213140 /nfs/dbraw/zinc/21/31/40/572213140.db2.gz PKRZZXPPFILWSB-HTQZYQBOSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2nccs2)C1 113099784 572213143 /nfs/dbraw/zinc/21/31/43/572213143.db2.gz PKRZZXPPFILWSB-HTQZYQBOSA-N 2 2 197.307 1.095 10 0 ADAELP C[NH+](C)CC[C@@H]([NH3+])c1cccs1 20274130 572216008 /nfs/dbraw/zinc/21/60/08/572216008.db2.gz PPOFJNHBBGUKLF-MRVPVSSYSA-N 2 2 184.308 1.700 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1CCCC[C@H]1C 43809991 572216229 /nfs/dbraw/zinc/21/62/29/572216229.db2.gz ZLXSKKYDPFXEBQ-MXWKQRLJSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1CCCC[C@H]1C 43809991 572216232 /nfs/dbraw/zinc/21/62/32/572216232.db2.gz ZLXSKKYDPFXEBQ-MXWKQRLJSA-N 2 2 184.327 1.857 10 0 ADAELP CC[NH2+][C@H](CC)[C@H](C)[NH+](C)C 43816028 572217075 /nfs/dbraw/zinc/21/70/75/572217075.db2.gz MPGQEBFCDPVTMI-DTWKUNHWSA-N 2 2 158.289 1.325 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(CCCOC)[nH]1 83440923 572218157 /nfs/dbraw/zinc/21/81/57/572218157.db2.gz GSZDCBSPMCPZFB-UHFFFAOYSA-N 2 2 197.282 1.098 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1CCCC[C@@H]1C 43809993 572218200 /nfs/dbraw/zinc/21/82/00/572218200.db2.gz ZLXSKKYDPFXEBQ-AXFHLTTASA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1CCCC[C@@H]1C 43809993 572218203 /nfs/dbraw/zinc/21/82/03/572218203.db2.gz ZLXSKKYDPFXEBQ-AXFHLTTASA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 43804854 572218320 /nfs/dbraw/zinc/21/83/20/572218320.db2.gz VKADBSIRTBLRKV-KKOKHZNYSA-N 2 2 198.354 1.961 10 0 ADAELP CCCCCC[NH2+]CC[NH+](C)C 20361053 572218460 /nfs/dbraw/zinc/21/84/60/572218460.db2.gz BOTBDBFBXDILAR-UHFFFAOYSA-N 2 2 172.316 1.718 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 43804851 572218506 /nfs/dbraw/zinc/21/85/06/572218506.db2.gz VKADBSIRTBLRKV-YFKTTZPYSA-N 2 2 198.354 1.961 10 0 ADAELP C[N@@H+]1CCCc2ccccc2[C@H]1C[NH3+] 20418122 572218633 /nfs/dbraw/zinc/21/86/33/572218633.db2.gz NMPIPVQNGZLFDC-GFCCVEGCSA-N 2 2 190.290 1.564 10 0 ADAELP C[N@H+]1CCCc2ccccc2[C@H]1C[NH3+] 20418122 572218636 /nfs/dbraw/zinc/21/86/36/572218636.db2.gz NMPIPVQNGZLFDC-GFCCVEGCSA-N 2 2 190.290 1.564 10 0 ADAELP C[N@@H+]1CCCc2ccccc2[C@@H]1C[NH3+] 20418120 572219623 /nfs/dbraw/zinc/21/96/23/572219623.db2.gz NMPIPVQNGZLFDC-LBPRGKRZSA-N 2 2 190.290 1.564 10 0 ADAELP C[N@H+]1CCCc2ccccc2[C@@H]1C[NH3+] 20418120 572219625 /nfs/dbraw/zinc/21/96/25/572219625.db2.gz NMPIPVQNGZLFDC-LBPRGKRZSA-N 2 2 190.290 1.564 10 0 ADAELP CC[C@H](C)[C@@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 207388913 572219827 /nfs/dbraw/zinc/21/98/27/572219827.db2.gz JMQDRGNCGUJLPY-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@H](C)[C@@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 207388913 572219830 /nfs/dbraw/zinc/21/98/30/572219830.db2.gz JMQDRGNCGUJLPY-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 36785119 572220681 /nfs/dbraw/zinc/22/06/81/572220681.db2.gz GWOCFFRHMGDPAR-ADEWGFFLSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H](C1CC1)[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 36785119 572220679 /nfs/dbraw/zinc/22/06/79/572220679.db2.gz GWOCFFRHMGDPAR-ADEWGFFLSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[NH2+]C1 36787484 572220945 /nfs/dbraw/zinc/22/09/45/572220945.db2.gz FYBLSEJJQATYNE-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 36787484 572220947 /nfs/dbraw/zinc/22/09/47/572220947.db2.gz FYBLSEJJQATYNE-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 43816410 572221076 /nfs/dbraw/zinc/22/10/76/572221076.db2.gz AOSCTQUMODEAIU-NSHDSACASA-N 2 2 192.306 1.726 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 43816410 572221078 /nfs/dbraw/zinc/22/10/78/572221078.db2.gz AOSCTQUMODEAIU-NSHDSACASA-N 2 2 192.306 1.726 10 0 ADAELP CC[C@H]1CC[N@H+](CC2(C)CC2)CC[NH2+]1 234110415 572221183 /nfs/dbraw/zinc/22/11/83/572221183.db2.gz JYYFTOSAOQWGAT-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CC[N@@H+](CC2(C)CC2)CC[NH2+]1 234110415 572221187 /nfs/dbraw/zinc/22/11/87/572221187.db2.gz JYYFTOSAOQWGAT-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[C@@H](C)[N@H+](C)[C@@H]1CCC[NH2+]C1 36787483 572221335 /nfs/dbraw/zinc/22/13/35/572221335.db2.gz FYBLSEJJQATYNE-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 36787483 572221337 /nfs/dbraw/zinc/22/13/37/572221337.db2.gz FYBLSEJJQATYNE-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H]1C[N@H+](CC2(C)CC2)CCC[NH2+]1 234117101 572221961 /nfs/dbraw/zinc/22/19/61/572221961.db2.gz CDCBMPDKCXDOCN-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1C[N@@H+](CC2(C)CC2)CCC[NH2+]1 234117101 572221966 /nfs/dbraw/zinc/22/19/66/572221966.db2.gz CDCBMPDKCXDOCN-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(OC)c(F)c1 83445775 572222154 /nfs/dbraw/zinc/22/21/54/572222154.db2.gz SCWISAXGGJBIHY-VIFPVBQESA-N 2 2 198.241 1.054 10 0 ADAELP C[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 43816411 572222185 /nfs/dbraw/zinc/22/21/85/572222185.db2.gz AOSCTQUMODEAIU-LLVKDONJSA-N 2 2 192.306 1.726 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 43816411 572222188 /nfs/dbraw/zinc/22/21/88/572222188.db2.gz AOSCTQUMODEAIU-LLVKDONJSA-N 2 2 192.306 1.726 10 0 ADAELP C[C@H](C1CC1)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36785211 572222303 /nfs/dbraw/zinc/22/23/03/572222303.db2.gz UYGFERHPXMSJLO-DVVUODLYSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 36785211 572222306 /nfs/dbraw/zinc/22/23/06/572222306.db2.gz UYGFERHPXMSJLO-DVVUODLYSA-N 2 2 182.311 1.597 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(OC)c(F)c1 83445778 572222412 /nfs/dbraw/zinc/22/24/12/572222412.db2.gz SCWISAXGGJBIHY-SECBINFHSA-N 2 2 198.241 1.054 10 0 ADAELP C[C@H]([NH3+])c1nc(C[NH+](C)C)cs1 20439929 572222790 /nfs/dbraw/zinc/22/27/90/572222790.db2.gz BULLFMIQECLYLD-LURJTMIESA-N 2 2 185.296 1.224 10 0 ADAELP C1CC1C[NH2+][C@@H]1C[NH+]2CCC1CC2 20440260 572223240 /nfs/dbraw/zinc/22/32/40/572223240.db2.gz HBJFXQPWNMKFAB-LLVKDONJSA-N 2 2 180.295 1.080 10 0 ADAELP C[C@@H]([NH3+])c1nc(C[NH+](C)C)cs1 20439924 572223377 /nfs/dbraw/zinc/22/33/77/572223377.db2.gz BULLFMIQECLYLD-ZCFIWIBFSA-N 2 2 185.296 1.224 10 0 ADAELP C1CC1C[NH2+][C@H]1C[NH+]2CCC1CC2 20440263 572223450 /nfs/dbraw/zinc/22/34/50/572223450.db2.gz HBJFXQPWNMKFAB-NSHDSACASA-N 2 2 180.295 1.080 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 36809783 572225379 /nfs/dbraw/zinc/22/53/79/572225379.db2.gz ANUNBCBDUWKGEI-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 36809783 572225380 /nfs/dbraw/zinc/22/53/80/572225380.db2.gz ANUNBCBDUWKGEI-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C/C=C\CC[NH2+][C@H]1CC[N@H+](C)C1 393365220 572225421 /nfs/dbraw/zinc/22/54/21/572225421.db2.gz BZROARFCMRUKCV-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\CC[NH2+][C@H]1CC[N@@H+](C)C1 393365220 572225422 /nfs/dbraw/zinc/22/54/22/572225422.db2.gz BZROARFCMRUKCV-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@H]([NH+]2CCCCC2)C1 36879118 572227222 /nfs/dbraw/zinc/22/72/22/572227222.db2.gz QFLFGXYZISVOAV-IJLUTSLNSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)CC1CC1 43905483 572225756 /nfs/dbraw/zinc/22/57/56/572225756.db2.gz YENPHFHMXFUOJI-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)CC1CC1 43905483 572225760 /nfs/dbraw/zinc/22/57/60/572225760.db2.gz YENPHFHMXFUOJI-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@H]2CCCC[C@@H]21 36826662 572226079 /nfs/dbraw/zinc/22/60/79/572226079.db2.gz IJIYFVIQPNAADZ-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCC[C@H]2CCCC[C@@H]21 36826662 572226082 /nfs/dbraw/zinc/22/60/82/572226082.db2.gz IJIYFVIQPNAADZ-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+]CC[N@H+](C)CC[C@@H]1C[C@@H]1C1CC1 711986311 572226697 /nfs/dbraw/zinc/22/66/97/572226697.db2.gz HIPVCXQUNBSONO-VXGBXAGGSA-N 2 2 196.338 1.574 10 0 ADAELP C[NH2+]CC[N@@H+](C)CC[C@@H]1C[C@@H]1C1CC1 711986311 572226700 /nfs/dbraw/zinc/22/67/00/572226700.db2.gz HIPVCXQUNBSONO-VXGBXAGGSA-N 2 2 196.338 1.574 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1CCCCCCC1 36872022 572227003 /nfs/dbraw/zinc/22/70/03/572227003.db2.gz LVUPFHNEJKYUMQ-LLVKDONJSA-N 2 2 184.327 1.990 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@H](C)C1 36875145 572227540 /nfs/dbraw/zinc/22/75/40/572227540.db2.gz RGYPWGXQOWJAMQ-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@H](C)C1 36875145 572227544 /nfs/dbraw/zinc/22/75/44/572227544.db2.gz RGYPWGXQOWJAMQ-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH2+]C1(C[NH3+])CC1)c1ccccc1 235202523 572227895 /nfs/dbraw/zinc/22/78/95/572227895.db2.gz LTYIDIWSRBLZDH-SNVBAGLBSA-N 2 2 190.290 1.829 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC[C@H](C)C1 36875143 572228164 /nfs/dbraw/zinc/22/81/64/572228164.db2.gz RGYPWGXQOWJAMQ-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCC[C@H](C)C1 36875143 572228168 /nfs/dbraw/zinc/22/81/68/572228168.db2.gz RGYPWGXQOWJAMQ-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1CCCCCCC1 36872021 572228380 /nfs/dbraw/zinc/22/83/80/572228380.db2.gz LVUPFHNEJKYUMQ-NSHDSACASA-N 2 2 184.327 1.990 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([NH+]2CCCCC2)C1 36879114 572228624 /nfs/dbraw/zinc/22/86/24/572228624.db2.gz QFLFGXYZISVOAV-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1[C@@H](C)CCC[C@@H]1C 36872004 572229176 /nfs/dbraw/zinc/22/91/76/572229176.db2.gz PDSAROPFAGXNGP-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1[C@@H](C)CCC[C@H]1C 36872002 572229379 /nfs/dbraw/zinc/22/93/79/572229379.db2.gz PDSAROPFAGXNGP-OUAUKWLOSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1[C@@H](C)CCC[C@H]1C 36872002 572229381 /nfs/dbraw/zinc/22/93/81/572229381.db2.gz PDSAROPFAGXNGP-OUAUKWLOSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1[C@@H](C)CCC[C@H]1C 36872001 572229507 /nfs/dbraw/zinc/22/95/07/572229507.db2.gz PDSAROPFAGXNGP-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1[C@@H](C)CCC[C@H]1C 36872001 572229511 /nfs/dbraw/zinc/22/95/11/572229511.db2.gz PDSAROPFAGXNGP-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP Cc1cc([NH3+])ccc1NCC[NH+](C)C 36950102 572232210 /nfs/dbraw/zinc/23/22/10/572232210.db2.gz WTZLICLVEFWXIK-UHFFFAOYSA-N 2 2 193.294 1.551 10 0 ADAELP CC[NH2+][C@@H](C)[C@@H](C)n1cc[nH+]c1 43992580 572232668 /nfs/dbraw/zinc/23/26/68/572232668.db2.gz RKSALCPZGDKWEU-DTWKUNHWSA-N 2 2 167.256 1.442 10 0 ADAELP CCC[NH2+][C@@H](C)[C@@H](C)n1cc[nH+]c1 43992450 572233166 /nfs/dbraw/zinc/23/31/66/572233166.db2.gz DJOQBKGSQMVSQM-VHSXEESVSA-N 2 2 181.283 1.832 10 0 ADAELP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cc[nH+]c1 43993093 572233575 /nfs/dbraw/zinc/23/35/75/572233575.db2.gz XUUIZEVUNFUJQN-HBNTYKKESA-N 2 2 193.294 1.832 10 0 ADAELP CC[C@H](CC[NH3+])n1cc[nH+]c1 36986812 572233652 /nfs/dbraw/zinc/23/36/52/572233652.db2.gz LZKZLANPWMRIMR-MRVPVSSYSA-N 2 2 153.229 1.183 10 0 ADAELP CC[C@@H](CC[NH3+])n1cc[nH+]c1 36986811 572233705 /nfs/dbraw/zinc/23/37/05/572233705.db2.gz LZKZLANPWMRIMR-QMMMGPOBSA-N 2 2 153.229 1.183 10 0 ADAELP C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cc[nH+]c1 43993091 572234156 /nfs/dbraw/zinc/23/41/56/572234156.db2.gz XUUIZEVUNFUJQN-GMTAPVOTSA-N 2 2 193.294 1.832 10 0 ADAELP CCCC[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584766 572236572 /nfs/dbraw/zinc/23/65/72/572236572.db2.gz YGXCTDQVHAKGOE-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H](CC1CC1)[N@@H+]1CCC[NH2+]CC1 70534084 572235627 /nfs/dbraw/zinc/23/56/27/572235627.db2.gz HZIDMXYIKRZGKX-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](CC1CC1)[N@H+]1CCC[NH2+]CC1 70534084 572235630 /nfs/dbraw/zinc/23/56/30/572235630.db2.gz HZIDMXYIKRZGKX-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H](CC1CC1)[N@@H+]1CCC[NH2+]CC1 70534085 572235873 /nfs/dbraw/zinc/23/58/73/572235873.db2.gz HZIDMXYIKRZGKX-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H](CC1CC1)[N@H+]1CCC[NH2+]CC1 70534085 572235874 /nfs/dbraw/zinc/23/58/74/572235874.db2.gz HZIDMXYIKRZGKX-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[C@@H]1[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585432 572236506 /nfs/dbraw/zinc/23/65/06/572236506.db2.gz HBFWWMHDLKYANA-DLOVCJGASA-N 2 2 194.322 1.611 10 0 ADAELP C[C@H]1C[C@@H]1[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585432 572236509 /nfs/dbraw/zinc/23/65/09/572236509.db2.gz HBFWWMHDLKYANA-DLOVCJGASA-N 2 2 194.322 1.611 10 0 ADAELP CCCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584766 572236570 /nfs/dbraw/zinc/23/65/70/572236570.db2.gz YGXCTDQVHAKGOE-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP C1CC1C[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70584679 572237000 /nfs/dbraw/zinc/23/70/00/572237000.db2.gz ZOFSNESYBNVRRY-NSHDSACASA-N 2 2 180.295 1.223 10 0 ADAELP C1CC1C[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70584679 572237001 /nfs/dbraw/zinc/23/70/01/572237001.db2.gz ZOFSNESYBNVRRY-NSHDSACASA-N 2 2 180.295 1.223 10 0 ADAELP CC(C)C[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584380 572236812 /nfs/dbraw/zinc/23/68/12/572236812.db2.gz HDANLFWYNAFFMD-LLVKDONJSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)C[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584380 572236817 /nfs/dbraw/zinc/23/68/17/572236817.db2.gz HDANLFWYNAFFMD-LLVKDONJSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 70584417 572236886 /nfs/dbraw/zinc/23/68/86/572236886.db2.gz KPSJMROGKBZXOL-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 70584417 572236890 /nfs/dbraw/zinc/23/68/90/572236890.db2.gz KPSJMROGKBZXOL-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H](CC1CC1)[N@@H+]1CCC[C@H]([NH3+])C1 70585640 572236957 /nfs/dbraw/zinc/23/69/57/572236957.db2.gz FIJJCSBLYSVXCC-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H](CC1CC1)[N@H+]1CCC[C@H]([NH3+])C1 70585640 572236960 /nfs/dbraw/zinc/23/69/60/572236960.db2.gz FIJJCSBLYSVXCC-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+](CCSC)C1 70585497 572237174 /nfs/dbraw/zinc/23/71/74/572237174.db2.gz MTUXYZFDHYDCEN-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](CCSC)C1 70585497 572237175 /nfs/dbraw/zinc/23/71/75/572237175.db2.gz MTUXYZFDHYDCEN-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)C1 70585412 572237230 /nfs/dbraw/zinc/23/72/30/572237230.db2.gz PCIHKEJRXKRMTC-GARJFASQSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+]([C@@H]2C[C@@H]2C)C1 70585412 572237234 /nfs/dbraw/zinc/23/72/34/572237234.db2.gz PCIHKEJRXKRMTC-GARJFASQSA-N 2 2 182.311 1.467 10 0 ADAELP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584414 572237516 /nfs/dbraw/zinc/23/75/16/572237516.db2.gz AJXRROOJTFPMAB-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP CC[NH2+][C@H]1CCC[N@@H+]([C@@H]2C[C@@H]2C)C1 70585408 572237940 /nfs/dbraw/zinc/23/79/40/572237940.db2.gz FDIJUWVRRABPJJ-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70584379 572237329 /nfs/dbraw/zinc/23/73/29/572237329.db2.gz HDANLFWYNAFFMD-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70584379 572237330 /nfs/dbraw/zinc/23/73/30/572237330.db2.gz HDANLFWYNAFFMD-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP CCC[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584414 572237518 /nfs/dbraw/zinc/23/75/18/572237518.db2.gz AJXRROOJTFPMAB-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70584301 572237413 /nfs/dbraw/zinc/23/74/13/572237413.db2.gz UVILXZQXEICOOF-ONGXEEELSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70584301 572237416 /nfs/dbraw/zinc/23/74/16/572237416.db2.gz UVILXZQXEICOOF-ONGXEEELSA-N 2 2 182.311 1.611 10 0 ADAELP CCC[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70584413 572237492 /nfs/dbraw/zinc/23/74/92/572237492.db2.gz AJXRROOJTFPMAB-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP CCC[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70584413 572237493 /nfs/dbraw/zinc/23/74/93/572237493.db2.gz AJXRROOJTFPMAB-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP CC[NH2+][C@H]1CCC[N@H+]([C@@H]2C[C@@H]2C)C1 70585408 572237943 /nfs/dbraw/zinc/23/79/43/572237943.db2.gz FDIJUWVRRABPJJ-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H]1[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585418 572237640 /nfs/dbraw/zinc/23/76/40/572237640.db2.gz MVFAKBMNXPARJY-LSJOCFKGSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@H]1C[C@@H]1[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585418 572237642 /nfs/dbraw/zinc/23/76/42/572237642.db2.gz MVFAKBMNXPARJY-LSJOCFKGSA-N 2 2 180.295 1.221 10 0 ADAELP CC[C@H](CC1CC1)[N@@H+]1CCC[C@H]([NH3+])C1 70585641 572237657 /nfs/dbraw/zinc/23/76/57/572237657.db2.gz FIJJCSBLYSVXCC-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@H](CC1CC1)[N@H+]1CCC[C@H]([NH3+])C1 70585641 572237660 /nfs/dbraw/zinc/23/76/60/572237660.db2.gz FIJJCSBLYSVXCC-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP CCCC[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584763 572237740 /nfs/dbraw/zinc/23/77/40/572237740.db2.gz BXRBEDHOMNDAGK-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584763 572237744 /nfs/dbraw/zinc/23/77/44/572237744.db2.gz BXRBEDHOMNDAGK-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@@H]2C[C@@H]2C)C1 70585424 572237826 /nfs/dbraw/zinc/23/78/26/572237826.db2.gz AWVOZKCMTADZQJ-SDDRHHMPSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[NH2+][C@H]1CCC[N@H+]([C@@H]2C[C@@H]2C)C1 70585424 572237830 /nfs/dbraw/zinc/23/78/30/572237830.db2.gz AWVOZKCMTADZQJ-SDDRHHMPSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@H]1[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585434 572237894 /nfs/dbraw/zinc/23/78/94/572237894.db2.gz HBFWWMHDLKYANA-ZMLRMANQSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@H]1C[C@H]1[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585434 572237896 /nfs/dbraw/zinc/23/78/96/572237896.db2.gz HBFWWMHDLKYANA-ZMLRMANQSA-N 2 2 194.322 1.611 10 0 ADAELP CCC[C@@H](CC)[N@@H+]1CCC[C@H]([NH3+])C1 70585236 572237958 /nfs/dbraw/zinc/23/79/58/572237958.db2.gz CWWAZGUYCYANAB-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[C@@H](CC)[N@H+]1CCC[C@H]([NH3+])C1 70585236 572237960 /nfs/dbraw/zinc/23/79/60/572237960.db2.gz CWWAZGUYCYANAB-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@H+](CC2CC2)C1 70584683 572237962 /nfs/dbraw/zinc/23/79/62/572237962.db2.gz MYGQCFIGZIPKEB-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@@H+](CC2CC2)C1 70584683 572237964 /nfs/dbraw/zinc/23/79/64/572237964.db2.gz MYGQCFIGZIPKEB-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)CC[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70584777 572237988 /nfs/dbraw/zinc/23/79/88/572237988.db2.gz YDMPTXLOALAADG-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)CC[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70584777 572237991 /nfs/dbraw/zinc/23/79/91/572237991.db2.gz YDMPTXLOALAADG-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2C)C1 70585579 572238051 /nfs/dbraw/zinc/23/80/51/572238051.db2.gz VJBDKPVSQBCYHS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2C)C1 70585579 572238053 /nfs/dbraw/zinc/23/80/53/572238053.db2.gz VJBDKPVSQBCYHS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 37910648 572238118 /nfs/dbraw/zinc/23/81/18/572238118.db2.gz OPAZRKVSYZFIRL-LPEHRKFASA-N 2 2 168.284 1.351 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 37910648 572238121 /nfs/dbraw/zinc/23/81/21/572238121.db2.gz OPAZRKVSYZFIRL-LPEHRKFASA-N 2 2 168.284 1.351 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@H+](CC2CC2)C1 70584684 572238351 /nfs/dbraw/zinc/23/83/51/572238351.db2.gz MYGQCFIGZIPKEB-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@@H+](CC2CC2)C1 70584684 572238352 /nfs/dbraw/zinc/23/83/52/572238352.db2.gz MYGQCFIGZIPKEB-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2C)C1 70585425 572238360 /nfs/dbraw/zinc/23/83/60/572238360.db2.gz LSXNAKBWJRWFHS-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2C)C1 70585425 572238361 /nfs/dbraw/zinc/23/83/61/572238361.db2.gz LSXNAKBWJRWFHS-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@H+](CCC)C1 70584415 572238390 /nfs/dbraw/zinc/23/83/90/572238390.db2.gz DOTMHVPWFSNJHO-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@@H+](CCC)C1 70584415 572238392 /nfs/dbraw/zinc/23/83/92/572238392.db2.gz DOTMHVPWFSNJHO-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[N@H+]1CCC[C@@H]([NH2+]CC)C1 70584410 572238752 /nfs/dbraw/zinc/23/87/52/572238752.db2.gz UQHPHHQFHDBMRW-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC[C@H]1CCC[N@@H+]1C[C@H]([NH3+])C(C)C 37914188 572238580 /nfs/dbraw/zinc/23/85/80/572238580.db2.gz RJBLQNKQOJLZJO-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]1CCC[N@H+]1C[C@H]([NH3+])C(C)C 37914188 572238582 /nfs/dbraw/zinc/23/85/82/572238582.db2.gz RJBLQNKQOJLZJO-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[C@H]1[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585420 572238591 /nfs/dbraw/zinc/23/85/91/572238591.db2.gz MVFAKBMNXPARJY-INTQDDNPSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@H]1C[C@H]1[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585420 572238602 /nfs/dbraw/zinc/23/86/02/572238602.db2.gz MVFAKBMNXPARJY-INTQDDNPSA-N 2 2 180.295 1.221 10 0 ADAELP CCCC[N@@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584764 572238654 /nfs/dbraw/zinc/23/86/54/572238654.db2.gz BXRBEDHOMNDAGK-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584764 572238656 /nfs/dbraw/zinc/23/86/56/572238656.db2.gz BXRBEDHOMNDAGK-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H]2C[C@@H]2C)C1 70585430 572238721 /nfs/dbraw/zinc/23/87/21/572238721.db2.gz RYZDWVZHLXPXTO-LPEHRKFASA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+]([C@@H]2C[C@@H]2C)C1 70585430 572238723 /nfs/dbraw/zinc/23/87/23/572238723.db2.gz RYZDWVZHLXPXTO-LPEHRKFASA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)CC[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584778 572238728 /nfs/dbraw/zinc/23/87/28/572238728.db2.gz YDMPTXLOALAADG-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)CC[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584778 572238731 /nfs/dbraw/zinc/23/87/31/572238731.db2.gz YDMPTXLOALAADG-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@@H+]1CCC[C@@H]([NH2+]CC)C1 70584410 572238750 /nfs/dbraw/zinc/23/87/50/572238750.db2.gz UQHPHHQFHDBMRW-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])C(C)C 37914187 572238771 /nfs/dbraw/zinc/23/87/71/572238771.db2.gz RJBLQNKQOJLZJO-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@H]([NH3+])C(C)C 37914187 572238773 /nfs/dbraw/zinc/23/87/73/572238773.db2.gz RJBLQNKQOJLZJO-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](CC)[N@@H+]1CCC[C@H]([NH3+])C1 70585237 572238811 /nfs/dbraw/zinc/23/88/11/572238811.db2.gz CWWAZGUYCYANAB-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[C@H](CC)[N@H+]1CCC[C@H]([NH3+])C1 70585237 572238813 /nfs/dbraw/zinc/23/88/13/572238813.db2.gz CWWAZGUYCYANAB-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@@H+](C2CC2)C1 70584369 572238894 /nfs/dbraw/zinc/23/88/94/572238894.db2.gz IGVZPPOGGSJECM-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@H+](C2CC2)C1 70584369 572238896 /nfs/dbraw/zinc/23/88/96/572238896.db2.gz IGVZPPOGGSJECM-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C 37911218 572239202 /nfs/dbraw/zinc/23/92/02/572239202.db2.gz FKWAKDSKKYKSIG-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C 37911218 572239203 /nfs/dbraw/zinc/23/92/03/572239203.db2.gz FKWAKDSKKYKSIG-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+](C)[C@H](C)C(C)C 43895472 572239239 /nfs/dbraw/zinc/23/92/39/572239239.db2.gz NHMYTADDDOQTIO-MXWKQRLJSA-N 2 2 186.343 1.959 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)[C@H](C)C(C)C 43895472 572239241 /nfs/dbraw/zinc/23/92/41/572239241.db2.gz NHMYTADDDOQTIO-MXWKQRLJSA-N 2 2 186.343 1.959 10 0 ADAELP CC[C@H]1CCC[N@@H+]1C[C@](C)([NH3+])C1CC1 37914224 572239459 /nfs/dbraw/zinc/23/94/59/572239459.db2.gz XLHPGDPGLSLYRT-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@H]1CCC[N@H+]1C[C@](C)([NH3+])C1CC1 37914224 572239463 /nfs/dbraw/zinc/23/94/63/572239463.db2.gz XLHPGDPGLSLYRT-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+](CC(C)C)[C@@H]1C1CC1 712024708 572240319 /nfs/dbraw/zinc/24/03/19/572240319.db2.gz WRLKJQNGNOIMFJ-VXGBXAGGSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@@H]1C1CC1 712024708 572240320 /nfs/dbraw/zinc/24/03/20/572240320.db2.gz WRLKJQNGNOIMFJ-VXGBXAGGSA-N 2 2 196.338 1.715 10 0 ADAELP CC[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 43805002 572241980 /nfs/dbraw/zinc/24/19/80/572241980.db2.gz DRQBFRLOQLWAJU-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@H]1CC[N@H+](CC(C)C)[C@H]1C1CC1 712024707 572242000 /nfs/dbraw/zinc/24/20/00/572242000.db2.gz WRLKJQNGNOIMFJ-RYUDHWBXSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+](CC(C)C)[C@H]1C1CC1 712024707 572242002 /nfs/dbraw/zinc/24/20/02/572242002.db2.gz WRLKJQNGNOIMFJ-RYUDHWBXSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+](C)CC1CC1 37925392 572243815 /nfs/dbraw/zinc/24/38/15/572243815.db2.gz CHILZFJMFNQZJB-WPRPVWTQSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)CC1CC1 37925392 572243816 /nfs/dbraw/zinc/24/38/16/572243816.db2.gz CHILZFJMFNQZJB-WPRPVWTQSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)CC1CC1 37925390 572244270 /nfs/dbraw/zinc/24/42/70/572244270.db2.gz CHILZFJMFNQZJB-SCZZXKLOSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)CC1CC1 37925390 572244271 /nfs/dbraw/zinc/24/42/71/572244271.db2.gz CHILZFJMFNQZJB-SCZZXKLOSA-N 2 2 170.300 1.454 10 0 ADAELP CC(C)C[NH2+]C[C@@H](C)[NH+]1CCCC1 47889507 572246515 /nfs/dbraw/zinc/24/65/15/572246515.db2.gz WXSGIEIRFXJHGC-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH2+]C[C@H](C(C)C)[NH+](CC)CC 47944624 572246770 /nfs/dbraw/zinc/24/67/70/572246770.db2.gz RUHRTOXQSZJTEG-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP Cc1ccc(NCC[NH+](C)C)[nH+]c1 21514040 572247836 /nfs/dbraw/zinc/24/78/36/572247836.db2.gz RVUOTYXJSZHOKS-UHFFFAOYSA-N 2 2 179.267 1.364 10 0 ADAELP CC[NH2+]C[C@@H](C(C)C)[NH+](CC)CC 47944622 572248000 /nfs/dbraw/zinc/24/80/00/572248000.db2.gz RUHRTOXQSZJTEG-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP CC(C)C[NH2+]C[C@H](C)[NH+]1CCCC1 47889510 572248186 /nfs/dbraw/zinc/24/81/86/572248186.db2.gz WXSGIEIRFXJHGC-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H]([NH3+])Cc1cc[nH+]c(C)c1 687714726 572250146 /nfs/dbraw/zinc/25/01/46/572250146.db2.gz DWOUURDUYCAENZ-JTQLQIEISA-N 2 2 164.252 1.670 10 0 ADAELP CC[C@@H]([NH3+])Cc1cc[nH+]c(C)c1 687714727 572250548 /nfs/dbraw/zinc/25/05/48/572250548.db2.gz DWOUURDUYCAENZ-SNVBAGLBSA-N 2 2 164.252 1.670 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@H]1CC1(C)C 234400098 572252287 /nfs/dbraw/zinc/25/22/87/572252287.db2.gz VHAXYERPTPITAG-BDAKNGLRSA-N 2 2 193.294 1.586 10 0 ADAELP CC[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH2+]C 50166233 572252469 /nfs/dbraw/zinc/25/24/69/572252469.db2.gz MENLDPSEWQROOU-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@@H]1CC1(C)C 234400005 572252695 /nfs/dbraw/zinc/25/26/95/572252695.db2.gz VHAXYERPTPITAG-IUCAKERBSA-N 2 2 193.294 1.586 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C)n1CC(C)C 83534582 572328284 /nfs/dbraw/zinc/32/82/84/572328284.db2.gz YFJTUOJLQUPXNH-UHFFFAOYSA-N 2 2 181.283 1.567 10 0 ADAELP Cc1[nH+]cc(C[NH3+])n1CCOC(C)C 83534533 572328300 /nfs/dbraw/zinc/32/83/00/572328300.db2.gz WBNIQPNPMWXQQS-UHFFFAOYSA-N 2 2 197.282 1.075 10 0 ADAELP CCCCn1c(C[NH2+]C)c[nH+]c1C 83534598 572328307 /nfs/dbraw/zinc/32/83/07/572328307.db2.gz UOSFLYRDLREMJU-UHFFFAOYSA-N 2 2 181.283 1.711 10 0 ADAELP CC[C@H](C)Cn1c(C[NH3+])c[nH+]c1C 83534574 572328345 /nfs/dbraw/zinc/32/83/45/572328345.db2.gz XMEATUZGXKZAAZ-QMMMGPOBSA-N 2 2 181.283 1.696 10 0 ADAELP CC[C@@H](C)Cn1c(C[NH2+]C)c[nH+]c1C 83534617 572328107 /nfs/dbraw/zinc/32/81/07/572328107.db2.gz DTAACFPNAKMCRH-SECBINFHSA-N 2 2 195.310 1.957 10 0 ADAELP CCCCCn1c(C[NH3+])c[nH+]c1C 83534522 572328377 /nfs/dbraw/zinc/32/83/77/572328377.db2.gz LUDLLWSTHSWHDZ-UHFFFAOYSA-N 2 2 181.283 1.840 10 0 ADAELP Cc1[nH+]cc(C[NH3+])n1CCC(C)C 83534550 572329056 /nfs/dbraw/zinc/32/90/56/572329056.db2.gz SUWJIDUXQDCWDF-UHFFFAOYSA-N 2 2 181.283 1.696 10 0 ADAELP CCC[NH2+]Cc1c[nH+]c(C)n1CC 83534657 572329104 /nfs/dbraw/zinc/32/91/04/572329104.db2.gz RHVXYGPOLBQNQI-UHFFFAOYSA-N 2 2 181.283 1.711 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(C)n1CC(C)C 83534624 572329227 /nfs/dbraw/zinc/32/92/27/572329227.db2.gz DEBZHWDCKBPLNT-UHFFFAOYSA-N 2 2 195.310 1.957 10 0 ADAELP CCCn1c(C[NH2+]C2CC2)c[nH+]c1C 83534693 572329309 /nfs/dbraw/zinc/32/93/09/572329309.db2.gz BAAWGYBMCFFPTC-UHFFFAOYSA-N 2 2 193.294 1.854 10 0 ADAELP CCn1c(C[NH2+]C(C)C)c[nH+]c1C 83534675 572329549 /nfs/dbraw/zinc/32/95/49/572329549.db2.gz WEVOAUUKYJCWMY-UHFFFAOYSA-N 2 2 181.283 1.709 10 0 ADAELP CC[C@@H](C)Cn1c(C[NH3+])c[nH+]c1C 83534573 572330766 /nfs/dbraw/zinc/33/07/66/572330766.db2.gz XMEATUZGXKZAAZ-MRVPVSSYSA-N 2 2 181.283 1.696 10 0 ADAELP CCCn1c(C[NH2+]CC)c[nH+]c1C 83534630 572329943 /nfs/dbraw/zinc/32/99/43/572329943.db2.gz FCONXMHLTJTEMC-UHFFFAOYSA-N 2 2 181.283 1.711 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C)n1CCC(C)C 83534603 572329961 /nfs/dbraw/zinc/32/99/61/572329961.db2.gz UOJUIQZRUKMRGS-UHFFFAOYSA-N 2 2 195.310 1.957 10 0 ADAELP CCCn1c(C[NH2+]C)c[nH+]c1C 83534588 572330211 /nfs/dbraw/zinc/33/02/11/572330211.db2.gz KNXMFLWPLOGTIY-UHFFFAOYSA-N 2 2 167.256 1.321 10 0 ADAELP CCCCn1c(C[NH3+])c[nH+]c1C 83534541 572330297 /nfs/dbraw/zinc/33/02/97/572330297.db2.gz PQBOFNBNLLPLIJ-UHFFFAOYSA-N 2 2 167.256 1.450 10 0 ADAELP CCn1c(C[NH2+]CC(C)C)c[nH+]c1C 83534724 572330415 /nfs/dbraw/zinc/33/04/15/572330415.db2.gz RYIORXYUIHTUKX-UHFFFAOYSA-N 2 2 195.310 1.957 10 0 ADAELP CCn1c(C[NH2+]C2CC2)c[nH+]c1C 83534694 572330777 /nfs/dbraw/zinc/33/07/77/572330777.db2.gz AEGHZPQZVYMOEP-UHFFFAOYSA-N 2 2 179.267 1.463 10 0 ADAELP CC[C@H](C)Cn1c(C[NH2+]C)c[nH+]c1C 83534618 572330919 /nfs/dbraw/zinc/33/09/19/572330919.db2.gz DTAACFPNAKMCRH-VIFPVBQESA-N 2 2 195.310 1.957 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(C)n1CC 83534631 572330946 /nfs/dbraw/zinc/33/09/46/572330946.db2.gz YZMCLKOFBVHSKI-UHFFFAOYSA-N 2 2 167.256 1.321 10 0 ADAELP Cc1cn2ccc([C@H](C)[NH3+])cc2[nH+]1 107164718 572331767 /nfs/dbraw/zinc/33/17/67/572331767.db2.gz WJWWRDQYKAQJRW-QMMMGPOBSA-N 2 2 175.235 1.662 10 0 ADAELP CCOCCCn1c(C[NH3+])c[nH+]c1C 83553376 572333135 /nfs/dbraw/zinc/33/31/35/572333135.db2.gz SXCADZRSWRTJBT-UHFFFAOYSA-N 2 2 197.282 1.077 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cccc(F)c1F 60099526 572333783 /nfs/dbraw/zinc/33/37/83/572333783.db2.gz NHDXLSLMIOBZOS-MRVPVSSYSA-N 2 2 186.205 1.184 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cccc(F)c1F 60099523 572333914 /nfs/dbraw/zinc/33/39/14/572333914.db2.gz NHDXLSLMIOBZOS-QMMMGPOBSA-N 2 2 186.205 1.184 10 0 ADAELP CCC[C@@H](C[NH3+])Nc1cc(C)[nH+]cn1 83568502 572336875 /nfs/dbraw/zinc/33/68/75/572336875.db2.gz ZMQCJEQKOZXRBP-VIFPVBQESA-N 2 2 194.282 1.324 10 0 ADAELP CCC[C@H](C[NH3+])Nc1cccc(C)[nH+]1 83568718 572337524 /nfs/dbraw/zinc/33/75/24/572337524.db2.gz SVNUBGBXMJTFQX-SNVBAGLBSA-N 2 2 193.294 1.929 10 0 ADAELP CC(C)C(C)(C)[NH2+]CC[NH+](C)C 238206934 572336742 /nfs/dbraw/zinc/33/67/42/572336742.db2.gz AQRJGKQWYSAPOI-UHFFFAOYSA-N 2 2 172.316 1.572 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]2C)C1 52275581 572336837 /nfs/dbraw/zinc/33/68/37/572336837.db2.gz OEMHCVBRFLSRJX-MXWKQRLJSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]2C)C1 52275581 572336839 /nfs/dbraw/zinc/33/68/39/572336839.db2.gz OEMHCVBRFLSRJX-MXWKQRLJSA-N 2 2 182.311 1.467 10 0 ADAELP CCC[C@@H](C[NH3+])Nc1cc[nH+]c(C)n1 83568606 572337080 /nfs/dbraw/zinc/33/70/80/572337080.db2.gz ITUJKIITSJRJRE-VIFPVBQESA-N 2 2 194.282 1.324 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@H]1CS[C@H](C)C1 86937662 572337422 /nfs/dbraw/zinc/33/74/22/572337422.db2.gz IHKOCEWWALHCCU-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@H]1CS[C@H](C)C1 86937662 572337424 /nfs/dbraw/zinc/33/74/24/572337424.db2.gz IHKOCEWWALHCCU-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC2)C1 52208959 572337469 /nfs/dbraw/zinc/33/74/69/572337469.db2.gz AWIKSZIBXSWPDY-NSHDSACASA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC2)C1 52208959 572337470 /nfs/dbraw/zinc/33/74/70/572337470.db2.gz AWIKSZIBXSWPDY-NSHDSACASA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC2)C1 52208962 572337688 /nfs/dbraw/zinc/33/76/88/572337688.db2.gz AWIKSZIBXSWPDY-LLVKDONJSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC2)C1 52208962 572337693 /nfs/dbraw/zinc/33/76/93/572337693.db2.gz AWIKSZIBXSWPDY-LLVKDONJSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)C[C@@H]1CC[N@@H+](C2CC2)C[C@@H]1[NH3+] 77296114 572337735 /nfs/dbraw/zinc/33/77/35/572337735.db2.gz PAGWWKDYGLUCIL-JQWIXIFHSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)C[C@@H]1CC[N@H+](C2CC2)C[C@@H]1[NH3+] 77296114 572337737 /nfs/dbraw/zinc/33/77/37/572337737.db2.gz PAGWWKDYGLUCIL-JQWIXIFHSA-N 2 2 196.338 1.844 10 0 ADAELP CCc1ccccc1[C@@H](C[NH3+])[NH2+]C 52203950 572337751 /nfs/dbraw/zinc/33/77/51/572337751.db2.gz GVZRMSPLKUTNAD-LLVKDONJSA-N 2 2 178.279 1.468 10 0 ADAELP C=C/C=C\CC[NH2+]CC1([NH+](C)C)CC1 713680667 572338131 /nfs/dbraw/zinc/33/81/31/572338131.db2.gz FKPPZONUXHPBII-WAYWQWQTSA-N 2 2 194.322 1.803 10 0 ADAELP CCC[C@@H](C[NH3+])Nc1cc(C)cc[nH+]1 83568423 572338175 /nfs/dbraw/zinc/33/81/75/572338175.db2.gz JKBINAALLGGKDO-JTQLQIEISA-N 2 2 193.294 1.929 10 0 ADAELP CC(C)C[C@H]1CC[N@@H+](C2CC2)C[C@@H]1[NH3+] 77296115 572338182 /nfs/dbraw/zinc/33/81/82/572338182.db2.gz PAGWWKDYGLUCIL-PWSUYJOCSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)C[C@H]1CC[N@H+](C2CC2)C[C@@H]1[NH3+] 77296115 572338185 /nfs/dbraw/zinc/33/81/85/572338185.db2.gz PAGWWKDYGLUCIL-PWSUYJOCSA-N 2 2 196.338 1.844 10 0 ADAELP CCC[C@H](C[NH3+])Nc1cc(C)[nH+]cn1 83568504 572338200 /nfs/dbraw/zinc/33/82/00/572338200.db2.gz ZMQCJEQKOZXRBP-SECBINFHSA-N 2 2 194.282 1.324 10 0 ADAELP CCC[C@H](C[NH3+])Nc1cc(C)cc[nH+]1 83568426 572338269 /nfs/dbraw/zinc/33/82/69/572338269.db2.gz JKBINAALLGGKDO-SNVBAGLBSA-N 2 2 193.294 1.929 10 0 ADAELP CCC[C@@H](C[NH3+])Nc1cccc(C)[nH+]1 83568716 572338655 /nfs/dbraw/zinc/33/86/55/572338655.db2.gz SVNUBGBXMJTFQX-JTQLQIEISA-N 2 2 193.294 1.929 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@@H]1CS[C@@H](C)C1 86937661 572339187 /nfs/dbraw/zinc/33/91/87/572339187.db2.gz IHKOCEWWALHCCU-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@@H]1CS[C@@H](C)C1 86937661 572339190 /nfs/dbraw/zinc/33/91/90/572339190.db2.gz IHKOCEWWALHCCU-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CCC[C@H](C[NH3+])Nc1cc[nH+]c(C)n1 83568608 572339293 /nfs/dbraw/zinc/33/92/93/572339293.db2.gz ITUJKIITSJRJRE-SECBINFHSA-N 2 2 194.282 1.324 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@@H]1CS[C@H](C)C1 86937660 572339332 /nfs/dbraw/zinc/33/93/32/572339332.db2.gz IHKOCEWWALHCCU-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@@H]1CS[C@H](C)C1 86937660 572339335 /nfs/dbraw/zinc/33/93/35/572339335.db2.gz IHKOCEWWALHCCU-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@H+](C)[C@H]1CS[C@@H](C)C1 86937663 572339376 /nfs/dbraw/zinc/33/93/76/572339376.db2.gz IHKOCEWWALHCCU-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+](C)[C@H]1CS[C@@H](C)C1 86937663 572339377 /nfs/dbraw/zinc/33/93/77/572339377.db2.gz IHKOCEWWALHCCU-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 52294264 572340551 /nfs/dbraw/zinc/34/05/51/572340551.db2.gz UDNRYOIOKQZDHY-KXUCPTDWSA-N 2 2 168.284 1.127 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(F)ccc1C 234425307 572340901 /nfs/dbraw/zinc/34/09/01/572340901.db2.gz RAMMVLABOLNRCD-JTQLQIEISA-N 2 2 182.242 1.353 10 0 ADAELP C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 52294267 572341167 /nfs/dbraw/zinc/34/11/67/572341167.db2.gz UDNRYOIOKQZDHY-LPEHRKFASA-N 2 2 168.284 1.127 10 0 ADAELP C/C(=C/Cl)C[N@@H+]1CCC[C@@H]1C[NH3+] 307982347 572341349 /nfs/dbraw/zinc/34/13/49/572341349.db2.gz PWENZYAKNNYTGC-BZJXQOFCSA-N 2 2 188.702 1.552 10 0 ADAELP C/C(=C/Cl)C[N@H+]1CCC[C@@H]1C[NH3+] 307982347 572341351 /nfs/dbraw/zinc/34/13/51/572341351.db2.gz PWENZYAKNNYTGC-BZJXQOFCSA-N 2 2 188.702 1.552 10 0 ADAELP CC(C)(C[NH3+])CCn1cc[nH+]c1 83637387 572341619 /nfs/dbraw/zinc/34/16/19/572341619.db2.gz CLYUTIYXSHQHMI-UHFFFAOYSA-N 2 2 167.256 1.258 10 0 ADAELP C/C(=C/Cl)C[N@@H+]1CCC[C@H]1C[NH3+] 307982348 572341707 /nfs/dbraw/zinc/34/17/07/572341707.db2.gz PWENZYAKNNYTGC-RDOCRHDPSA-N 2 2 188.702 1.552 10 0 ADAELP C/C(=C/Cl)C[N@H+]1CCC[C@H]1C[NH3+] 307982348 572341710 /nfs/dbraw/zinc/34/17/10/572341710.db2.gz PWENZYAKNNYTGC-RDOCRHDPSA-N 2 2 188.702 1.552 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 52294259 572342169 /nfs/dbraw/zinc/34/21/69/572342169.db2.gz UDNRYOIOKQZDHY-UTLUCORTSA-N 2 2 168.284 1.127 10 0 ADAELP Nc1cc(C2C[NH2+]C2)c2ccccc2[nH+]1 238639061 572342235 /nfs/dbraw/zinc/34/22/35/572342235.db2.gz SSVJUAOEVGRFHV-UHFFFAOYSA-N 2 2 199.257 1.504 10 0 ADAELP C[C@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 52294262 572342702 /nfs/dbraw/zinc/34/27/02/572342702.db2.gz UDNRYOIOKQZDHY-GUBZILKMSA-N 2 2 168.284 1.127 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cccc(C2CC2)c1 87012088 572343899 /nfs/dbraw/zinc/34/38/99/572343899.db2.gz CRKZUQLEMAXPGC-LBPRGKRZSA-N 2 2 190.290 1.783 10 0 ADAELP CCC[NH2+]CCc1cn(CC)c[nH+]1 87016832 572343942 /nfs/dbraw/zinc/34/39/42/572343942.db2.gz CANYQTZOSRSBME-UHFFFAOYSA-N 2 2 181.283 1.445 10 0 ADAELP CC(C)(C)CCn1c[nH+]c(CC[NH3+])c1 87016469 572344102 /nfs/dbraw/zinc/34/41/02/572344102.db2.gz ONDRBVJFNGERRH-UHFFFAOYSA-N 2 2 195.310 1.821 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(C2CC2)cc1 87012093 572344365 /nfs/dbraw/zinc/34/43/65/572344365.db2.gz NJFBKMYWEQQQQF-LBPRGKRZSA-N 2 2 190.290 1.783 10 0 ADAELP CC[C@@H](C)Cn1c[nH+]c(CC[NH3+])c1 87016515 572346161 /nfs/dbraw/zinc/34/61/61/572346161.db2.gz BYRJVRJCZYHMDD-SECBINFHSA-N 2 2 181.283 1.430 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 52420473 572344440 /nfs/dbraw/zinc/34/44/40/572344440.db2.gz VOPFMKIOAAEZOH-AXFHLTTASA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 52420473 572344445 /nfs/dbraw/zinc/34/44/45/572344445.db2.gz VOPFMKIOAAEZOH-AXFHLTTASA-N 2 2 184.327 1.572 10 0 ADAELP CCCCCCn1c[nH+]c(CC[NH3+])c1 87016476 572344498 /nfs/dbraw/zinc/34/44/98/572344498.db2.gz VAUVIBDOXYDNFQ-UHFFFAOYSA-N 2 2 195.310 1.965 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccccc1C1CC1 87015035 572344999 /nfs/dbraw/zinc/34/49/99/572344999.db2.gz UOIPUFOKFZNLEE-LBPRGKRZSA-N 2 2 190.290 1.783 10 0 ADAELP CCC[NH2+]CCc1cn(CCC)c[nH+]1 87016825 572345075 /nfs/dbraw/zinc/34/50/75/572345075.db2.gz ZPHHLWHQTNVXBP-UHFFFAOYSA-N 2 2 195.310 1.835 10 0 ADAELP CC[NH2+]CCc1cn(CC(C)C)c[nH+]1 87016733 572345185 /nfs/dbraw/zinc/34/51/85/572345185.db2.gz IBWCVUWYKZJZSU-UHFFFAOYSA-N 2 2 195.310 1.691 10 0 ADAELP [NH3+]CC[NH2+]Cc1cccc(C2CC2)c1 87011870 572345227 /nfs/dbraw/zinc/34/52/27/572345227.db2.gz ODLZFHUONRVPNC-UHFFFAOYSA-N 2 2 190.290 1.612 10 0 ADAELP CCC[C@H](C)Cn1c[nH+]c(CC[NH3+])c1 87016514 572345282 /nfs/dbraw/zinc/34/52/82/572345282.db2.gz IVAHIEWMLZFJBO-JTQLQIEISA-N 2 2 195.310 1.821 10 0 ADAELP C[NH2+]C[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 52420475 572345459 /nfs/dbraw/zinc/34/54/59/572345459.db2.gz VOPFMKIOAAEZOH-MXWKQRLJSA-N 2 2 184.327 1.572 10 0 ADAELP CC[C@H](C)Cn1c[nH+]c(CC[NH2+]C)c1 87016678 572345978 /nfs/dbraw/zinc/34/59/78/572345978.db2.gz OSLBRHGYDDKANJ-JTQLQIEISA-N 2 2 195.310 1.691 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccccc1C1CC1 87015037 572346052 /nfs/dbraw/zinc/34/60/52/572346052.db2.gz UOIPUFOKFZNLEE-GFCCVEGCSA-N 2 2 190.290 1.783 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cccc(C2CC2)c1 87012090 572346530 /nfs/dbraw/zinc/34/65/30/572346530.db2.gz CRKZUQLEMAXPGC-GFCCVEGCSA-N 2 2 190.290 1.783 10 0 ADAELP CCC[C@@H](C)Cn1c[nH+]c(CC[NH3+])c1 87016512 572346745 /nfs/dbraw/zinc/34/67/45/572346745.db2.gz IVAHIEWMLZFJBO-SNVBAGLBSA-N 2 2 195.310 1.821 10 0 ADAELP CCCCCn1c[nH+]c(CC[NH2+]C)c1 87016590 572346734 /nfs/dbraw/zinc/34/67/34/572346734.db2.gz IZHJERWJGBZGSW-UHFFFAOYSA-N 2 2 195.310 1.835 10 0 ADAELP CC[C@H](C)Cn1c[nH+]c(CC[NH3+])c1 87016517 572347107 /nfs/dbraw/zinc/34/71/07/572347107.db2.gz BYRJVRJCZYHMDD-VIFPVBQESA-N 2 2 181.283 1.430 10 0 ADAELP [NH3+]CC[NH2+]Cc1ccc(C2CC2)cc1 87011872 572346931 /nfs/dbraw/zinc/34/69/31/572346931.db2.gz NMAANWPKFBVSKS-UHFFFAOYSA-N 2 2 190.290 1.612 10 0 ADAELP C[C@H](C[NH2+]C(C)(C)C)[NH+](C)C 52422620 572347161 /nfs/dbraw/zinc/34/71/61/572347161.db2.gz PNLMIJRCSWPQFL-MRVPVSSYSA-N 2 2 158.289 1.325 10 0 ADAELP C[NH2+]C[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 52420474 572346981 /nfs/dbraw/zinc/34/69/81/572346981.db2.gz VOPFMKIOAAEZOH-DCAQKATOSA-N 2 2 184.327 1.572 10 0 ADAELP CCCn1c[nH+]c(CC[NH2+]CC)c1 87016753 572347025 /nfs/dbraw/zinc/34/70/25/572347025.db2.gz FEFFYMMHXFCWFL-UHFFFAOYSA-N 2 2 181.283 1.445 10 0 ADAELP CC[NH2+]CCc1cn(CC)c[nH+]1 87016769 572347051 /nfs/dbraw/zinc/34/70/51/572347051.db2.gz XVVBYUJVIHKMJX-UHFFFAOYSA-N 2 2 167.256 1.055 10 0 ADAELP CCCn1c[nH+]c(CC[NH2+]C)c1 87016628 572347201 /nfs/dbraw/zinc/34/72/01/572347201.db2.gz ZPWDQEDRGMKSAO-UHFFFAOYSA-N 2 2 167.256 1.055 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(C2CC2)cc1 87012095 572347278 /nfs/dbraw/zinc/34/72/78/572347278.db2.gz NJFBKMYWEQQQQF-GFCCVEGCSA-N 2 2 190.290 1.783 10 0 ADAELP [NH3+]CC[NH2+]Cc1ccccc1C1CC1 87011874 572347382 /nfs/dbraw/zinc/34/73/82/572347382.db2.gz UGMNNICVXLJHTR-UHFFFAOYSA-N 2 2 190.290 1.612 10 0 ADAELP C[NH2+]CCc1cn(CCC(C)C)c[nH+]1 87016655 572347468 /nfs/dbraw/zinc/34/74/68/572347468.db2.gz AJTWUHPRXGDUKG-UHFFFAOYSA-N 2 2 195.310 1.691 10 0 ADAELP CC(C)CC1(C[NH2+]CC[NH+](C)C)CC1 391956281 572347479 /nfs/dbraw/zinc/34/74/79/572347479.db2.gz IYDCKKUDHBVJQW-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CCC[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610060 572347619 /nfs/dbraw/zinc/34/76/19/572347619.db2.gz BCEWTZKEBCEOPU-VIFPVBQESA-N 2 2 181.283 1.730 10 0 ADAELP CCC[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610060 572347623 /nfs/dbraw/zinc/34/76/23/572347623.db2.gz BCEWTZKEBCEOPU-VIFPVBQESA-N 2 2 181.283 1.730 10 0 ADAELP CC[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610439 572347939 /nfs/dbraw/zinc/34/79/39/572347939.db2.gz DGPWUAQBMVRSGM-QMMMGPOBSA-N 2 2 167.256 1.340 10 0 ADAELP CC[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610439 572347942 /nfs/dbraw/zinc/34/79/42/572347942.db2.gz DGPWUAQBMVRSGM-QMMMGPOBSA-N 2 2 167.256 1.340 10 0 ADAELP CC[C@H](C)C[NH2+]CCc1c[nH]c[nH+]1 83610523 572347974 /nfs/dbraw/zinc/34/79/74/572347974.db2.gz NXZNSBFTCAWJGP-VIFPVBQESA-N 2 2 181.283 1.588 10 0 ADAELP CC[C@H](C)C[NH2+]CCc1c[nH+]c[nH]1 83610523 572347977 /nfs/dbraw/zinc/34/79/77/572347977.db2.gz NXZNSBFTCAWJGP-VIFPVBQESA-N 2 2 181.283 1.588 10 0 ADAELP CC[C@@H]([NH2+]CCc1c[nH]c[nH+]1)C1CC1 83610234 572348008 /nfs/dbraw/zinc/34/80/08/572348008.db2.gz IUYGUXDGLWAABR-LLVKDONJSA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@@H]([NH2+]CCc1c[nH+]c[nH]1)C1CC1 83610234 572348011 /nfs/dbraw/zinc/34/80/11/572348011.db2.gz IUYGUXDGLWAABR-LLVKDONJSA-N 2 2 193.294 1.730 10 0 ADAELP CC(C)C(=[NH2+])NCCc1c[nH+]c[nH]1 83611201 572349377 /nfs/dbraw/zinc/34/93/77/572349377.db2.gz WOAQBNBCRQONLM-UHFFFAOYSA-N 2 2 180.255 1.175 10 0 ADAELP CC(C)[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610435 572348123 /nfs/dbraw/zinc/34/81/23/572348123.db2.gz KNMQMFPLWJHSCG-VIFPVBQESA-N 2 2 181.283 1.586 10 0 ADAELP CC(C)[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610435 572348127 /nfs/dbraw/zinc/34/81/27/572348127.db2.gz KNMQMFPLWJHSCG-VIFPVBQESA-N 2 2 181.283 1.586 10 0 ADAELP CC(C)C[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610141 572348197 /nfs/dbraw/zinc/34/81/97/572348197.db2.gz UICRFPPFBSAJFW-JTQLQIEISA-N 2 2 195.310 1.976 10 0 ADAELP CC(C)C[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610141 572348199 /nfs/dbraw/zinc/34/81/99/572348199.db2.gz UICRFPPFBSAJFW-JTQLQIEISA-N 2 2 195.310 1.976 10 0 ADAELP c1[nH]cc(CC[NH2+]CC2CCCC2)[nH+]1 83610090 572348242 /nfs/dbraw/zinc/34/82/42/572348242.db2.gz KGLWJHHRYXHSBD-UHFFFAOYSA-N 2 2 193.294 1.732 10 0 ADAELP c1[nH]c(CC[NH2+]CC2CCCC2)c[nH+]1 83610090 572348245 /nfs/dbraw/zinc/34/82/45/572348245.db2.gz KGLWJHHRYXHSBD-UHFFFAOYSA-N 2 2 193.294 1.732 10 0 ADAELP CC(C)(C)C(=[NH2+])NCCc1c[nH]c[nH+]1 83611206 572348338 /nfs/dbraw/zinc/34/83/38/572348338.db2.gz LLKVMEJPYQJQHA-UHFFFAOYSA-N 2 2 194.282 1.565 10 0 ADAELP CC(C)(C)C(=[NH2+])NCCc1c[nH+]c[nH]1 83611206 572348343 /nfs/dbraw/zinc/34/83/43/572348343.db2.gz LLKVMEJPYQJQHA-UHFFFAOYSA-N 2 2 194.282 1.565 10 0 ADAELP c1[nH]cc(CC[NH2+][C@@H]2CCSC2)[nH+]1 83610169 572348476 /nfs/dbraw/zinc/34/84/76/572348476.db2.gz VPVSXXZLDOAEEA-SECBINFHSA-N 2 2 197.307 1.047 10 0 ADAELP c1[nH]c(CC[NH2+][C@@H]2CCSC2)c[nH+]1 83610169 572348479 /nfs/dbraw/zinc/34/84/79/572348479.db2.gz VPVSXXZLDOAEEA-SECBINFHSA-N 2 2 197.307 1.047 10 0 ADAELP c1[nH]cc(CC[NH2+]C2CCCC2)[nH+]1 83610341 572348602 /nfs/dbraw/zinc/34/86/02/572348602.db2.gz NTMOBSXUVIRPPC-UHFFFAOYSA-N 2 2 179.267 1.484 10 0 ADAELP c1[nH]c(CC[NH2+]C2CCCC2)c[nH+]1 83610341 572348604 /nfs/dbraw/zinc/34/86/04/572348604.db2.gz NTMOBSXUVIRPPC-UHFFFAOYSA-N 2 2 179.267 1.484 10 0 ADAELP CCC(CC)[NH2+]CCc1c[nH]c[nH+]1 83610588 572348645 /nfs/dbraw/zinc/34/86/45/572348645.db2.gz KQBSKGQCGWREAK-UHFFFAOYSA-N 2 2 181.283 1.730 10 0 ADAELP CCC(CC)[NH2+]CCc1c[nH+]c[nH]1 83610588 572348648 /nfs/dbraw/zinc/34/86/48/572348648.db2.gz KQBSKGQCGWREAK-UHFFFAOYSA-N 2 2 181.283 1.730 10 0 ADAELP C[NH2+]C[C@H](C)C[N@H+](C)Cc1ccco1 52456594 572348734 /nfs/dbraw/zinc/34/87/34/572348734.db2.gz NGCNSKFQKIBZCM-JTQLQIEISA-N 2 2 196.294 1.567 10 0 ADAELP C[NH2+]C[C@H](C)C[N@@H+](C)Cc1ccco1 52456594 572348739 /nfs/dbraw/zinc/34/87/39/572348739.db2.gz NGCNSKFQKIBZCM-JTQLQIEISA-N 2 2 196.294 1.567 10 0 ADAELP CC[C@@H](C)[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610374 572350395 /nfs/dbraw/zinc/35/03/95/572350395.db2.gz HJGKPHIZZKUELP-NXEZZACHSA-N 2 2 195.310 1.976 10 0 ADAELP C[C@@H]([NH2+]CCc1c[nH]c[nH+]1)C1(C)CC1 83610199 572348888 /nfs/dbraw/zinc/34/88/88/572348888.db2.gz XWIANBGPTXOJCC-SECBINFHSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@@H]([NH2+]CCc1c[nH+]c[nH]1)C1(C)CC1 83610199 572348890 /nfs/dbraw/zinc/34/88/90/572348890.db2.gz XWIANBGPTXOJCC-SECBINFHSA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@@H](C)[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610378 572349006 /nfs/dbraw/zinc/34/90/06/572349006.db2.gz HJGKPHIZZKUELP-ZJUUUORDSA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@@H](C)[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610378 572349009 /nfs/dbraw/zinc/34/90/09/572349009.db2.gz HJGKPHIZZKUELP-ZJUUUORDSA-N 2 2 195.310 1.976 10 0 ADAELP c1[nH]cc(CC[NH2+]C2CCC2)[nH+]1 83610290 572349014 /nfs/dbraw/zinc/34/90/14/572349014.db2.gz MPBROZAQYZRHSO-UHFFFAOYSA-N 2 2 165.240 1.094 10 0 ADAELP c1[nH]c(CC[NH2+]C2CCC2)c[nH+]1 83610290 572349016 /nfs/dbraw/zinc/34/90/16/572349016.db2.gz MPBROZAQYZRHSO-UHFFFAOYSA-N 2 2 165.240 1.094 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]c[nH]1 83610235 572350720 /nfs/dbraw/zinc/35/07/20/572350720.db2.gz OCJBNYUHMKURDG-KOLCDFICSA-N 2 2 193.294 1.730 10 0 ADAELP CCC[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610059 572349080 /nfs/dbraw/zinc/34/90/80/572349080.db2.gz BCEWTZKEBCEOPU-SECBINFHSA-N 2 2 181.283 1.730 10 0 ADAELP CCC[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610059 572349082 /nfs/dbraw/zinc/34/90/82/572349082.db2.gz BCEWTZKEBCEOPU-SECBINFHSA-N 2 2 181.283 1.730 10 0 ADAELP C[C@H]([NH2+]CCc1c[nH]c[nH+]1)C1(C)CC1 83610196 572349185 /nfs/dbraw/zinc/34/91/85/572349185.db2.gz XWIANBGPTXOJCC-VIFPVBQESA-N 2 2 193.294 1.730 10 0 ADAELP C[C@H]([NH2+]CCc1c[nH+]c[nH]1)C1(C)CC1 83610196 572349187 /nfs/dbraw/zinc/34/91/87/572349187.db2.gz XWIANBGPTXOJCC-VIFPVBQESA-N 2 2 193.294 1.730 10 0 ADAELP C[C@@H]([NH2+]CCc1c[nH]c[nH+]1)C1CC1 83610354 572349217 /nfs/dbraw/zinc/34/92/17/572349217.db2.gz LLRNCCZZIIGFLL-MRVPVSSYSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@@H]([NH2+]CCc1c[nH+]c[nH]1)C1CC1 83610354 572349221 /nfs/dbraw/zinc/34/92/21/572349221.db2.gz LLRNCCZZIIGFLL-MRVPVSSYSA-N 2 2 179.267 1.340 10 0 ADAELP c1[nH]cc(CC[NH2+][C@H]2CCSC2)[nH+]1 83610171 572349261 /nfs/dbraw/zinc/34/92/61/572349261.db2.gz VPVSXXZLDOAEEA-VIFPVBQESA-N 2 2 197.307 1.047 10 0 ADAELP c1[nH]c(CC[NH2+][C@H]2CCSC2)c[nH+]1 83610171 572349265 /nfs/dbraw/zinc/34/92/65/572349265.db2.gz VPVSXXZLDOAEEA-VIFPVBQESA-N 2 2 197.307 1.047 10 0 ADAELP CSCCC[NH2+]CCc1c[nH]c[nH+]1 83610372 572349304 /nfs/dbraw/zinc/34/93/04/572349304.db2.gz IZLNNZGADPRPFA-UHFFFAOYSA-N 2 2 199.323 1.295 10 0 ADAELP CSCCC[NH2+]CCc1c[nH+]c[nH]1 83610372 572349308 /nfs/dbraw/zinc/34/93/08/572349308.db2.gz IZLNNZGADPRPFA-UHFFFAOYSA-N 2 2 199.323 1.295 10 0 ADAELP CC(C)C(=[NH2+])NCCc1c[nH]c[nH+]1 83611201 572349374 /nfs/dbraw/zinc/34/93/74/572349374.db2.gz WOAQBNBCRQONLM-UHFFFAOYSA-N 2 2 180.255 1.175 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c[nH+]2)C1 83610574 572349616 /nfs/dbraw/zinc/34/96/16/572349616.db2.gz KOKIHXUABBLOMI-ZJUUUORDSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]c[nH]2)C1 83610574 572349619 /nfs/dbraw/zinc/34/96/19/572349619.db2.gz KOKIHXUABBLOMI-ZJUUUORDSA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@@H](C)C[NH2+]CCc1c[nH]c[nH+]1 83610522 572350259 /nfs/dbraw/zinc/35/02/59/572350259.db2.gz NXZNSBFTCAWJGP-SECBINFHSA-N 2 2 181.283 1.588 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH]c[nH+]2)C1 83610580 572349656 /nfs/dbraw/zinc/34/96/56/572349656.db2.gz KOKIHXUABBLOMI-VHSXEESVSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]CCc2c[nH+]c[nH]2)C1 83610580 572349660 /nfs/dbraw/zinc/34/96/60/572349660.db2.gz KOKIHXUABBLOMI-VHSXEESVSA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@@H](C[NH3+])C[NH2+]Cc1cscn1 83609374 572349685 /nfs/dbraw/zinc/34/96/85/572349685.db2.gz HOXYSKHSRDTVEN-QMMMGPOBSA-N 2 2 199.323 1.218 10 0 ADAELP CC[C@@H]([NH2+]CCc1c[nH]c[nH+]1)C(C)C 83610073 572349716 /nfs/dbraw/zinc/34/97/16/572349716.db2.gz SDGOYKWPYGVMCM-LLVKDONJSA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@@H]([NH2+]CCc1c[nH+]c[nH]1)C(C)C 83610073 572349719 /nfs/dbraw/zinc/34/97/19/572349719.db2.gz SDGOYKWPYGVMCM-LLVKDONJSA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@@H](C)C[NH2+]CCc1c[nH+]c[nH]1 83610522 572350262 /nfs/dbraw/zinc/35/02/62/572350262.db2.gz NXZNSBFTCAWJGP-SECBINFHSA-N 2 2 181.283 1.588 10 0 ADAELP c1[nH]cc(CC[NH2+]Cc2ccoc2)[nH+]1 83610481 572349825 /nfs/dbraw/zinc/34/98/25/572349825.db2.gz ZIECWPROQNIZCK-UHFFFAOYSA-N 2 2 191.234 1.335 10 0 ADAELP c1[nH]c(CC[NH2+]Cc2ccoc2)c[nH+]1 83610481 572349826 /nfs/dbraw/zinc/34/98/26/572349826.db2.gz ZIECWPROQNIZCK-UHFFFAOYSA-N 2 2 191.234 1.335 10 0 ADAELP C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c[nH+]1 83610239 572349865 /nfs/dbraw/zinc/34/98/65/572349865.db2.gz OCJBNYUHMKURDG-MWLCHTKSSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH+]c[nH]1 83610239 572349870 /nfs/dbraw/zinc/34/98/70/572349870.db2.gz OCJBNYUHMKURDG-MWLCHTKSSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]CCc2c[nH]c[nH+]2)C1 83610576 572350011 /nfs/dbraw/zinc/35/00/11/572350011.db2.gz KOKIHXUABBLOMI-UWVGGRQHSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]CCc2c[nH+]c[nH]2)C1 83610576 572350014 /nfs/dbraw/zinc/35/00/14/572350014.db2.gz KOKIHXUABBLOMI-UWVGGRQHSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c[nH+]1 83610241 572350037 /nfs/dbraw/zinc/35/00/37/572350037.db2.gz OCJBNYUHMKURDG-GXSJLCMTSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH+]c[nH]1 83610241 572350041 /nfs/dbraw/zinc/35/00/41/572350041.db2.gz OCJBNYUHMKURDG-GXSJLCMTSA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@@H](C)[N@H+](CC)[C@@H](C)C[NH2+]C 52450817 572350115 /nfs/dbraw/zinc/35/01/15/572350115.db2.gz QMLIBYWHINQFOS-ZJUUUORDSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@@H](C)[N@@H+](CC)[C@@H](C)C[NH2+]C 52450817 572350119 /nfs/dbraw/zinc/35/01/19/572350119.db2.gz QMLIBYWHINQFOS-ZJUUUORDSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@H]([NH2+]CCc1c[nH]c[nH+]1)C1CC1 83610232 572350125 /nfs/dbraw/zinc/35/01/25/572350125.db2.gz IUYGUXDGLWAABR-NSHDSACASA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@H]([NH2+]CCc1c[nH+]c[nH]1)C1CC1 83610232 572350128 /nfs/dbraw/zinc/35/01/28/572350128.db2.gz IUYGUXDGLWAABR-NSHDSACASA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610380 572350188 /nfs/dbraw/zinc/35/01/88/572350188.db2.gz HJGKPHIZZKUELP-UWVGGRQHSA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610380 572350183 /nfs/dbraw/zinc/35/01/83/572350183.db2.gz HJGKPHIZZKUELP-UWVGGRQHSA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610437 572350347 /nfs/dbraw/zinc/35/03/47/572350347.db2.gz DGPWUAQBMVRSGM-MRVPVSSYSA-N 2 2 167.256 1.340 10 0 ADAELP CC[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610437 572350350 /nfs/dbraw/zinc/35/03/50/572350350.db2.gz DGPWUAQBMVRSGM-MRVPVSSYSA-N 2 2 167.256 1.340 10 0 ADAELP CC[C@@H](C)[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610374 572350400 /nfs/dbraw/zinc/35/04/00/572350400.db2.gz HJGKPHIZZKUELP-NXEZZACHSA-N 2 2 195.310 1.976 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c[nH+]2)C1 83610578 572350574 /nfs/dbraw/zinc/35/05/74/572350574.db2.gz KOKIHXUABBLOMI-NXEZZACHSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]c[nH]2)C1 83610578 572350577 /nfs/dbraw/zinc/35/05/77/572350577.db2.gz KOKIHXUABBLOMI-NXEZZACHSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c[nH+]1 83610235 572350717 /nfs/dbraw/zinc/35/07/17/572350717.db2.gz OCJBNYUHMKURDG-KOLCDFICSA-N 2 2 193.294 1.730 10 0 ADAELP CC(C)[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610433 572350788 /nfs/dbraw/zinc/35/07/88/572350788.db2.gz KNMQMFPLWJHSCG-SECBINFHSA-N 2 2 181.283 1.586 10 0 ADAELP CC(C)[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610433 572350790 /nfs/dbraw/zinc/35/07/90/572350790.db2.gz KNMQMFPLWJHSCG-SECBINFHSA-N 2 2 181.283 1.586 10 0 ADAELP CCCCC[NH2+]CCc1c[nH]c[nH+]1 83610525 572350805 /nfs/dbraw/zinc/35/08/05/572350805.db2.gz SXBRDAVNGWEVNX-UHFFFAOYSA-N 2 2 181.283 1.732 10 0 ADAELP CCCCC[NH2+]CCc1c[nH+]c[nH]1 83610525 572350812 /nfs/dbraw/zinc/35/08/12/572350812.db2.gz SXBRDAVNGWEVNX-UHFFFAOYSA-N 2 2 181.283 1.732 10 0 ADAELP CC[C@H](C)[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610376 572350974 /nfs/dbraw/zinc/35/09/74/572350974.db2.gz HJGKPHIZZKUELP-VHSXEESVSA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@H](C)[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610376 572350978 /nfs/dbraw/zinc/35/09/78/572350978.db2.gz HJGKPHIZZKUELP-VHSXEESVSA-N 2 2 195.310 1.976 10 0 ADAELP CC[N@H+](C)CC[NH2+]CC(C)C 52445913 572351026 /nfs/dbraw/zinc/35/10/26/572351026.db2.gz BIDRDIRKGRKMEY-UHFFFAOYSA-N 2 2 158.289 1.184 10 0 ADAELP CC[N@@H+](C)CC[NH2+]CC(C)C 52445913 572351028 /nfs/dbraw/zinc/35/10/28/572351028.db2.gz BIDRDIRKGRKMEY-UHFFFAOYSA-N 2 2 158.289 1.184 10 0 ADAELP CC(C)C[C@@H](C)[NH2+]CCc1c[nH]c[nH+]1 83610139 572351113 /nfs/dbraw/zinc/35/11/13/572351113.db2.gz UICRFPPFBSAJFW-SNVBAGLBSA-N 2 2 195.310 1.976 10 0 ADAELP CC(C)C[C@@H](C)[NH2+]CCc1c[nH+]c[nH]1 83610139 572351117 /nfs/dbraw/zinc/35/11/17/572351117.db2.gz UICRFPPFBSAJFW-SNVBAGLBSA-N 2 2 195.310 1.976 10 0 ADAELP C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c[nH+]1 83610238 572351172 /nfs/dbraw/zinc/35/11/72/572351172.db2.gz OCJBNYUHMKURDG-ONGXEEELSA-N 2 2 193.294 1.730 10 0 ADAELP C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH+]c[nH]1 83610238 572351177 /nfs/dbraw/zinc/35/11/77/572351177.db2.gz OCJBNYUHMKURDG-ONGXEEELSA-N 2 2 193.294 1.730 10 0 ADAELP CC[C@H](C[NH3+])C[NH2+]Cc1cscn1 83609376 572351334 /nfs/dbraw/zinc/35/13/34/572351334.db2.gz HOXYSKHSRDTVEN-MRVPVSSYSA-N 2 2 199.323 1.218 10 0 ADAELP C[C@H]([NH2+]CCc1c[nH]c[nH+]1)C1CC1 83610352 572351388 /nfs/dbraw/zinc/35/13/88/572351388.db2.gz LLRNCCZZIIGFLL-QMMMGPOBSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@H]([NH2+]CCc1c[nH+]c[nH]1)C1CC1 83610352 572351391 /nfs/dbraw/zinc/35/13/91/572351391.db2.gz LLRNCCZZIIGFLL-QMMMGPOBSA-N 2 2 179.267 1.340 10 0 ADAELP CCCC[N@@H+]1CCC2CC1(C[NH3+])C2 238220222 572352147 /nfs/dbraw/zinc/35/21/47/572352147.db2.gz MRDPGVZUNYIUBT-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP CCCC[N@H+]1CCC2CC1(C[NH3+])C2 238220222 572352149 /nfs/dbraw/zinc/35/21/49/572352149.db2.gz MRDPGVZUNYIUBT-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(F)cc(F)c1 234425215 572355286 /nfs/dbraw/zinc/35/52/86/572355286.db2.gz JEWIHOIGSJRCNQ-VIFPVBQESA-N 2 2 186.205 1.184 10 0 ADAELP C[NH2+]CC[NH2+]Cc1cc(C)c(C)s1 83632959 572356826 /nfs/dbraw/zinc/35/68/26/572356826.db2.gz CYOLYMUFXXIJHJ-UHFFFAOYSA-N 2 2 198.335 1.674 10 0 ADAELP CCn1cc[nH+]c1CSC(N)=[NH2+] 83589308 572357613 /nfs/dbraw/zinc/35/76/13/572357613.db2.gz JHFYSJHHFJTVDH-UHFFFAOYSA-N 2 2 184.268 1.030 10 0 ADAELP C[NH2+]CC[C@H](C)n1cc[nH+]c1 52575400 572358751 /nfs/dbraw/zinc/35/87/51/572358751.db2.gz IGBIMAKOBNYGIZ-QMMMGPOBSA-N 2 2 153.229 1.054 10 0 ADAELP C[NH2+]CC[C@@H](C)n1cc[nH+]c1 52575401 572358136 /nfs/dbraw/zinc/35/81/36/572358136.db2.gz IGBIMAKOBNYGIZ-MRVPVSSYSA-N 2 2 153.229 1.054 10 0 ADAELP C[C@H](CCC[NH3+])n1cc[nH+]c1 52575443 572358577 /nfs/dbraw/zinc/35/85/77/572358577.db2.gz OVSNWPFPVWUBNN-MRVPVSSYSA-N 2 2 153.229 1.183 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@H]([NH3+])C(C)C)cc1 44138932 572359483 /nfs/dbraw/zinc/35/94/83/572359483.db2.gz HKNVQPREIFKWSJ-VXGBXAGGSA-N 2 2 192.306 1.978 10 0 ADAELP CC[C@@H](C[NH2+]C)n1cc[nH+]c1 52575596 572360213 /nfs/dbraw/zinc/36/02/13/572360213.db2.gz LSXDDKDJZOAZMN-QMMMGPOBSA-N 2 2 153.229 1.054 10 0 ADAELP CC[NH2+][C@@H]1CCCC[N@@H+](C)C1 76592026 572363791 /nfs/dbraw/zinc/36/37/91/572363791.db2.gz VNNUJXRYSOXUOF-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)[C@@H]([NH3+])[C@H]([NH3+])c1ccccc1 44138930 572361892 /nfs/dbraw/zinc/36/18/92/572361892.db2.gz CUEITIUXVYSNIW-GHMZBOCLSA-N 2 2 178.279 1.670 10 0 ADAELP CC[NH2+][C@H]1CCCC[N@H+](C)C1 76592029 572362578 /nfs/dbraw/zinc/36/25/78/572362578.db2.gz VNNUJXRYSOXUOF-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CC[NH2+][C@H]1CCCC[N@@H+](C)C1 76592029 572362582 /nfs/dbraw/zinc/36/25/82/572362582.db2.gz VNNUJXRYSOXUOF-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)(CCn1cc[nH+]c1)C(N)=[NH2+] 83639824 572363187 /nfs/dbraw/zinc/36/31/87/572363187.db2.gz UOIDMFGBFGHAAL-UHFFFAOYSA-N 2 2 180.255 1.235 10 0 ADAELP CC[NH2+][C@@H]1CCCC[N@H+](C)C1 76592026 572363786 /nfs/dbraw/zinc/36/37/86/572363786.db2.gz VNNUJXRYSOXUOF-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP C[NH2+]CC[N@H+](C)CCCCCF 308000204 572365800 /nfs/dbraw/zinc/36/58/00/572365800.db2.gz GORZSSFIFSEDDU-UHFFFAOYSA-N 2 2 176.279 1.277 10 0 ADAELP C[NH2+]CC[N@@H+](C)CCCCCF 308000204 572365803 /nfs/dbraw/zinc/36/58/03/572365803.db2.gz GORZSSFIFSEDDU-UHFFFAOYSA-N 2 2 176.279 1.277 10 0 ADAELP C[C@@H]1CC[C@@H]2CC[N@H+](C)C[C@@H]2[NH2+]1 76597038 572371739 /nfs/dbraw/zinc/37/17/39/572371739.db2.gz HOAMRFLXFOGQMT-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP CC[NH2+]Cc1c[nH+]c([C@H]2CCOC2)[nH]1 83718302 572368640 /nfs/dbraw/zinc/36/86/40/572368640.db2.gz LAXLDDOOBVHWAX-QMMMGPOBSA-N 2 2 195.266 1.023 10 0 ADAELP CCCC[C@H]([NH3+])c1cc(N)[nH+]c(N)c1 238220877 572370372 /nfs/dbraw/zinc/37/03/72/572370372.db2.gz SKHOHORCVIWRIU-QMMMGPOBSA-N 2 2 194.282 1.436 10 0 ADAELP CC[NH2+]Cc1c[nH+]c([C@@H]2CCOC2)[nH]1 83718301 572370580 /nfs/dbraw/zinc/37/05/80/572370580.db2.gz LAXLDDOOBVHWAX-MRVPVSSYSA-N 2 2 195.266 1.023 10 0 ADAELP C[N@@H+]1CCC[C@@H]2[NH2+]C(C)(C)C[C@@H]21 76596878 572371547 /nfs/dbraw/zinc/37/15/47/572371547.db2.gz CVYKPOSBBZKTSJ-IUCAKERBSA-N 2 2 168.284 1.221 10 0 ADAELP C[N@H+]1CCC[C@@H]2[NH2+]C(C)(C)C[C@@H]21 76596878 572371554 /nfs/dbraw/zinc/37/15/54/572371554.db2.gz CVYKPOSBBZKTSJ-IUCAKERBSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[C@@H]2CC[N@@H+](C)C[C@@H]2[NH2+]1 76597038 572371743 /nfs/dbraw/zinc/37/17/43/572371743.db2.gz HOAMRFLXFOGQMT-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CC[C@@H]2CC(C)(C)[NH2+][C@H]2C1 76596871 572371752 /nfs/dbraw/zinc/37/17/52/572371752.db2.gz YEMBZBMRZAUQFZ-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@@H]2CC(C)(C)[NH2+][C@H]2C1 76596871 572371756 /nfs/dbraw/zinc/37/17/56/572371756.db2.gz YEMBZBMRZAUQFZ-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[C@@]2(CCC[N@H+](C)C2)[NH2+]1 76597005 572371921 /nfs/dbraw/zinc/37/19/21/572371921.db2.gz QNZAAYLGFOEWSS-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[C@@]2(CCC[N@@H+](C)C2)[NH2+]1 76597005 572371922 /nfs/dbraw/zinc/37/19/22/572371922.db2.gz QNZAAYLGFOEWSS-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+]1CCC[C@@H]2[NH2+]C(C)(C)C[C@H]21 76596876 572372096 /nfs/dbraw/zinc/37/20/96/572372096.db2.gz CVYKPOSBBZKTSJ-DTWKUNHWSA-N 2 2 168.284 1.221 10 0 ADAELP C[N@H+]1CCC[C@@H]2[NH2+]C(C)(C)C[C@H]21 76596876 572372098 /nfs/dbraw/zinc/37/20/98/572372098.db2.gz CVYKPOSBBZKTSJ-DTWKUNHWSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+]CCC[N@H+](C)C/C(C)=C\Cl 307994140 572372116 /nfs/dbraw/zinc/37/21/16/572372116.db2.gz ZYUQSBUVUUQABQ-CLFYSBASSA-N 2 2 190.718 1.670 10 0 ADAELP C[NH2+]CCC[N@@H+](C)C/C(C)=C\Cl 307994140 572372118 /nfs/dbraw/zinc/37/21/18/572372118.db2.gz ZYUQSBUVUUQABQ-CLFYSBASSA-N 2 2 190.718 1.670 10 0 ADAELP C[N@@H+]1CCC[C@H]2[NH2+]C(C)(C)C[C@@H]21 76596882 572372166 /nfs/dbraw/zinc/37/21/66/572372166.db2.gz CVYKPOSBBZKTSJ-BDAKNGLRSA-N 2 2 168.284 1.221 10 0 ADAELP C[N@H+]1CCC[C@H]2[NH2+]C(C)(C)C[C@@H]21 76596882 572372172 /nfs/dbraw/zinc/37/21/72/572372172.db2.gz CVYKPOSBBZKTSJ-BDAKNGLRSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[C@@]2(CCC[N@H+](C)C2)[NH2+]1 76597006 572372196 /nfs/dbraw/zinc/37/21/96/572372196.db2.gz QNZAAYLGFOEWSS-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[C@@]2(CCC[N@@H+](C)C2)[NH2+]1 76597006 572372199 /nfs/dbraw/zinc/37/21/99/572372199.db2.gz QNZAAYLGFOEWSS-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@H]21 76596934 572372589 /nfs/dbraw/zinc/37/25/89/572372589.db2.gz MMVMBWGUUXDTGG-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@H]21 76596934 572372593 /nfs/dbraw/zinc/37/25/93/572372593.db2.gz MMVMBWGUUXDTGG-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CCCC[C@@H]([NH2+]C2CC2)C1 76597111 572372879 /nfs/dbraw/zinc/37/28/79/572372879.db2.gz GSQPJNYTPRFSQA-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CCCC[C@@H]([NH2+]C2CC2)C1 76597111 572372884 /nfs/dbraw/zinc/37/28/84/572372884.db2.gz GSQPJNYTPRFSQA-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+]1CC[C@H]2CC(C)(C)[NH2+][C@H]2C1 76596869 572373026 /nfs/dbraw/zinc/37/30/26/572373026.db2.gz YEMBZBMRZAUQFZ-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@H]2CC(C)(C)[NH2+][C@H]2C1 76596869 572373028 /nfs/dbraw/zinc/37/30/28/572373028.db2.gz YEMBZBMRZAUQFZ-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CC[C@@]2(CCC(C)(C)[NH2+]2)C1 76597011 572373453 /nfs/dbraw/zinc/37/34/53/572373453.db2.gz ZXQVWANINKYJRM-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CC[C@@]2(CCC(C)(C)[NH2+]2)C1 76597011 572373458 /nfs/dbraw/zinc/37/34/58/572373458.db2.gz ZXQVWANINKYJRM-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[C@H]2CC[N@H+](C)C[C@@H]2[NH2+]1 76597042 572373547 /nfs/dbraw/zinc/37/35/47/572373547.db2.gz HOAMRFLXFOGQMT-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[C@H]2CC[N@@H+](C)C[C@@H]2[NH2+]1 76597042 572373550 /nfs/dbraw/zinc/37/35/50/572373550.db2.gz HOAMRFLXFOGQMT-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CCC[C@H]2[NH2+]C(C)(C)C[C@H]21 76596881 572373855 /nfs/dbraw/zinc/37/38/55/572373855.db2.gz CVYKPOSBBZKTSJ-RKDXNWHRSA-N 2 2 168.284 1.221 10 0 ADAELP C[N@H+]1CCC[C@H]2[NH2+]C(C)(C)C[C@H]21 76596881 572373858 /nfs/dbraw/zinc/37/38/58/572373858.db2.gz CVYKPOSBBZKTSJ-RKDXNWHRSA-N 2 2 168.284 1.221 10 0 ADAELP C[N@@H+]1C[C@@H]2CCC(C)(C)[NH2+][C@H]2C1 76597047 572374072 /nfs/dbraw/zinc/37/40/72/572374072.db2.gz XOQCHIYASVNIMZ-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1C[C@@H]2CCC(C)(C)[NH2+][C@H]2C1 76597047 572374073 /nfs/dbraw/zinc/37/40/73/572374073.db2.gz XOQCHIYASVNIMZ-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CC[C@]2(CCC(C)(C)[NH2+]2)C1 76597008 572374290 /nfs/dbraw/zinc/37/42/90/572374290.db2.gz ZXQVWANINKYJRM-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CC[C@]2(CCC(C)(C)[NH2+]2)C1 76597008 572374296 /nfs/dbraw/zinc/37/42/96/572374296.db2.gz ZXQVWANINKYJRM-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP CCn1c[nH+]c(/C=C/CC[NH3+])c1 308002438 572374390 /nfs/dbraw/zinc/37/43/90/572374390.db2.gz IPOJTEWQLQWHEK-HWKANZROSA-N 2 2 165.240 1.265 10 0 ADAELP C[N@@H+]1C[C@H]2CCC(C)(C)[NH2+][C@H]2C1 76597045 572374407 /nfs/dbraw/zinc/37/44/07/572374407.db2.gz XOQCHIYASVNIMZ-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1C[C@H]2CCC(C)(C)[NH2+][C@H]2C1 76597045 572374410 /nfs/dbraw/zinc/37/44/10/572374410.db2.gz XOQCHIYASVNIMZ-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@H]21 76596935 572374432 /nfs/dbraw/zinc/37/44/32/572374432.db2.gz MMVMBWGUUXDTGG-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@H]21 76596935 572374434 /nfs/dbraw/zinc/37/44/34/572374434.db2.gz MMVMBWGUUXDTGG-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CCCC[C@H]([NH2+]C2CC2)C1 76597109 572374667 /nfs/dbraw/zinc/37/46/67/572374667.db2.gz GSQPJNYTPRFSQA-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CCCC[C@H]([NH2+]C2CC2)C1 76597109 572374672 /nfs/dbraw/zinc/37/46/72/572374672.db2.gz GSQPJNYTPRFSQA-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@@H]21 76596939 572374986 /nfs/dbraw/zinc/37/49/86/572374986.db2.gz MMVMBWGUUXDTGG-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@@H]21 76596939 572374990 /nfs/dbraw/zinc/37/49/90/572374990.db2.gz MMVMBWGUUXDTGG-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP CC[NH+](CC)[C@@](C)(CC)C[NH2+]C 308002745 572375087 /nfs/dbraw/zinc/37/50/87/572375087.db2.gz BQVOHHJLRSKQPT-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP C[N@@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@@H]21 76596937 572375335 /nfs/dbraw/zinc/37/53/35/572375335.db2.gz MMVMBWGUUXDTGG-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@@H]21 76596937 572375340 /nfs/dbraw/zinc/37/53/40/572375340.db2.gz MMVMBWGUUXDTGG-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP CC[NH+](CC)[C@](C)(CC)C[NH2+]C 308002752 572375344 /nfs/dbraw/zinc/37/53/44/572375344.db2.gz BQVOHHJLRSKQPT-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP C[C@H](c1[nH+]ccn1C)[C@@H](C)[NH2+]C1CC1 87144132 572376488 /nfs/dbraw/zinc/37/64/88/572376488.db2.gz QSNGTRYHOABRHN-DTWKUNHWSA-N 2 2 193.294 1.664 10 0 ADAELP C[C@@H]([NH2+]C1CC1)[C@@H](C)c1[nH+]ccn1C 87144129 572376522 /nfs/dbraw/zinc/37/65/22/572376522.db2.gz QSNGTRYHOABRHN-RKDXNWHRSA-N 2 2 193.294 1.664 10 0 ADAELP Cc1sccc1C[N@H+](C)CC[NH3+] 308003828 572377257 /nfs/dbraw/zinc/37/72/57/572377257.db2.gz CGDYQHLNRNUCIX-UHFFFAOYSA-N 2 2 184.308 1.447 10 0 ADAELP Cc1sccc1C[N@@H+](C)CC[NH3+] 308003828 572377261 /nfs/dbraw/zinc/37/72/61/572377261.db2.gz CGDYQHLNRNUCIX-UHFFFAOYSA-N 2 2 184.308 1.447 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]C(C)(C)C 141059868 572377575 /nfs/dbraw/zinc/37/75/75/572377575.db2.gz IFKQJZLMVWGGCL-MRVPVSSYSA-N 2 2 158.289 1.325 10 0 ADAELP C[C@H]([NH2+]C1CC1)[C@@H](C)c1[nH+]ccn1C 87144135 572378845 /nfs/dbraw/zinc/37/88/45/572378845.db2.gz QSNGTRYHOABRHN-BDAKNGLRSA-N 2 2 193.294 1.664 10 0 ADAELP C[C@H]([NH2+]C1CC1)[C@H](C)c1[nH+]ccn1C 87144139 572378820 /nfs/dbraw/zinc/37/88/20/572378820.db2.gz QSNGTRYHOABRHN-IUCAKERBSA-N 2 2 193.294 1.664 10 0 ADAELP CC(C)[NH2+][C@H]1CCCC[N@H+](C)C1 76598301 572380146 /nfs/dbraw/zinc/38/01/46/572380146.db2.gz PKFMEEXUAPEQCD-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)[NH2+][C@H]1CCCC[N@@H+](C)C1 76598301 572380151 /nfs/dbraw/zinc/38/01/51/572380151.db2.gz PKFMEEXUAPEQCD-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[C@@H]1CC[N@H+](C)C[C@@H]1[NH3+] 76598322 572380248 /nfs/dbraw/zinc/38/02/48/572380248.db2.gz ORWWPMWDBHLCCU-GUBZILKMSA-N 2 2 170.300 1.312 10 0 ADAELP CC[C@H](C)[C@@H]1CC[N@@H+](C)C[C@@H]1[NH3+] 76598322 572380252 /nfs/dbraw/zinc/38/02/52/572380252.db2.gz ORWWPMWDBHLCCU-GUBZILKMSA-N 2 2 170.300 1.312 10 0 ADAELP CCC(CC)[N@H+]1CCC[C@H]1C[NH2+]C 87157699 572381695 /nfs/dbraw/zinc/38/16/95/572381695.db2.gz ZZRLYQDKPFXIGH-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@@H+]1CCC[C@H]1C[NH2+]C 87157699 572381690 /nfs/dbraw/zinc/38/16/90/572381690.db2.gz ZZRLYQDKPFXIGH-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H]1CCCC[N@H+](C)C1 76598294 572381705 /nfs/dbraw/zinc/38/17/05/572381705.db2.gz ZGAVTPLOVNTMHO-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+][C@H]1CCCC[N@@H+](C)C1 76598294 572381708 /nfs/dbraw/zinc/38/17/08/572381708.db2.gz ZGAVTPLOVNTMHO-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC(CC)[N@@H+]1CCC[C@@H]1C[NH2+]C 87157697 572381727 /nfs/dbraw/zinc/38/17/27/572381727.db2.gz ZZRLYQDKPFXIGH-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+]1CCC[C@@H]1C[NH2+]C 87157697 572381730 /nfs/dbraw/zinc/38/17/30/572381730.db2.gz ZZRLYQDKPFXIGH-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH+](C)CC[NH2+]C1(C2CC2)CC1 308005480 572382135 /nfs/dbraw/zinc/38/21/35/572382135.db2.gz GBAOQFYOYXSLJJ-UHFFFAOYSA-N 2 2 168.284 1.080 10 0 ADAELP CC[C@H](C)[C@H]1CC[N@H+](C)C[C@@H]1[NH3+] 76598326 572382617 /nfs/dbraw/zinc/38/26/17/572382617.db2.gz ORWWPMWDBHLCCU-AEJSXWLSSA-N 2 2 170.300 1.312 10 0 ADAELP CC[C@H](C)[C@H]1CC[N@@H+](C)C[C@@H]1[NH3+] 76598326 572382629 /nfs/dbraw/zinc/38/26/29/572382629.db2.gz ORWWPMWDBHLCCU-AEJSXWLSSA-N 2 2 170.300 1.312 10 0 ADAELP CCCn1cc[nH+]c1[C@H](C)[C@@H](C)[NH3+] 87146956 572384001 /nfs/dbraw/zinc/38/40/01/572384001.db2.gz NRTJMRAQBRMUIA-RKDXNWHRSA-N 2 2 181.283 1.744 10 0 ADAELP CC(C)[NH2+][C@@H](C)[C@@H](C)c1[nH+]ccn1C 87145887 572384337 /nfs/dbraw/zinc/38/43/37/572384337.db2.gz OOHLUMWKUSPBIF-ZJUUUORDSA-N 2 2 195.310 1.910 10 0 ADAELP CCCn1cc[nH+]c1[C@@H](C)[C@H](C)[NH3+] 87146958 572384888 /nfs/dbraw/zinc/38/48/88/572384888.db2.gz NRTJMRAQBRMUIA-IUCAKERBSA-N 2 2 181.283 1.744 10 0 ADAELP CCCn1cc[nH+]c1[C@@H](C)[C@@H](C)[NH3+] 87146955 572384936 /nfs/dbraw/zinc/38/49/36/572384936.db2.gz NRTJMRAQBRMUIA-DTWKUNHWSA-N 2 2 181.283 1.744 10 0 ADAELP CC(C)[NH2+][C@H](C)[C@H](C)c1[nH+]ccn1C 87145892 572385000 /nfs/dbraw/zinc/38/50/00/572385000.db2.gz OOHLUMWKUSPBIF-VHSXEESVSA-N 2 2 195.310 1.910 10 0 ADAELP CC(C)[NH2+][C@H](C)[C@@H](C)c1[nH+]ccn1C 87145889 572385172 /nfs/dbraw/zinc/38/51/72/572385172.db2.gz OOHLUMWKUSPBIF-NXEZZACHSA-N 2 2 195.310 1.910 10 0 ADAELP CC(C)[NH2+][C@@H](C)[C@H](C)c1[nH+]ccn1C 87145891 572385366 /nfs/dbraw/zinc/38/53/66/572385366.db2.gz OOHLUMWKUSPBIF-UWVGGRQHSA-N 2 2 195.310 1.910 10 0 ADAELP CCCn1cc[nH+]c1[C@H](C)[C@H](C)[NH3+] 87146960 572385418 /nfs/dbraw/zinc/38/54/18/572385418.db2.gz NRTJMRAQBRMUIA-BDAKNGLRSA-N 2 2 181.283 1.744 10 0 ADAELP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(O)cc1 87183460 572387999 /nfs/dbraw/zinc/38/79/99/572387999.db2.gz POZINIQTPYLWIM-VIFPVBQESA-N 2 2 194.278 1.171 10 0 ADAELP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(O)cc1 87183460 572388000 /nfs/dbraw/zinc/38/80/00/572388000.db2.gz POZINIQTPYLWIM-VIFPVBQESA-N 2 2 194.278 1.171 10 0 ADAELP CCOCn1cc[nH+]c1C[C@@H]([NH3+])CC 83756554 572388306 /nfs/dbraw/zinc/38/83/06/572388306.db2.gz CVLTTYGQQMVLRC-VIFPVBQESA-N 2 2 197.282 1.157 10 0 ADAELP CCC(C)(C)C[C@H](C[NH+](C)C)[NH2+]C 713246247 572388566 /nfs/dbraw/zinc/38/85/66/572388566.db2.gz FGPUELPLOWDJJK-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(O)cc1 87183462 572388938 /nfs/dbraw/zinc/38/89/38/572388938.db2.gz POZINIQTPYLWIM-SECBINFHSA-N 2 2 194.278 1.171 10 0 ADAELP CCC(C)(C)C[C@@H](C[NH+](C)C)[NH2+]C 713246244 572390598 /nfs/dbraw/zinc/39/05/98/572390598.db2.gz FGPUELPLOWDJJK-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP CCOCn1cc[nH+]c1C[C@H]([NH3+])CC 83756555 572390779 /nfs/dbraw/zinc/39/07/79/572390779.db2.gz CVLTTYGQQMVLRC-SECBINFHSA-N 2 2 197.282 1.157 10 0 ADAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1cccnc1 83760568 572393557 /nfs/dbraw/zinc/39/35/57/572393557.db2.gz NTVKSNQWBPHDKX-GXSJLCMTSA-N 2 2 193.294 1.470 10 0 ADAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(C)o1 83760559 572394466 /nfs/dbraw/zinc/39/44/66/572394466.db2.gz QDJMEHKBQMSBBI-WCBMZHEXSA-N 2 2 196.294 1.976 10 0 ADAELP CC[NH2+][C@H](C[NH+](C)C)C(CC)CC 87171123 572394874 /nfs/dbraw/zinc/39/48/74/572394874.db2.gz SHMLZHQMVQGVNQ-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1cccnc1 83760563 572395363 /nfs/dbraw/zinc/39/53/63/572395363.db2.gz NTVKSNQWBPHDKX-ONGXEEELSA-N 2 2 193.294 1.470 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(C)o1 83760553 572396346 /nfs/dbraw/zinc/39/63/46/572396346.db2.gz QDJMEHKBQMSBBI-SCZZXKLOSA-N 2 2 196.294 1.976 10 0 ADAELP CC[NH2+][C@@H](C[NH+](C)C)C(CC)CC 87171124 572396420 /nfs/dbraw/zinc/39/64/20/572396420.db2.gz SHMLZHQMVQGVNQ-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP FCC[NH2+]C[C@@H]1CCCCC[NH2+]1 308009463 572396778 /nfs/dbraw/zinc/39/67/78/572396778.db2.gz OKJLYHMMQBILEX-VIFPVBQESA-N 2 2 174.263 1.078 10 0 ADAELP FCC[NH2+]C[C@H]1CCCCC[NH2+]1 308009459 572397095 /nfs/dbraw/zinc/39/70/95/572397095.db2.gz OKJLYHMMQBILEX-SECBINFHSA-N 2 2 174.263 1.078 10 0 ADAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(C)o1 83760557 572397122 /nfs/dbraw/zinc/39/71/22/572397122.db2.gz QDJMEHKBQMSBBI-PSASIEDQSA-N 2 2 196.294 1.976 10 0 ADAELP CCC(CC)[C@H](C[NH+](C)C)[NH2+]C 87171121 572397523 /nfs/dbraw/zinc/39/75/23/572397523.db2.gz YIUVWZWSCGGCEQ-JTQLQIEISA-N 2 2 172.316 1.572 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1cccnc1 83760560 572397727 /nfs/dbraw/zinc/39/77/27/572397727.db2.gz NTVKSNQWBPHDKX-KOLCDFICSA-N 2 2 193.294 1.470 10 0 ADAELP CCC(CC)[C@@H](C[NH+](C)C)[NH2+]C 87171119 572397996 /nfs/dbraw/zinc/39/79/96/572397996.db2.gz YIUVWZWSCGGCEQ-SNVBAGLBSA-N 2 2 172.316 1.572 10 0 ADAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(C)o1 83760555 572398040 /nfs/dbraw/zinc/39/80/40/572398040.db2.gz QDJMEHKBQMSBBI-WPRPVWTQSA-N 2 2 196.294 1.976 10 0 ADAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1cccnc1 83760566 572398052 /nfs/dbraw/zinc/39/80/52/572398052.db2.gz NTVKSNQWBPHDKX-MWLCHTKSSA-N 2 2 193.294 1.470 10 0 ADAELP CC(C)C[NH2+][C@@H](C[NH3+])c1cccnc1 83761539 572400517 /nfs/dbraw/zinc/40/05/17/572400517.db2.gz SXLVEXGLAVRNFJ-NSHDSACASA-N 2 2 193.294 1.327 10 0 ADAELP CC(C)C[NH2+][C@@H](C[NH3+])c1ccco1 83761781 572398553 /nfs/dbraw/zinc/39/85/53/572398553.db2.gz RTHFOFFSHJLROL-VIFPVBQESA-N 2 2 182.267 1.525 10 0 ADAELP CC(C)C[NH2+][C@H](C[NH3+])c1ccoc1 83762041 572398592 /nfs/dbraw/zinc/39/85/92/572398592.db2.gz UPTFFPBFEZUEQG-SNVBAGLBSA-N 2 2 182.267 1.525 10 0 ADAELP CCOCCC[C@H]([NH3+])Cn1cc[nH+]c1 689629884 572398757 /nfs/dbraw/zinc/39/87/57/572398757.db2.gz POMYBANLRMEHDX-JTQLQIEISA-N 2 2 197.282 1.027 10 0 ADAELP CCC(CC)n1cc[nH+]c1CC[NH3+] 87171809 572399326 /nfs/dbraw/zinc/39/93/26/572399326.db2.gz VSVBZSFXOCVJNT-UHFFFAOYSA-N 2 2 181.283 1.745 10 0 ADAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1ccccc1 83763540 572399500 /nfs/dbraw/zinc/39/95/00/572399500.db2.gz ZNAMRBUZFJZPTH-GFCCVEGCSA-N 2 2 190.290 1.686 10 0 ADAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1cccnc1 83763528 572399673 /nfs/dbraw/zinc/39/96/73/572399673.db2.gz RYBWGRQZBHWDRW-LLVKDONJSA-N 2 2 191.278 1.081 10 0 ADAELP C[NH2+]CC[C@H](C)c1cn(C)c[nH+]1 308014943 572399724 /nfs/dbraw/zinc/39/97/24/572399724.db2.gz RCLSWXXAQFTZAE-QMMMGPOBSA-N 2 2 167.256 1.133 10 0 ADAELP CCOCCC[C@@H]([NH3+])Cn1cc[nH+]c1 689629885 572399958 /nfs/dbraw/zinc/39/99/58/572399958.db2.gz POMYBANLRMEHDX-SNVBAGLBSA-N 2 2 197.282 1.027 10 0 ADAELP C[NH2+]CC[C@@H](C)c1cn(C)c[nH+]1 308014942 572400077 /nfs/dbraw/zinc/40/00/77/572400077.db2.gz RCLSWXXAQFTZAE-MRVPVSSYSA-N 2 2 167.256 1.133 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccoc1 83761267 572400089 /nfs/dbraw/zinc/40/00/89/572400089.db2.gz QKYLHGAKBPDJDK-SCZZXKLOSA-N 2 2 182.267 1.668 10 0 ADAELP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccoc1 83761269 572400175 /nfs/dbraw/zinc/40/01/75/572400175.db2.gz QKYLHGAKBPDJDK-WPRPVWTQSA-N 2 2 182.267 1.668 10 0 ADAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1cccs1 83763347 572400229 /nfs/dbraw/zinc/40/02/29/572400229.db2.gz GDRUNBVACBANQJ-VIFPVBQESA-N 2 2 196.319 1.748 10 0 ADAELP CC(C)C[NH2+][C@H](C[NH3+])c1cccs1 83761382 572400314 /nfs/dbraw/zinc/40/03/14/572400314.db2.gz JZGXWEPZDLKZBL-SECBINFHSA-N 2 2 198.335 1.994 10 0 ADAELP CC(C)C[NH2+][C@H](C[NH3+])c1cccnc1 83761540 572400356 /nfs/dbraw/zinc/40/03/56/572400356.db2.gz SXLVEXGLAVRNFJ-LLVKDONJSA-N 2 2 193.294 1.327 10 0 ADAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1ccco1 83763761 572400638 /nfs/dbraw/zinc/40/06/38/572400638.db2.gz LRHJYAUKKFLXPG-VIFPVBQESA-N 2 2 180.251 1.279 10 0 ADAELP CC(C)C[NH2+][C@@H](C[NH3+])c1ccsc1 83762064 572400796 /nfs/dbraw/zinc/40/07/96/572400796.db2.gz LSXNGYBGQXFQAV-JTQLQIEISA-N 2 2 198.335 1.994 10 0 ADAELP CC(C)C[NH2+][C@@H](C[NH3+])c1cccs1 83761381 572400916 /nfs/dbraw/zinc/40/09/16/572400916.db2.gz JZGXWEPZDLKZBL-VIFPVBQESA-N 2 2 198.335 1.994 10 0 ADAELP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccoc1 83761271 572401061 /nfs/dbraw/zinc/40/10/61/572401061.db2.gz QKYLHGAKBPDJDK-PSASIEDQSA-N 2 2 182.267 1.668 10 0 ADAELP CC[C@H](C)[NH2+][C@H](C[NH3+])c1ccoc1 83761272 572401287 /nfs/dbraw/zinc/40/12/87/572401287.db2.gz QKYLHGAKBPDJDK-WCBMZHEXSA-N 2 2 182.267 1.668 10 0 ADAELP CC(C)C[NH2+][C@@H](C[NH3+])c1ccoc1 83762037 572401159 /nfs/dbraw/zinc/40/11/59/572401159.db2.gz UPTFFPBFEZUEQG-JTQLQIEISA-N 2 2 182.267 1.525 10 0 ADAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1cccs1 83763345 572401740 /nfs/dbraw/zinc/40/17/40/572401740.db2.gz GDRUNBVACBANQJ-SECBINFHSA-N 2 2 196.319 1.748 10 0 ADAELP Cc1ccc([C@H](C[NH3+])[NH2+]CC(C)C)o1 83761536 572401962 /nfs/dbraw/zinc/40/19/62/572401962.db2.gz MSZIMUPMZXGOKS-JTQLQIEISA-N 2 2 196.294 1.833 10 0 ADAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1cccnc1 83763529 572401986 /nfs/dbraw/zinc/40/19/86/572401986.db2.gz RYBWGRQZBHWDRW-NSHDSACASA-N 2 2 191.278 1.081 10 0 ADAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1ccoc1 83763949 572402002 /nfs/dbraw/zinc/40/20/02/572402002.db2.gz KVZDRPUKAKBJNA-SNVBAGLBSA-N 2 2 180.251 1.279 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])[NH2+]CC2CC2)o1 83763523 572402229 /nfs/dbraw/zinc/40/22/29/572402229.db2.gz AQQJRYNSRAGHJC-SNVBAGLBSA-N 2 2 194.278 1.587 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CCCC1)c1ccco1 83762551 572402361 /nfs/dbraw/zinc/40/23/61/572402361.db2.gz VFGNKUGNKXMJRU-SNVBAGLBSA-N 2 2 194.278 1.812 10 0 ADAELP Cc1ccc([C@H](C[NH3+])[NH2+]CC2CC2)o1 83763525 572402442 /nfs/dbraw/zinc/40/24/42/572402442.db2.gz AQQJRYNSRAGHJC-JTQLQIEISA-N 2 2 194.278 1.587 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CCCC1)c1ccco1 83762554 572402649 /nfs/dbraw/zinc/40/26/49/572402649.db2.gz VFGNKUGNKXMJRU-JTQLQIEISA-N 2 2 194.278 1.812 10 0 ADAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1ccccc1 83763542 572402700 /nfs/dbraw/zinc/40/27/00/572402700.db2.gz ZNAMRBUZFJZPTH-LBPRGKRZSA-N 2 2 190.290 1.686 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CCCC1)c1ccoc1 83762752 572403604 /nfs/dbraw/zinc/40/36/04/572403604.db2.gz BTGMPTKXGRWRNJ-NSHDSACASA-N 2 2 194.278 1.812 10 0 ADAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1ccsc1 83763967 572402792 /nfs/dbraw/zinc/40/27/92/572402792.db2.gz XCVRFGFNGANXJC-SNVBAGLBSA-N 2 2 196.319 1.748 10 0 ADAELP CC(C)C[NH2+][C@H](C[NH3+])c1ccsc1 83762067 572403005 /nfs/dbraw/zinc/40/30/05/572403005.db2.gz LSXNGYBGQXFQAV-SNVBAGLBSA-N 2 2 198.335 1.994 10 0 ADAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1ccoc1 83763951 572403032 /nfs/dbraw/zinc/40/30/32/572403032.db2.gz KVZDRPUKAKBJNA-JTQLQIEISA-N 2 2 180.251 1.279 10 0 ADAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1ccsc1 83763969 572403088 /nfs/dbraw/zinc/40/30/88/572403088.db2.gz XCVRFGFNGANXJC-JTQLQIEISA-N 2 2 196.319 1.748 10 0 ADAELP [NH3+]C[C@@H]([NH2+]CC1CC1)c1ccco1 83763759 572403266 /nfs/dbraw/zinc/40/32/66/572403266.db2.gz LRHJYAUKKFLXPG-SECBINFHSA-N 2 2 180.251 1.279 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CCCC1)c1ccoc1 83762750 572403379 /nfs/dbraw/zinc/40/33/79/572403379.db2.gz BTGMPTKXGRWRNJ-LLVKDONJSA-N 2 2 194.278 1.812 10 0 ADAELP CC(C)C[NH2+][C@H](C[NH3+])c1ccco1 83761783 572403577 /nfs/dbraw/zinc/40/35/77/572403577.db2.gz RTHFOFFSHJLROL-SECBINFHSA-N 2 2 182.267 1.525 10 0 ADAELP C[N@@H+]1CC[C@@H]2CCC(C)(C)[NH2+][C@H]2C1 76607683 572403843 /nfs/dbraw/zinc/40/38/43/572403843.db2.gz JMCOVUHGRUYWOK-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CC[C@@H]2CCC(C)(C)[NH2+][C@H]2C1 76607683 572403847 /nfs/dbraw/zinc/40/38/47/572403847.db2.gz JMCOVUHGRUYWOK-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+]1CC[C@H]2[C@H](C1)[NH2+]CCC2(C)C 76607528 572404089 /nfs/dbraw/zinc/40/40/89/572404089.db2.gz WHDWCXTXDDNUJC-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@H+]1CC[C@H]2[C@H](C1)[NH2+]CCC2(C)C 76607528 572404095 /nfs/dbraw/zinc/40/40/95/572404095.db2.gz WHDWCXTXDDNUJC-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP [NH3+]C1(C[NH2+]CCF)CCCCC1 308015663 572404106 /nfs/dbraw/zinc/40/41/06/572404106.db2.gz RGDGAJGNKLNNRM-UHFFFAOYSA-N 2 2 174.263 1.207 10 0 ADAELP C[N@@H+]1CC[C@@H]2[C@@H](C1)[NH2+]CCC2(C)C 76607537 572404210 /nfs/dbraw/zinc/40/42/10/572404210.db2.gz WHDWCXTXDDNUJC-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@H+]1CC[C@@H]2[C@@H](C1)[NH2+]CCC2(C)C 76607537 572404213 /nfs/dbraw/zinc/40/42/13/572404213.db2.gz WHDWCXTXDDNUJC-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@@H+]1CCC[C@@]2(CCC(C)(C)[NH2+]2)C1 76607652 572404243 /nfs/dbraw/zinc/40/42/43/572404243.db2.gz ALLBIGMIOKKKBK-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCC[C@@]2(CCC(C)(C)[NH2+]2)C1 76607652 572404246 /nfs/dbraw/zinc/40/42/46/572404246.db2.gz ALLBIGMIOKKKBK-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+]1CCCC[C@H]([NH2+]CC2CC2)C1 76607635 572406095 /nfs/dbraw/zinc/40/60/95/572406095.db2.gz JWVWXCVVSAXAJO-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CCCC[C@H]([NH2+]CC2CC2)C1 76607635 572406100 /nfs/dbraw/zinc/40/61/00/572406100.db2.gz JWVWXCVVSAXAJO-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+]1CCCC[C@@H]([NH2+]CC2CC2)C1 76607637 572406128 /nfs/dbraw/zinc/40/61/28/572406128.db2.gz JWVWXCVVSAXAJO-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CCCC[C@@H]([NH2+]CC2CC2)C1 76607637 572406132 /nfs/dbraw/zinc/40/61/32/572406132.db2.gz JWVWXCVVSAXAJO-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+]1CC[C@H]2CCC(C)(C)[NH2+][C@H]2C1 76607681 572406432 /nfs/dbraw/zinc/40/64/32/572406432.db2.gz JMCOVUHGRUYWOK-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CC[C@H]2CCC(C)(C)[NH2+][C@H]2C1 76607681 572406434 /nfs/dbraw/zinc/40/64/34/572406434.db2.gz JMCOVUHGRUYWOK-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+]1CCC[C@]2(CCC(C)(C)[NH2+]2)C1 76607650 572406453 /nfs/dbraw/zinc/40/64/53/572406453.db2.gz ALLBIGMIOKKKBK-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCC[C@]2(CCC(C)(C)[NH2+]2)C1 76607650 572406457 /nfs/dbraw/zinc/40/64/57/572406457.db2.gz ALLBIGMIOKKKBK-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+]1CC[C@@H]2[C@H](C1)[NH2+]CCC2(C)C 76607534 572406710 /nfs/dbraw/zinc/40/67/10/572406710.db2.gz WHDWCXTXDDNUJC-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@H+]1CC[C@@H]2[C@H](C1)[NH2+]CCC2(C)C 76607534 572406719 /nfs/dbraw/zinc/40/67/19/572406719.db2.gz WHDWCXTXDDNUJC-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@@H+]1CC[C@H]2[C@@H](C1)[NH2+]CCC2(C)C 76607530 572406734 /nfs/dbraw/zinc/40/67/34/572406734.db2.gz WHDWCXTXDDNUJC-VHSXEESVSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@H+]1CC[C@H]2[C@@H](C1)[NH2+]CCC2(C)C 76607530 572406739 /nfs/dbraw/zinc/40/67/39/572406739.db2.gz WHDWCXTXDDNUJC-VHSXEESVSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)[NH3+])C1 44384192 572408214 /nfs/dbraw/zinc/40/82/14/572408214.db2.gz DXJNAFJOTOOVTQ-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCC[C@@H]([N@H+](C)C[C@@H](C)[NH3+])C1 44384192 572408218 /nfs/dbraw/zinc/40/82/18/572408218.db2.gz DXJNAFJOTOOVTQ-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CCC(C)(C)C1 87252154 572408256 /nfs/dbraw/zinc/40/82/56/572408256.db2.gz CFQRIRIWCWVNGC-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[NH2+]CC[N@H+]1CCC(C)(C)C1 87252154 572408259 /nfs/dbraw/zinc/40/82/59/572408259.db2.gz CFQRIRIWCWVNGC-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[NH2+]CC[N@H+](C)C1CC1 44380701 572408359 /nfs/dbraw/zinc/40/83/59/572408359.db2.gz UFIABAWHCOFCPW-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)C1CC1 44380701 572408363 /nfs/dbraw/zinc/40/83/63/572408363.db2.gz UFIABAWHCOFCPW-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC[NH2+]CC[N@@H+]1CCC(C)(C)C1 87252250 572408966 /nfs/dbraw/zinc/40/89/66/572408966.db2.gz AMLUXLSRYISCLB-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CC[NH2+]CC[N@H+]1CCC(C)(C)C1 87252250 572408970 /nfs/dbraw/zinc/40/89/70/572408970.db2.gz AMLUXLSRYISCLB-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP C[C@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)[NH3+])C1 44384184 572409061 /nfs/dbraw/zinc/40/90/61/572409061.db2.gz DXJNAFJOTOOVTQ-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCC[C@H]([N@H+](C)C[C@@H](C)[NH3+])C1 44384184 572409063 /nfs/dbraw/zinc/40/90/63/572409063.db2.gz DXJNAFJOTOOVTQ-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CCC1(CC)CC[N@H+](CC(N)=[NH2+])C1 87254822 572409115 /nfs/dbraw/zinc/40/91/15/572409115.db2.gz NVWCOYRFCJRXRF-UHFFFAOYSA-N 2 2 183.299 1.434 10 0 ADAELP CCC1(CC)CC[N@@H+](CC(N)=[NH2+])C1 87254822 572409122 /nfs/dbraw/zinc/40/91/22/572409122.db2.gz NVWCOYRFCJRXRF-UHFFFAOYSA-N 2 2 183.299 1.434 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 87251991 572410464 /nfs/dbraw/zinc/41/04/64/572410464.db2.gz FWZOODUYXURQBB-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CCC(C)(C)C1 87251991 572410467 /nfs/dbraw/zinc/41/04/67/572410467.db2.gz FWZOODUYXURQBB-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC1(C)CC[N@H+](CC[NH2+]C2CC2)C1 87252271 572410920 /nfs/dbraw/zinc/41/09/20/572410920.db2.gz HAQXFUBICQWBMC-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC1(C)CC[N@@H+](CC[NH2+]C2CC2)C1 87252271 572410922 /nfs/dbraw/zinc/41/09/22/572410922.db2.gz HAQXFUBICQWBMC-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCC(C)(C)C1 87259018 572412967 /nfs/dbraw/zinc/41/29/67/572412967.db2.gz KTEYQMPRMTYTKT-LLVKDONJSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCC(C)(C)C1 87259018 572412972 /nfs/dbraw/zinc/41/29/72/572412972.db2.gz KTEYQMPRMTYTKT-LLVKDONJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+]1CCC(C)(C)C1 87259002 572413455 /nfs/dbraw/zinc/41/34/55/572413455.db2.gz MBFKAJVSLQKQRO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+]1CCC(C)(C)C1 87259002 572413461 /nfs/dbraw/zinc/41/34/61/572413461.db2.gz MBFKAJVSLQKQRO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C1CCCC1 250321062 572413509 /nfs/dbraw/zinc/41/35/09/572413509.db2.gz NCQBPTAXABNDOE-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C1CCCC1 250321062 572413512 /nfs/dbraw/zinc/41/35/12/572413512.db2.gz NCQBPTAXABNDOE-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH3+])[C@H]1C1CCCC1 250321058 572413531 /nfs/dbraw/zinc/41/35/31/572413531.db2.gz NCQBPTAXABNDOE-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH3+])[C@H]1C1CCCC1 250321058 572413536 /nfs/dbraw/zinc/41/35/36/572413536.db2.gz NCQBPTAXABNDOE-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCC(C)(C)C1 87259021 572413604 /nfs/dbraw/zinc/41/36/04/572413604.db2.gz KTEYQMPRMTYTKT-NSHDSACASA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCC(C)(C)C1 87259021 572413609 /nfs/dbraw/zinc/41/36/09/572413609.db2.gz KTEYQMPRMTYTKT-NSHDSACASA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+]1CCC(C)(C)C1 87259000 572413757 /nfs/dbraw/zinc/41/37/57/572413757.db2.gz MBFKAJVSLQKQRO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@H+]1CCC(C)(C)C1 87259000 572413760 /nfs/dbraw/zinc/41/37/60/572413760.db2.gz MBFKAJVSLQKQRO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[NH2+][C@H]1CCCC[N@H+](C)C1 76629642 572415212 /nfs/dbraw/zinc/41/52/12/572415212.db2.gz RETDYYJHASQDDC-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[NH2+][C@H]1CCCC[N@@H+](C)C1 76629642 572415215 /nfs/dbraw/zinc/41/52/15/572415215.db2.gz RETDYYJHASQDDC-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH2+]Cc1c[nH+]c([C@@H]2C[C@H]2C)[nH]1 83810694 572416038 /nfs/dbraw/zinc/41/60/38/572416038.db2.gz FPHCJCRXCBSERN-VXNVDRBHSA-N 2 2 179.267 1.643 10 0 ADAELP CC[NH2+]Cc1c[nH+]c([C@H]2C[C@H]2C)[nH]1 83810695 572416231 /nfs/dbraw/zinc/41/62/31/572416231.db2.gz FPHCJCRXCBSERN-APPZFPTMSA-N 2 2 179.267 1.643 10 0 ADAELP CC[NH2+]Cc1c[nH+]c([C@@H]2C[C@@H]2C)[nH]1 83810692 572416758 /nfs/dbraw/zinc/41/67/58/572416758.db2.gz FPHCJCRXCBSERN-IONNQARKSA-N 2 2 179.267 1.643 10 0 ADAELP CC[NH2+]Cc1c[nH+]c([C@H]2C[C@@H]2C)[nH]1 83810693 572416939 /nfs/dbraw/zinc/41/69/39/572416939.db2.gz FPHCJCRXCBSERN-CBAPKCEASA-N 2 2 179.267 1.643 10 0 ADAELP [NH3+]CCCc1[nH]cc(-c2ccoc2)[nH+]1 87290870 572417228 /nfs/dbraw/zinc/41/72/28/572417228.db2.gz ZGTFZESJUQFEAZ-UHFFFAOYSA-N 2 2 191.234 1.561 10 0 ADAELP C[NH2+]CC[NH2+]Cc1cscc1C 87310321 572417260 /nfs/dbraw/zinc/41/72/60/572417260.db2.gz SJCJGXZZXRUZEF-UHFFFAOYSA-N 2 2 184.308 1.366 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+]Cc1cscc1C 87310230 572417553 /nfs/dbraw/zinc/41/75/53/572417553.db2.gz NOGWHVSQMOSGEJ-VIFPVBQESA-N 2 2 198.335 1.754 10 0 ADAELP C[NH2+][C@H](C)C[NH2+]Cc1cscc1C 87310229 572417965 /nfs/dbraw/zinc/41/79/65/572417965.db2.gz NOGWHVSQMOSGEJ-SECBINFHSA-N 2 2 198.335 1.754 10 0 ADAELP CC[NH2+]CC[NH2+]Cc1cscc1C 87310353 572417979 /nfs/dbraw/zinc/41/79/79/572417979.db2.gz UONLEBAQVPYHDI-UHFFFAOYSA-N 2 2 198.335 1.756 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCCC[N@H+](C)C1 76629636 572417982 /nfs/dbraw/zinc/41/79/82/572417982.db2.gz RETDYYJHASQDDC-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCCC[N@@H+](C)C1 76629636 572417990 /nfs/dbraw/zinc/41/79/90/572417990.db2.gz RETDYYJHASQDDC-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCc1ccsc1C[NH2+]CC[NH2+]C 87310139 572418048 /nfs/dbraw/zinc/41/80/48/572418048.db2.gz GEVLLHVXELNHIF-UHFFFAOYSA-N 2 2 198.335 1.620 10 0 ADAELP CC(C)(C)C[N@@H+]1CCC[C@@H]1C(=[NH2+])NO 713248156 572418465 /nfs/dbraw/zinc/41/84/65/572418465.db2.gz FAIZEJVYILPBSK-MRVPVSSYSA-N 2 2 199.298 1.453 10 0 ADAELP CC(C)(C)C[N@H+]1CCC[C@@H]1C(=[NH2+])NO 713248156 572418471 /nfs/dbraw/zinc/41/84/71/572418471.db2.gz FAIZEJVYILPBSK-MRVPVSSYSA-N 2 2 199.298 1.453 10 0 ADAELP [NH3+]CCc1[nH+]ccn1CC1CCC1 83841955 572419199 /nfs/dbraw/zinc/41/91/99/572419199.db2.gz URBQAJUUJNJIMQ-UHFFFAOYSA-N 2 2 179.267 1.184 10 0 ADAELP CC[N@H+](Cc1ccccn1)[C@@H](C)C[NH3+] 87330944 572419719 /nfs/dbraw/zinc/41/97/19/572419719.db2.gz ZBJIVJFXWHBGAV-JTQLQIEISA-N 2 2 193.294 1.251 10 0 ADAELP CC[N@@H+](Cc1ccccn1)[C@@H](C)C[NH3+] 87330944 572419722 /nfs/dbraw/zinc/41/97/22/572419722.db2.gz ZBJIVJFXWHBGAV-JTQLQIEISA-N 2 2 193.294 1.251 10 0 ADAELP Cc1cc(F)cc(C)c1[C@H]([NH3+])C[NH3+] 44471215 572422740 /nfs/dbraw/zinc/42/27/40/572422740.db2.gz GPMVLIMHRMJSAB-SECBINFHSA-N 2 2 182.242 1.401 10 0 ADAELP CC(C)(C)C[N@@H+]1CCC[C@H]1C(=[NH2+])NO 713248158 572420682 /nfs/dbraw/zinc/42/06/82/572420682.db2.gz FAIZEJVYILPBSK-QMMMGPOBSA-N 2 2 199.298 1.453 10 0 ADAELP CC(C)(C)C[N@H+]1CCC[C@H]1C(=[NH2+])NO 713248158 572420686 /nfs/dbraw/zinc/42/06/86/572420686.db2.gz FAIZEJVYILPBSK-QMMMGPOBSA-N 2 2 199.298 1.453 10 0 ADAELP CC[NH2+]C1=C(C[NH+](C)C)CCCC1 196630320 572423876 /nfs/dbraw/zinc/42/38/76/572423876.db2.gz OUZCVQAFGDKXBQ-UHFFFAOYSA-N 2 2 182.311 1.986 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1cc2ccccc2[nH]1 44473988 572421601 /nfs/dbraw/zinc/42/16/01/572421601.db2.gz SAUCYMLZSZKWIG-MRVPVSSYSA-N 2 2 175.235 1.126 10 0 ADAELP Cc1ccc2[nH]cc([C@@H]([NH3+])C[NH3+])c2c1 44471919 572421838 /nfs/dbraw/zinc/42/18/38/572421838.db2.gz OMYZHTLWSUZIJG-JTQLQIEISA-N 2 2 189.262 1.435 10 0 ADAELP Cc1ccc2c([C@H]([NH3+])C[NH3+])c[nH]c2c1 44472664 572421971 /nfs/dbraw/zinc/42/19/71/572421971.db2.gz OXKMXIVCUYYFLN-SNVBAGLBSA-N 2 2 189.262 1.435 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cnc2ccccc2c1 44469158 572422167 /nfs/dbraw/zinc/42/21/67/572422167.db2.gz XRRVLUVJQVBZPL-JTQLQIEISA-N 2 2 187.246 1.193 10 0 ADAELP Cn1c([C@H]([NH3+])C[NH3+])cc2ccccc21 44472203 572422240 /nfs/dbraw/zinc/42/22/40/572422240.db2.gz JHAUOMPRRSYHNN-SECBINFHSA-N 2 2 189.262 1.137 10 0 ADAELP Cc1c([C@H]([NH3+])C[NH3+])[nH]c2ccccc12 44473436 572422524 /nfs/dbraw/zinc/42/25/24/572422524.db2.gz FLVUFGZDBVCQSU-SECBINFHSA-N 2 2 189.262 1.435 10 0 ADAELP CCC[C@@H]([NH3+])[C@@H]([NH3+])c1ccccc1 210619994 572422526 /nfs/dbraw/zinc/42/25/26/572422526.db2.gz VHHGZJRVUTWUCK-MNOVXSKESA-N 2 2 178.279 1.814 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1c[nH]c2cc(F)ccc12 44469704 572422706 /nfs/dbraw/zinc/42/27/06/572422706.db2.gz XOMRADRKUXVHMU-VIFPVBQESA-N 2 2 193.225 1.266 10 0 ADAELP Cc1ccc2[nH]cc([C@H]([NH3+])C[NH3+])c2c1 44471916 572422866 /nfs/dbraw/zinc/42/28/66/572422866.db2.gz OMYZHTLWSUZIJG-SNVBAGLBSA-N 2 2 189.262 1.435 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])sc1C 44471757 572422919 /nfs/dbraw/zinc/42/29/19/572422919.db2.gz RJIYBXGVTVESLR-ZETCQYMHSA-N 2 2 170.281 1.323 10 0 ADAELP CC[N@H+](Cc1ccccn1)[C@H](C)C[NH3+] 87330945 572422985 /nfs/dbraw/zinc/42/29/85/572422985.db2.gz ZBJIVJFXWHBGAV-SNVBAGLBSA-N 2 2 193.294 1.251 10 0 ADAELP CC[N@@H+](Cc1ccccn1)[C@H](C)C[NH3+] 87330945 572422991 /nfs/dbraw/zinc/42/29/91/572422991.db2.gz ZBJIVJFXWHBGAV-SNVBAGLBSA-N 2 2 193.294 1.251 10 0 ADAELP Cn1c([C@@H]([NH3+])C[NH3+])cc2ccccc21 44472206 572423220 /nfs/dbraw/zinc/42/32/20/572423220.db2.gz JHAUOMPRRSYHNN-VIFPVBQESA-N 2 2 189.262 1.137 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1c[nH]c2ccc(F)cc12 44472608 572423417 /nfs/dbraw/zinc/42/34/17/572423417.db2.gz BOUKZXRKRSHTTA-SECBINFHSA-N 2 2 193.225 1.266 10 0 ADAELP Cc1oc2ccccc2c1[C@H]([NH3+])C[NH3+] 44473380 572423488 /nfs/dbraw/zinc/42/34/88/572423488.db2.gz XXHVJLBYHBHTMT-SECBINFHSA-N 2 2 190.246 1.700 10 0 ADAELP Cc1c([C@@H]([NH3+])C[NH3+])[nH]c2ccccc12 44473439 572423509 /nfs/dbraw/zinc/42/35/09/572423509.db2.gz FLVUFGZDBVCQSU-VIFPVBQESA-N 2 2 189.262 1.435 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc2ccccc2[nH]1 44473991 572423672 /nfs/dbraw/zinc/42/36/72/572423672.db2.gz SAUCYMLZSZKWIG-QMMMGPOBSA-N 2 2 175.235 1.126 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])sc1C 44471754 572424214 /nfs/dbraw/zinc/42/42/14/572424214.db2.gz RJIYBXGVTVESLR-SSDOTTSWSA-N 2 2 170.281 1.323 10 0 ADAELP [NH3+]CCC1(Cn2cc[nH+]c2)CC1 83853685 572424583 /nfs/dbraw/zinc/42/45/83/572424583.db2.gz KDKUFERKVAHRBZ-UHFFFAOYSA-N 2 2 165.240 1.012 10 0 ADAELP Cc1ccc2c([C@@H]([NH3+])C[NH3+])c[nH]c2c1 44472667 572424659 /nfs/dbraw/zinc/42/46/59/572424659.db2.gz OXKMXIVCUYYFLN-JTQLQIEISA-N 2 2 189.262 1.435 10 0 ADAELP Cc1oc2ccccc2c1[C@@H]([NH3+])C[NH3+] 44473384 572424675 /nfs/dbraw/zinc/42/46/75/572424675.db2.gz XXHVJLBYHBHTMT-VIFPVBQESA-N 2 2 190.246 1.700 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1c[nH]c2ccc(F)cc12 44472611 572424776 /nfs/dbraw/zinc/42/47/76/572424776.db2.gz BOUKZXRKRSHTTA-VIFPVBQESA-N 2 2 193.225 1.266 10 0 ADAELP Cc1ccc2[nH]c([C@@H]([NH3+])C[NH3+])cc2c1 44476703 572425236 /nfs/dbraw/zinc/42/52/36/572425236.db2.gz NWLOYZCXAFFVDP-VIFPVBQESA-N 2 2 189.262 1.435 10 0 ADAELP Cc1cccc2cc([C@@H]([NH3+])C[NH3+])[nH]c12 44476708 572425337 /nfs/dbraw/zinc/42/53/37/572425337.db2.gz XIQVVMGCEFAMEV-VIFPVBQESA-N 2 2 189.262 1.435 10 0 ADAELP Cc1cccc2[nH]cc([C@H]([NH3+])C[NH3+])c12 44477059 572425592 /nfs/dbraw/zinc/42/55/92/572425592.db2.gz BGSNWBJDDVFNNF-SECBINFHSA-N 2 2 189.262 1.435 10 0 ADAELP C[NH2+]C1=C(C[NH+](C)C)CCCC1 196630285 572425603 /nfs/dbraw/zinc/42/56/03/572425603.db2.gz YALOBQIIYKLDOM-UHFFFAOYSA-N 2 2 168.284 1.596 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1cc2cc(F)ccc2[nH]1 44476910 572425674 /nfs/dbraw/zinc/42/56/74/572425674.db2.gz JDDUPOOJFHLUNY-MRVPVSSYSA-N 2 2 193.225 1.266 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc2cc(F)ccc2[nH]1 44476913 572425991 /nfs/dbraw/zinc/42/59/91/572425991.db2.gz JDDUPOOJFHLUNY-QMMMGPOBSA-N 2 2 193.225 1.266 10 0 ADAELP C[C@H](C[NH2+]C1CCC1)[NH+](C)C 44481861 572426267 /nfs/dbraw/zinc/42/62/67/572426267.db2.gz HPKMKACPGIHSHY-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]CC/C=C/c1ccc[nH+]c1N 83823398 572428228 /nfs/dbraw/zinc/42/82/28/572428228.db2.gz CQTPLZVNAKEUGT-GORDUTHDSA-N 2 2 177.251 1.287 10 0 ADAELP Cc1ccc2[nH]c([C@H]([NH3+])C[NH3+])cc2c1 44476700 572427175 /nfs/dbraw/zinc/42/71/75/572427175.db2.gz NWLOYZCXAFFVDP-SECBINFHSA-N 2 2 189.262 1.435 10 0 ADAELP Cc1cccc2cc([C@H]([NH3+])C[NH3+])[nH]c12 44476706 572427503 /nfs/dbraw/zinc/42/75/03/572427503.db2.gz XIQVVMGCEFAMEV-SECBINFHSA-N 2 2 189.262 1.435 10 0 ADAELP Cc1cccc2[nH]cc([C@@H]([NH3+])C[NH3+])c12 44477062 572428031 /nfs/dbraw/zinc/42/80/31/572428031.db2.gz BGSNWBJDDVFNNF-VIFPVBQESA-N 2 2 189.262 1.435 10 0 ADAELP C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C 83823962 572430107 /nfs/dbraw/zinc/43/01/07/572430107.db2.gz AEFBGCQJKBTCIQ-LBPRGKRZSA-N 2 2 192.306 1.379 10 0 ADAELP C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C 83823963 572430359 /nfs/dbraw/zinc/43/03/59/572430359.db2.gz AEFBGCQJKBTCIQ-GFCCVEGCSA-N 2 2 192.306 1.379 10 0 ADAELP Cn1cc[nH+]c1CC[NH2+]CC1CCC1 83838610 572432900 /nfs/dbraw/zinc/43/29/00/572432900.db2.gz WYTRBNLWOMJRSP-UHFFFAOYSA-N 2 2 193.294 1.352 10 0 ADAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CC1CCC1 83838500 572433013 /nfs/dbraw/zinc/43/30/13/572433013.db2.gz AHTGEGBIPSJACP-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP Cc1c(C[NH3+])cc(-c2[nH]cc[nH+]2)n1C 76634499 572433160 /nfs/dbraw/zinc/43/31/60/572433160.db2.gz DJFCHJSSCLWYLM-UHFFFAOYSA-N 2 2 190.250 1.182 10 0 ADAELP C[C@H](C[NH2+]CC1CCC1)[NH+](C)C 83838604 572433868 /nfs/dbraw/zinc/43/38/68/572433868.db2.gz JHUDODMMCXIGRS-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[N@H+](Cc1ccco1)CC1([NH3+])CC1 83837026 572433923 /nfs/dbraw/zinc/43/39/23/572433923.db2.gz XLNYDYARZYYDNV-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP CC[N@@H+](Cc1ccco1)CC1([NH3+])CC1 83837026 572433924 /nfs/dbraw/zinc/43/39/24/572433924.db2.gz XLNYDYARZYYDNV-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCC1 83838505 572433942 /nfs/dbraw/zinc/43/39/42/572433942.db2.gz WQIWXCHFJJGQPV-SNVBAGLBSA-N 2 2 193.294 1.661 10 0 ADAELP Cc1occc1C[N@H+](C)CC1([NH3+])CC1 83837033 572434193 /nfs/dbraw/zinc/43/41/93/572434193.db2.gz FKOUJJRVFROHSH-UHFFFAOYSA-N 2 2 194.278 1.511 10 0 ADAELP C1CC(C[NH2+]CC[NH+]2CCCC2)C1 83838701 572434006 /nfs/dbraw/zinc/43/40/06/572434006.db2.gz FPSSNSNQGBCDNW-UHFFFAOYSA-N 2 2 182.311 1.472 10 0 ADAELP Cc1occc1C[N@@H+](C)CC1([NH3+])CC1 83837033 572434189 /nfs/dbraw/zinc/43/41/89/572434189.db2.gz FKOUJJRVFROHSH-UHFFFAOYSA-N 2 2 194.278 1.511 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CC1CCC1 83838501 572434486 /nfs/dbraw/zinc/43/44/86/572434486.db2.gz AHTGEGBIPSJACP-LBPRGKRZSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH+](C)C(C)(C)C[NH2+]CC1CCC1 83838565 572434541 /nfs/dbraw/zinc/43/45/41/572434541.db2.gz KKLBVRHMQHVGOL-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C=C/C=C/CC[NH2+]C[C@H](C)[NH+](C)C 713710934 572434627 /nfs/dbraw/zinc/43/46/27/572434627.db2.gz PMFAQSOSZQAKBV-MLRMMBSGSA-N 2 2 182.311 1.658 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccc(O)cc1 76635554 572434635 /nfs/dbraw/zinc/43/46/35/572434635.db2.gz DCRUFALIVVVDHZ-QWRGUYRKSA-N 2 2 192.262 1.096 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccc(O)cc1 76635554 572434641 /nfs/dbraw/zinc/43/46/41/572434641.db2.gz DCRUFALIVVVDHZ-QWRGUYRKSA-N 2 2 192.262 1.096 10 0 ADAELP C=C/C=C/CC[NH2+]C[C@@H](C)[NH+](C)C 713710935 572434687 /nfs/dbraw/zinc/43/46/87/572434687.db2.gz PMFAQSOSZQAKBV-XUIVZRPNSA-N 2 2 182.311 1.658 10 0 ADAELP CC[N@H+](CC1CCC1)[C@H]1CCC[NH2+]C1 83839939 572434809 /nfs/dbraw/zinc/43/48/09/572434809.db2.gz QRTVEGNBQKAINX-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@@H+](CC1CCC1)[C@H]1CCC[NH2+]C1 83839939 572434811 /nfs/dbraw/zinc/43/48/11/572434811.db2.gz QRTVEGNBQKAINX-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H](C[NH+]1CCCC1)[NH2+]CC1CCC1 83838495 572434931 /nfs/dbraw/zinc/43/49/31/572434931.db2.gz LKJXOPAOJBKIIH-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1ccc(C[N@@H+](C)CC2([NH3+])CC2)o1 83836759 572434958 /nfs/dbraw/zinc/43/49/58/572434958.db2.gz RSLKDOJDRIUJGJ-UHFFFAOYSA-N 2 2 194.278 1.511 10 0 ADAELP Cc1ccc(C[N@H+](C)CC2([NH3+])CC2)o1 83836759 572434961 /nfs/dbraw/zinc/43/49/61/572434961.db2.gz RSLKDOJDRIUJGJ-UHFFFAOYSA-N 2 2 194.278 1.511 10 0 ADAELP C=C/C=C\CC[NH2+]C[C@@H](C)[NH+](C)C 713710929 572434962 /nfs/dbraw/zinc/43/49/62/572434962.db2.gz PMFAQSOSZQAKBV-JMEBYUIHSA-N 2 2 182.311 1.658 10 0 ADAELP CC[C@H](CC[NH3+])CNc1cccc[nH+]1 87374383 572435032 /nfs/dbraw/zinc/43/50/32/572435032.db2.gz YFGZKCSBFNBOKN-SNVBAGLBSA-N 2 2 193.294 1.869 10 0 ADAELP C1CC[NH+](CC[NH2+]CC2CCC2)CC1 83838551 572435149 /nfs/dbraw/zinc/43/51/49/572435149.db2.gz GZKKBQGJSMBKOV-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+]CC1CCC1 83838698 572435158 /nfs/dbraw/zinc/43/51/58/572435158.db2.gz IKBALFDMPADSOK-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+]CC1CCC1 83838698 572435160 /nfs/dbraw/zinc/43/51/60/572435160.db2.gz IKBALFDMPADSOK-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[N@H+](Cc1ccncc1)CC1([NH3+])CC1 83836809 572435179 /nfs/dbraw/zinc/43/51/79/572435179.db2.gz DBWJZPABGHHGPZ-UHFFFAOYSA-N 2 2 191.278 1.005 10 0 ADAELP C[N@@H+](Cc1ccncc1)CC1([NH3+])CC1 83836809 572435181 /nfs/dbraw/zinc/43/51/81/572435181.db2.gz DBWJZPABGHHGPZ-UHFFFAOYSA-N 2 2 191.278 1.005 10 0 ADAELP c1cn(CC[NH2+]CC2CCC2)c[nH+]1 83838481 572435290 /nfs/dbraw/zinc/43/52/90/572435290.db2.gz LJTKCYZODQUIAJ-UHFFFAOYSA-N 2 2 179.267 1.273 10 0 ADAELP C[C@@H](C[NH+]1CCCC1)[NH2+]CC1CCC1 83838494 572435314 /nfs/dbraw/zinc/43/53/14/572435314.db2.gz LKJXOPAOJBKIIH-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+]CC[N@H+](CC)C1CC1 88393593 572435317 /nfs/dbraw/zinc/43/53/17/572435317.db2.gz KLUHOQABAXUOSI-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+]CC[N@@H+](CC)C1CC1 88393593 572435320 /nfs/dbraw/zinc/43/53/20/572435320.db2.gz KLUHOQABAXUOSI-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CC[C@@H](CC[NH3+])CNc1cccc[nH+]1 87374380 572435330 /nfs/dbraw/zinc/43/53/30/572435330.db2.gz YFGZKCSBFNBOKN-JTQLQIEISA-N 2 2 193.294 1.869 10 0 ADAELP C[N@H+](Cc1cccs1)CC1([NH3+])CC1 83836762 572435340 /nfs/dbraw/zinc/43/53/40/572435340.db2.gz YUHTWXUVTUQIDQ-UHFFFAOYSA-N 2 2 196.319 1.671 10 0 ADAELP C[N@@H+](Cc1cccs1)CC1([NH3+])CC1 83836762 572435344 /nfs/dbraw/zinc/43/53/44/572435344.db2.gz YUHTWXUVTUQIDQ-UHFFFAOYSA-N 2 2 196.319 1.671 10 0 ADAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCC1 83838306 572435410 /nfs/dbraw/zinc/43/54/10/572435410.db2.gz CIYQRFBIMZKNEB-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@H+]1CCC[C@@H]1C[NH2+]CC1CCC1 83838306 572435412 /nfs/dbraw/zinc/43/54/12/572435412.db2.gz CIYQRFBIMZKNEB-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@H]1CCCC[N@@H+]1CC1CCC1 83839344 572435461 /nfs/dbraw/zinc/43/54/61/572435461.db2.gz JDBKIYWVHQURTF-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@H]1CCCC[N@H+]1CC1CCC1 83839344 572435465 /nfs/dbraw/zinc/43/54/65/572435465.db2.gz JDBKIYWVHQURTF-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+](CC[NH2+]CC1CCC1)C1CC1 83838719 572435548 /nfs/dbraw/zinc/43/55/48/572435548.db2.gz LNRSBMKNZDPBJC-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+](CC[NH2+]CC1CCC1)C1CC1 83838719 572435552 /nfs/dbraw/zinc/43/55/52/572435552.db2.gz LNRSBMKNZDPBJC-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1ccc(C[NH2+]CC2([NH3+])CC2)o1 83837350 572435632 /nfs/dbraw/zinc/43/56/32/572435632.db2.gz WJFQAIDFLNDIKL-UHFFFAOYSA-N 2 2 180.251 1.169 10 0 ADAELP CC(C)c1[nH]c2c(c1C[NH3+])C[N@@H+](C)C2 214747499 572435689 /nfs/dbraw/zinc/43/56/89/572435689.db2.gz ZCFZRMBKGNGBHG-UHFFFAOYSA-N 2 2 193.294 1.542 10 0 ADAELP CC(C)c1[nH]c2c(c1C[NH3+])C[N@H+](C)C2 214747499 572435690 /nfs/dbraw/zinc/43/56/90/572435690.db2.gz ZCFZRMBKGNGBHG-UHFFFAOYSA-N 2 2 193.294 1.542 10 0 ADAELP C=C/C=C\CC[NH2+]C[C@H](C)[NH+](C)C 713710937 572435778 /nfs/dbraw/zinc/43/57/78/572435778.db2.gz PMFAQSOSZQAKBV-ZADCQDASSA-N 2 2 182.311 1.658 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccc(O)cc1 76635556 572436327 /nfs/dbraw/zinc/43/63/27/572436327.db2.gz DCRUFALIVVVDHZ-MNOVXSKESA-N 2 2 192.262 1.096 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccc(O)cc1 76635556 572436330 /nfs/dbraw/zinc/43/63/30/572436330.db2.gz DCRUFALIVVVDHZ-MNOVXSKESA-N 2 2 192.262 1.096 10 0 ADAELP Cn1ccc([C@@H]2[C@H]([NH3+])CCC[N@@H+]2C)c1 76635905 572436365 /nfs/dbraw/zinc/43/63/65/572436365.db2.gz MKMUGIWLTPVGRS-GHMZBOCLSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1ccc([C@@H]2[C@H]([NH3+])CCC[N@H+]2C)c1 76635905 572436368 /nfs/dbraw/zinc/43/63/68/572436368.db2.gz MKMUGIWLTPVGRS-GHMZBOCLSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1ccc([C@@H]2[C@@H]([NH3+])CCC[N@@H+]2C)c1 76635910 572436463 /nfs/dbraw/zinc/43/64/63/572436463.db2.gz MKMUGIWLTPVGRS-WDEREUQCSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1ccc([C@@H]2[C@@H]([NH3+])CCC[N@H+]2C)c1 76635910 572436468 /nfs/dbraw/zinc/43/64/68/572436468.db2.gz MKMUGIWLTPVGRS-WDEREUQCSA-N 2 2 193.294 1.119 10 0 ADAELP C[N@H+](Cc1cccnc1)CC1([NH3+])CC1 83836807 572436469 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2 2 193.294 1.119 10 0 ADAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CC1CCC1 83839341 572436903 /nfs/dbraw/zinc/43/69/03/572436903.db2.gz JDBKIYWVHQURTF-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@@H]1CCCC[N@H+]1CC1CCC1 83839341 572436906 /nfs/dbraw/zinc/43/69/06/572436906.db2.gz JDBKIYWVHQURTF-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP Cn1ccc([C@H]2[C@H]([NH3+])CCC[N@@H+]2C)c1 76635907 572437046 /nfs/dbraw/zinc/43/70/46/572437046.db2.gz MKMUGIWLTPVGRS-MNOVXSKESA-N 2 2 193.294 1.119 10 0 ADAELP Cn1ccc([C@H]2[C@H]([NH3+])CCC[N@H+]2C)c1 76635907 572437052 /nfs/dbraw/zinc/43/70/52/572437052.db2.gz MKMUGIWLTPVGRS-MNOVXSKESA-N 2 2 193.294 1.119 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCC1 83838503 572437089 /nfs/dbraw/zinc/43/70/89/572437089.db2.gz WQIWXCHFJJGQPV-JTQLQIEISA-N 2 2 193.294 1.661 10 0 ADAELP CC[N@H+](CC1CCC1)[C@@H]1CCC[NH2+]C1 83839938 572437126 /nfs/dbraw/zinc/43/71/26/572437126.db2.gz QRTVEGNBQKAINX-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP 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/nfs/dbraw/zinc/43/82/06/572438206.db2.gz VKFYOWHXJWWUJB-ZETCQYMHSA-N 2 2 198.232 1.608 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)CCC(F)(F)F 83879301 572438209 /nfs/dbraw/zinc/43/82/09/572438209.db2.gz VKFYOWHXJWWUJB-ZETCQYMHSA-N 2 2 198.232 1.608 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)CCC(F)(F)F 83878905 572438340 /nfs/dbraw/zinc/43/83/40/572438340.db2.gz QUSNYDWFYXCDKS-SSDOTTSWSA-N 2 2 198.232 1.608 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)CCC(F)(F)F 83878905 572438343 /nfs/dbraw/zinc/43/83/43/572438343.db2.gz QUSNYDWFYXCDKS-SSDOTTSWSA-N 2 2 198.232 1.608 10 0 ADAELP C[N@@H+]1CCC[C@H]2[C@H](C1)[NH2+]CCC2(C)C 76637057 572438562 /nfs/dbraw/zinc/43/85/62/572438562.db2.gz OFWJWJJOORMOHZ-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[N@H+]1CCC[C@H]2[C@H](C1)[NH2+]CCC2(C)C 76637057 572438567 /nfs/dbraw/zinc/43/85/67/572438567.db2.gz OFWJWJJOORMOHZ-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCC1CC1 83893836 572438607 /nfs/dbraw/zinc/43/86/07/572438607.db2.gz OQMFVWROXRUQAT-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CCC1CC1 83893836 572438610 /nfs/dbraw/zinc/43/86/10/572438610.db2.gz OQMFVWROXRUQAT-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1cn(-c2ccc[nH+]c2C)c(N)[nH+]1 235919197 572438916 /nfs/dbraw/zinc/43/89/16/572438916.db2.gz FBGRUKPJUOJZON-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+]CCC2CC2)C1 83893842 572439003 /nfs/dbraw/zinc/43/90/03/572439003.db2.gz IVODTERGCQZBIP-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+]CCC2CC2)C1 83893842 572439011 /nfs/dbraw/zinc/43/90/11/572439011.db2.gz IVODTERGCQZBIP-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP C[N@H+](CCC(F)(F)F)CC1([NH3+])CC1 83890055 572439126 /nfs/dbraw/zinc/43/91/26/572439126.db2.gz VQQPEEFAGNZCKP-UHFFFAOYSA-N 2 2 196.216 1.362 10 0 ADAELP C[N@@H+](CCC(F)(F)F)CC1([NH3+])CC1 83890055 572439131 /nfs/dbraw/zinc/43/91/31/572439131.db2.gz VQQPEEFAGNZCKP-UHFFFAOYSA-N 2 2 196.216 1.362 10 0 ADAELP 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572439780 /nfs/dbraw/zinc/43/97/80/572439780.db2.gz ZVDXVARSFOOWLM-UHFFFAOYSA-N 2 2 179.267 1.608 10 0 ADAELP C[N@@H+]1CCC[C@@H]2[C@@H](C1)[NH2+]CCC2(C)C 76637064 572441160 /nfs/dbraw/zinc/44/11/60/572441160.db2.gz OFWJWJJOORMOHZ-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP CCCC[NH2+]C[NH2+]CCCC 238239857 572440127 /nfs/dbraw/zinc/44/01/27/572440127.db2.gz BBXAAPMWWDKIJN-UHFFFAOYSA-N 2 2 158.289 1.723 10 0 ADAELP C[N@H+]1CCC[C@@H]2[C@@H](C1)[NH2+]CCC2(C)C 76637064 572441163 /nfs/dbraw/zinc/44/11/63/572441163.db2.gz OFWJWJJOORMOHZ-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP C(CC1CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 83893479 572440211 /nfs/dbraw/zinc/44/02/11/572440211.db2.gz OGABPRJEIJPUIQ-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP C(CC1CC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 83893479 572440216 /nfs/dbraw/zinc/44/02/16/572440216.db2.gz OGABPRJEIJPUIQ-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP Cc1ccc(C[C@H](C[NH3+])[NH+](C)C)s1 74236846 572440305 /nfs/dbraw/zinc/44/03/05/572440305.db2.gz 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10 0 ADAELP C[N@H+]1CCC[C@@H]2[C@H](C1)[NH2+]CCC2(C)C 76637062 572441196 /nfs/dbraw/zinc/44/11/96/572441196.db2.gz OFWJWJJOORMOHZ-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)CCC(F)(F)F 83879039 572441330 /nfs/dbraw/zinc/44/13/30/572441330.db2.gz AHIJVRZOSNMDBP-NKWVEPMBSA-N 2 2 198.232 1.606 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)CCC(F)(F)F 83879039 572441334 /nfs/dbraw/zinc/44/13/34/572441334.db2.gz AHIJVRZOSNMDBP-NKWVEPMBSA-N 2 2 198.232 1.606 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)CCC(F)(F)F 83879044 572441470 /nfs/dbraw/zinc/44/14/70/572441470.db2.gz AHIJVRZOSNMDBP-RQJHMYQMSA-N 2 2 198.232 1.606 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CCC(F)(F)F 83879044 572441473 /nfs/dbraw/zinc/44/14/73/572441473.db2.gz AHIJVRZOSNMDBP-RQJHMYQMSA-N 2 2 198.232 1.606 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]CCC2CC2)C1 83893304 572441647 /nfs/dbraw/zinc/44/16/47/572441647.db2.gz NLNCRVIVJHNXOW-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+]CCC2CC2)C1 83893304 572441656 /nfs/dbraw/zinc/44/16/56/572441656.db2.gz NLNCRVIVJHNXOW-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](CCC2CC2)C1 83895126 572442732 /nfs/dbraw/zinc/44/27/32/572442732.db2.gz VXXXXHNJPBGQDI-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](CCC2CC2)C1 83895126 572442727 /nfs/dbraw/zinc/44/27/27/572442727.db2.gz VXXXXHNJPBGQDI-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1[nH+]c2ccccn2c1[C@H](C)C[NH3+] 31935144 572443028 /nfs/dbraw/zinc/44/30/28/572443028.db2.gz QKONEFHDLYNICY-MRVPVSSYSA-N 2 2 189.262 1.705 10 0 ADAELP CCC[C@@H]([NH3+])c1nnc([C@@H](C)[NH2+]C)o1 238241301 572443078 /nfs/dbraw/zinc/44/30/78/572443078.db2.gz KZURFRKAYCCRLV-RNFRBKRXSA-N 2 2 198.270 1.150 10 0 ADAELP Cn1cc[nH+]c1-c1ccccc1C[NH3+] 68890450 572443298 /nfs/dbraw/zinc/44/32/98/572443298.db2.gz QMURTNOOMLRAKA-UHFFFAOYSA-N 2 2 187.246 1.546 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+](CCC2CC2)C1 83895125 572443486 /nfs/dbraw/zinc/44/34/86/572443486.db2.gz VXXXXHNJPBGQDI-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+](CCC2CC2)C1 83895125 572443490 /nfs/dbraw/zinc/44/34/90/572443490.db2.gz VXXXXHNJPBGQDI-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+]1CCCC[C@H]1C 61319412 572443512 /nfs/dbraw/zinc/44/35/12/572443512.db2.gz CKMJSWRDILQZLL-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+]1CCCC[C@H]1C 61319412 572443518 /nfs/dbraw/zinc/44/35/18/572443518.db2.gz CKMJSWRDILQZLL-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCCCC1=CC[N@H+](CC[NH3+])CC1 238240331 572443773 /nfs/dbraw/zinc/44/37/73/572443773.db2.gz WZQRZNWNPTUQQJ-UHFFFAOYSA-N 2 2 182.311 1.767 10 0 ADAELP CCCCC1=CC[N@@H+](CC[NH3+])CC1 238240331 572443778 /nfs/dbraw/zinc/44/37/78/572443778.db2.gz WZQRZNWNPTUQQJ-UHFFFAOYSA-N 2 2 182.311 1.767 10 0 ADAELP c1cn(CCC[NH2+]CCC2CC2)c[nH+]1 83894921 572444151 /nfs/dbraw/zinc/44/41/51/572444151.db2.gz DQZQFJLOOYZLKC-UHFFFAOYSA-N 2 2 193.294 1.663 10 0 ADAELP Cc1[nH+]c2ccccn2c1[C@@H](C)C[NH3+] 31935143 572444301 /nfs/dbraw/zinc/44/43/01/572444301.db2.gz QKONEFHDLYNICY-QMMMGPOBSA-N 2 2 189.262 1.705 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+]1CCCC[C@@H]1C 61319414 572444363 /nfs/dbraw/zinc/44/43/63/572444363.db2.gz CKMJSWRDILQZLL-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+]1CCCC[C@@H]1C 61319414 572444369 /nfs/dbraw/zinc/44/43/69/572444369.db2.gz CKMJSWRDILQZLL-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP Cc1cn(-c2c[nH+]ccc2C)c(N)[nH+]1 235919365 572444489 /nfs/dbraw/zinc/44/44/89/572444489.db2.gz OOJAMOANFUEWIV-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP CC[NH+](CC)CC[NH2+]CCC1CC1 83894704 572444709 /nfs/dbraw/zinc/44/47/09/572444709.db2.gz ZWGMKHBQMDWYPC-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CC[NH2+][C@@H](C)[C@H]([NH2+]C)c1ccccc1 238241229 572445365 /nfs/dbraw/zinc/44/53/65/572445365.db2.gz NVZIKKUHSJEXKK-JQWIXIFHSA-N 2 2 192.306 1.945 10 0 ADAELP C[NH+](C)CC[NH2+]CC(C1CC1)C1CC1 83895038 572445389 /nfs/dbraw/zinc/44/53/89/572445389.db2.gz GAPKOAKTTXCPGE-UHFFFAOYSA-N 2 2 196.338 1.574 10 0 ADAELP CC[NH2+][C@@H](C)[C@@H]([NH2+]C)c1ccccc1 238240242 572445483 /nfs/dbraw/zinc/44/54/83/572445483.db2.gz NVZIKKUHSJEXKK-CMPLNLGQSA-N 2 2 192.306 1.945 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cncs1 74238881 572445777 /nfs/dbraw/zinc/44/57/77/572445777.db2.gz JYJFHOJLRAWTTP-HTQZYQBOSA-N 2 2 197.307 1.237 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cncs1 74238881 572445780 /nfs/dbraw/zinc/44/57/80/572445780.db2.gz JYJFHOJLRAWTTP-HTQZYQBOSA-N 2 2 197.307 1.237 10 0 ADAELP CC[C@H](C)C[C@H](C)[NH2+]CC[NH+](C)C 83864787 572446817 /nfs/dbraw/zinc/44/68/17/572446817.db2.gz FWBVMAKWBMEALH-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH2+]C(C)(C)C[NH+]1CCSCC1 61319520 572447174 /nfs/dbraw/zinc/44/71/74/572447174.db2.gz QHAKZBHCDCOWCL-UHFFFAOYSA-N 2 2 188.340 1.033 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@H]([NH3+])C2CC2)[C@H](C)C1 68896894 572447213 /nfs/dbraw/zinc/44/72/13/572447213.db2.gz NXAWBCCVBSIVRZ-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])C2CC2)[C@H](C)C1 68896894 572447217 /nfs/dbraw/zinc/44/72/17/572447217.db2.gz NXAWBCCVBSIVRZ-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H](C)C[C@@H](C)[NH2+]CC[NH+](C)C 83864785 572447482 /nfs/dbraw/zinc/44/74/82/572447482.db2.gz FWBVMAKWBMEALH-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH+](C)Cc1csc(C(C)(C)[NH3+])n1 74214516 572447538 /nfs/dbraw/zinc/44/75/38/572447538.db2.gz GPYXAYNAWUDOQM-UHFFFAOYSA-N 2 2 199.323 1.399 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cncs1 74238879 572447562 /nfs/dbraw/zinc/44/75/62/572447562.db2.gz JYJFHOJLRAWTTP-JGVFFNPUSA-N 2 2 197.307 1.237 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cncs1 74238879 572447565 /nfs/dbraw/zinc/44/75/65/572447565.db2.gz JYJFHOJLRAWTTP-JGVFFNPUSA-N 2 2 197.307 1.237 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+](C[C@H]([NH3+])C2CC2)C1 68893379 572447649 /nfs/dbraw/zinc/44/76/49/572447649.db2.gz FJBDAWWKEVJNNK-UMNHJUIQSA-N 2 2 196.338 1.702 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+](C[C@H]([NH3+])C2CC2)C1 68893379 572447654 /nfs/dbraw/zinc/44/76/54/572447654.db2.gz FJBDAWWKEVJNNK-UMNHJUIQSA-N 2 2 196.338 1.702 10 0 ADAELP C[NH2+]C(C)(C)C[NH+]1C[C@@H](C)C[C@H](C)C1 61319492 572447774 /nfs/dbraw/zinc/44/77/74/572447774.db2.gz JRYHDCYBKFBINF-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C)C[C@H](C)[NH2+]CC[NH+](C)C 83864786 572449427 /nfs/dbraw/zinc/44/94/27/572449427.db2.gz FWBVMAKWBMEALH-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 393542622 572448215 /nfs/dbraw/zinc/44/82/15/572448215.db2.gz FOTGTGPBLKERNS-LPEHRKFASA-N 2 2 188.290 1.417 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 393542622 572448225 /nfs/dbraw/zinc/44/82/25/572448225.db2.gz FOTGTGPBLKERNS-LPEHRKFASA-N 2 2 188.290 1.417 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+](C)C1CC1 61319540 572448379 /nfs/dbraw/zinc/44/83/79/572448379.db2.gz XKHVBXCAGLHCPP-UHFFFAOYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+](C)C1CC1 61319540 572448382 /nfs/dbraw/zinc/44/83/82/572448382.db2.gz XKHVBXCAGLHCPP-UHFFFAOYSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@@H]1CCC[N@H+](C[C@H]([NH3+])C2CC2)CC1 68897717 572448454 /nfs/dbraw/zinc/44/84/54/572448454.db2.gz OTLFLCGPMGEBEY-PWSUYJOCSA-N 2 2 196.338 1.846 10 0 ADAELP C[NH2+]C(C)(C)C[NH+]1C[C@H](C)C[C@@H](C)C1 61319494 572448457 /nfs/dbraw/zinc/44/84/57/572448457.db2.gz JRYHDCYBKFBINF-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])C2CC2)CC1 68897717 572448458 /nfs/dbraw/zinc/44/84/58/572448458.db2.gz OTLFLCGPMGEBEY-PWSUYJOCSA-N 2 2 196.338 1.846 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 61319491 572448492 /nfs/dbraw/zinc/44/84/92/572448492.db2.gz JRYHDCYBKFBINF-PHIMTYICSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 61319491 572448494 /nfs/dbraw/zinc/44/84/94/572448494.db2.gz JRYHDCYBKFBINF-PHIMTYICSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C)C[C@@H](C)[NH2+]CC[NH+](C)C 83864784 572448663 /nfs/dbraw/zinc/44/86/63/572448663.db2.gz FWBVMAKWBMEALH-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP C[C@@H]1C[C@@H](C)C[NH+](C[C@H]([NH3+])C2CC2)C1 68893382 572449136 /nfs/dbraw/zinc/44/91/36/572449136.db2.gz FJBDAWWKEVJNNK-FOGDFJRCSA-N 2 2 196.338 1.702 10 0 ADAELP C[NH2+]C(C)(C)C[NH2+]Cc1ccccc1 61319646 572449601 /nfs/dbraw/zinc/44/96/01/572449601.db2.gz LGQAGLPOOMXDNY-UHFFFAOYSA-N 2 2 192.306 1.774 10 0 ADAELP C[C@H]1CCC[N@H+](C[C@H]([NH3+])C2CC2)CC1 68897721 572449959 /nfs/dbraw/zinc/44/99/59/572449959.db2.gz OTLFLCGPMGEBEY-JQWIXIFHSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1CCC[N@@H+](C[C@H]([NH3+])C2CC2)CC1 68897721 572449964 /nfs/dbraw/zinc/44/99/64/572449964.db2.gz OTLFLCGPMGEBEY-JQWIXIFHSA-N 2 2 196.338 1.846 10 0 ADAELP C[N@@H+](CC1CCCC1)C[C@H]([NH3+])C1CC1 68897747 572449984 /nfs/dbraw/zinc/44/99/84/572449984.db2.gz JKFCNVFOWZPLFV-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP C[N@H+](CC1CCCC1)C[C@H]([NH3+])C1CC1 68897747 572449988 /nfs/dbraw/zinc/44/99/88/572449988.db2.gz JKFCNVFOWZPLFV-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP C[N@H+](C[C@H]([NH3+])C1CC1)C1CCCCC1 68893641 572450184 /nfs/dbraw/zinc/45/01/84/572450184.db2.gz BYZYVRBEEHNILW-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](C[C@H]([NH3+])C1CC1)C1CCCCC1 68893641 572450190 /nfs/dbraw/zinc/45/01/90/572450190.db2.gz BYZYVRBEEHNILW-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[N@H+](C[C@H]([NH3+])C2CC2)[C@@H]1C 68896797 572450393 /nfs/dbraw/zinc/45/03/93/572450393.db2.gz JZMSWIKNOBJZMW-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])C2CC2)[C@@H]1C 68896797 572450396 /nfs/dbraw/zinc/45/03/96/572450396.db2.gz JZMSWIKNOBJZMW-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP [NH3+]C[C@]1([NH3+])CCc2ccc(Cl)cc21 74240709 572450643 /nfs/dbraw/zinc/45/06/43/572450643.db2.gz LCYZECQLAUMGSI-SNVBAGLBSA-N 2 2 196.681 1.399 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])Cc1ccco1 74241335 572450793 /nfs/dbraw/zinc/45/07/93/572450793.db2.gz JMODQCYQBYOWIP-SNVBAGLBSA-N 2 2 196.294 1.491 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1c1cccs1 74240898 572450888 /nfs/dbraw/zinc/45/08/88/572450888.db2.gz MILDTIJITHBJEB-DTWKUNHWSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1c1cccs1 74240898 572450891 /nfs/dbraw/zinc/45/08/91/572450891.db2.gz MILDTIJITHBJEB-DTWKUNHWSA-N 2 2 196.319 1.842 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])Cc1ccco1 74241332 572450952 /nfs/dbraw/zinc/45/09/52/572450952.db2.gz JMODQCYQBYOWIP-JTQLQIEISA-N 2 2 196.294 1.491 10 0 ADAELP [NH3+]C[C@@]1([NH3+])CCc2ccc(Cl)cc21 74240710 572450977 /nfs/dbraw/zinc/45/09/77/572450977.db2.gz LCYZECQLAUMGSI-JTQLQIEISA-N 2 2 196.681 1.399 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[C@H]21 688685255 572451203 /nfs/dbraw/zinc/45/12/03/572451203.db2.gz AANNPQVQZNWBHI-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[C@H]21 688685255 572451205 /nfs/dbraw/zinc/45/12/05/572451205.db2.gz 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10 0 ADAELP Cc1[nH]c([C@H]([NH3+])CCC[NH+](C)C)c[nH+]1 74241158 572452032 /nfs/dbraw/zinc/45/20/32/572452032.db2.gz YXYOZQCTPCCLNL-SECBINFHSA-N 3 2 196.298 1.060 10 0 ADAELP CCN(CC)[C@@H](C[NH3+])c1c[nH+]c(C)[nH]1 74241136 572452255 /nfs/dbraw/zinc/45/22/55/572452255.db2.gz PESAXRHFFJAHTQ-JTQLQIEISA-N 2 2 196.298 1.060 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(Cl)cc1C 234447751 572452323 /nfs/dbraw/zinc/45/23/23/572452323.db2.gz RUIYTHMKPDJWBJ-SNVBAGLBSA-N 2 2 198.697 1.868 10 0 ADAELP C[N@@H+]1CCC[NH2+]C[C@H]1C1CCCCC1 74240800 572452389 /nfs/dbraw/zinc/45/23/89/572452389.db2.gz AQWYVEUFFZYVAS-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCC[NH2+]C[C@H]1C1CCCCC1 74240800 572452393 /nfs/dbraw/zinc/45/23/93/572452393.db2.gz AQWYVEUFFZYVAS-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1occc1C 74241343 572452405 /nfs/dbraw/zinc/45/24/05/572452405.db2.gz ATCIZADSZPTOJL-JTQLQIEISA-N 2 2 196.294 1.930 10 0 ADAELP C[NH+](C)[C@@]1(C[NH3+])CCc2sccc21 74240887 572452440 /nfs/dbraw/zinc/45/24/40/572452440.db2.gz PKBFHEFDSBVBER-SNVBAGLBSA-N 2 2 196.319 1.410 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1occc1C 74241344 572452661 /nfs/dbraw/zinc/45/26/61/572452661.db2.gz ATCIZADSZPTOJL-SNVBAGLBSA-N 2 2 196.294 1.930 10 0 ADAELP [NH3+]CCc1[nH+]ccn1CCC1CC1 83939997 572453028 /nfs/dbraw/zinc/45/30/28/572453028.db2.gz QEZHZOXXWSTQGT-UHFFFAOYSA-N 2 2 179.267 1.184 10 0 ADAELP C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1c1cccs1 74240896 572452862 /nfs/dbraw/zinc/45/28/62/572452862.db2.gz MILDTIJITHBJEB-RKDXNWHRSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1C[C@H]([NH3+])CC[C@@H]1c1cccs1 74240896 572452865 /nfs/dbraw/zinc/45/28/65/572452865.db2.gz MILDTIJITHBJEB-RKDXNWHRSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])C[C@@H](c2ccsc2)C1 74240892 572452896 /nfs/dbraw/zinc/45/28/96/572452896.db2.gz DBVOJQSSPKCDGA-ZJUUUORDSA-N 2 2 196.319 1.495 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])C[C@@H](c2ccsc2)C1 74240892 572452899 /nfs/dbraw/zinc/45/28/99/572452899.db2.gz DBVOJQSSPKCDGA-ZJUUUORDSA-N 2 2 196.319 1.495 10 0 ADAELP Cc1ccc(C[C@H]([NH3+])[C@H](C)[NH+](C)C)o1 74241329 572453022 /nfs/dbraw/zinc/45/30/22/572453022.db2.gz IRUBSTMDFOIMMI-ONGXEEELSA-N 2 2 196.294 1.408 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])C[C@@H](c2cccs2)C1 74240888 572453186 /nfs/dbraw/zinc/45/31/86/572453186.db2.gz DCBLAHJWJGEKBI-BDAKNGLRSA-N 2 2 196.319 1.495 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])C[C@@H](c2cccs2)C1 74240888 572453194 /nfs/dbraw/zinc/45/31/94/572453194.db2.gz DCBLAHJWJGEKBI-BDAKNGLRSA-N 2 2 196.319 1.495 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1coc(C)c1 74241193 572453363 /nfs/dbraw/zinc/45/33/63/572453363.db2.gz UKIQVHSEWNDHKH-NSHDSACASA-N 2 2 196.294 1.930 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1cocc1C 74241345 572453430 /nfs/dbraw/zinc/45/34/30/572453430.db2.gz HJOCKLHEYPZTEN-NSHDSACASA-N 2 2 196.294 1.930 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1coc(C)c1 74241195 572453560 /nfs/dbraw/zinc/45/35/60/572453560.db2.gz UKIQVHSEWNDHKH-LLVKDONJSA-N 2 2 196.294 1.930 10 0 ADAELP C[NH+](C)[C@]1(C[NH3+])CCc2sccc21 74240884 572453634 /nfs/dbraw/zinc/45/36/34/572453634.db2.gz PKBFHEFDSBVBER-JTQLQIEISA-N 2 2 196.319 1.410 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 688685243 572453787 /nfs/dbraw/zinc/45/37/87/572453787.db2.gz AANNPQVQZNWBHI-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP CC[NH+](CC)CCc1c[nH]c(C)[nH+]1 238247888 572453753 /nfs/dbraw/zinc/45/37/53/572453753.db2.gz SFDXNHQYVNWRSS-UHFFFAOYSA-N 2 2 181.283 1.602 10 0 ADAELP CC[NH+](CC)CCc1c[nH+]c(C)[nH]1 238247888 572453757 /nfs/dbraw/zinc/45/37/57/572453757.db2.gz SFDXNHQYVNWRSS-UHFFFAOYSA-N 2 2 181.283 1.602 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 688685243 572453783 /nfs/dbraw/zinc/45/37/83/572453783.db2.gz AANNPQVQZNWBHI-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1cc(C)co1 74241350 572454079 /nfs/dbraw/zinc/45/40/79/572454079.db2.gz XYTMZOYJHMCKRJ-SNVBAGLBSA-N 2 2 196.294 1.930 10 0 ADAELP Cc1ccc(C[C@@H]([NH3+])[C@H](C)[NH+](C)C)o1 74241330 572454107 /nfs/dbraw/zinc/45/41/07/572454107.db2.gz IRUBSTMDFOIMMI-GXSJLCMTSA-N 2 2 196.294 1.408 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]2C[C@H]12 688685258 572454115 /nfs/dbraw/zinc/45/41/15/572454115.db2.gz AANNPQVQZNWBHI-WOPDTQHZSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]2C[C@H]12 688685258 572454117 /nfs/dbraw/zinc/45/41/17/572454117.db2.gz AANNPQVQZNWBHI-WOPDTQHZSA-N 2 2 196.338 1.716 10 0 ADAELP CC[NH+](CC)CCc1[nH]c[nH+]c1C 238248129 572454154 /nfs/dbraw/zinc/45/41/54/572454154.db2.gz ZKSVZWUSSJMIOE-UHFFFAOYSA-N 2 2 181.283 1.602 10 0 ADAELP CC[NH+](CC)CCc1[nH+]c[nH]c1C 238248129 572454157 /nfs/dbraw/zinc/45/41/57/572454157.db2.gz ZKSVZWUSSJMIOE-UHFFFAOYSA-N 2 2 181.283 1.602 10 0 ADAELP Cc1ccc(C[C@H]([NH3+])[C@@H](C)[NH+](C)C)o1 74241325 572454195 /nfs/dbraw/zinc/45/41/95/572454195.db2.gz IRUBSTMDFOIMMI-KOLCDFICSA-N 2 2 196.294 1.408 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])C[C@H](c2ccsc2)C1 74240894 572454207 /nfs/dbraw/zinc/45/42/07/572454207.db2.gz DBVOJQSSPKCDGA-UWVGGRQHSA-N 2 2 196.319 1.495 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])C[C@H](c2ccsc2)C1 74240894 572454210 /nfs/dbraw/zinc/45/42/10/572454210.db2.gz DBVOJQSSPKCDGA-UWVGGRQHSA-N 2 2 196.319 1.495 10 0 ADAELP C[NH+](C)[C@H](C[NH3+])Cc1cccc(F)c1 74241614 572454358 /nfs/dbraw/zinc/45/43/58/572454358.db2.gz VDNSHYZPXNQZJJ-NSHDSACASA-N 2 2 196.269 1.257 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1cocc1C 74241347 572454323 /nfs/dbraw/zinc/45/43/23/572454323.db2.gz HJOCKLHEYPZTEN-LLVKDONJSA-N 2 2 196.294 1.930 10 0 ADAELP CCN(CC)[C@H](C[NH3+])c1c[nH+]c(C)[nH]1 74241138 572454441 /nfs/dbraw/zinc/45/44/41/572454441.db2.gz PESAXRHFFJAHTQ-SNVBAGLBSA-N 2 2 196.298 1.060 10 0 ADAELP CCN(CC)[C@@H](C[NH3+])c1[nH]c[nH+]c1C 74241145 572454516 /nfs/dbraw/zinc/45/45/16/572454516.db2.gz RTYJFMFHARTURN-VIFPVBQESA-N 2 2 196.298 1.060 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CCC1CC1 83926429 572454574 /nfs/dbraw/zinc/45/45/74/572454574.db2.gz WEYMRDZYCUMKIG-LBPRGKRZSA-N 2 2 198.354 1.962 10 0 ADAELP C1CC[NH+](CC[NH2+]CCC2CC2)CC1 83926455 572454726 /nfs/dbraw/zinc/45/47/26/572454726.db2.gz NLCDOPKCADDGIQ-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP c1cn(CC[NH2+]CCC2CC2)c[nH+]1 83926417 572454909 /nfs/dbraw/zinc/45/49/09/572454909.db2.gz BVVYRVXQJQHXGM-UHFFFAOYSA-N 2 2 179.267 1.273 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+](CCC2CC2)C1 83912942 572454997 /nfs/dbraw/zinc/45/49/97/572454997.db2.gz FBKSHSVGBWPUCQ-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+](CCC2CC2)C1 83912942 572455001 /nfs/dbraw/zinc/45/50/01/572455001.db2.gz FBKSHSVGBWPUCQ-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@H+](CCC2CC2)C1 83912940 572455188 /nfs/dbraw/zinc/45/51/88/572455188.db2.gz FBKSHSVGBWPUCQ-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@@H+](CCC2CC2)C1 83912940 572455193 /nfs/dbraw/zinc/45/51/93/572455193.db2.gz FBKSHSVGBWPUCQ-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@H+](CCC2CC2)CCC[NH2+]1 83913330 572455423 /nfs/dbraw/zinc/45/54/23/572455423.db2.gz VVJRRHFTFAYTIK-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1C[N@@H+](CCC2CC2)CCC[NH2+]1 83913330 572455426 /nfs/dbraw/zinc/45/54/26/572455426.db2.gz VVJRRHFTFAYTIK-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+](CC[NH2+]CCC1CC1)C1CC1 83926540 572455480 /nfs/dbraw/zinc/45/54/80/572455480.db2.gz WWLBXEZFIAMXJS-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+](CC[NH2+]CCC1CC1)C1CC1 83926540 572455483 /nfs/dbraw/zinc/45/54/83/572455483.db2.gz WWLBXEZFIAMXJS-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H](C[NH2+]CCC1CC1)[NH+](C)C 83926485 572455580 /nfs/dbraw/zinc/45/55/80/572455580.db2.gz SHRQFZNTHVNSCO-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+]CCC1CC1 83926530 572455833 /nfs/dbraw/zinc/45/58/33/572455833.db2.gz MAGMGIAYVJNKQA-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+]CCC1CC1 83926530 572455837 /nfs/dbraw/zinc/45/58/37/572455837.db2.gz MAGMGIAYVJNKQA-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH+](C)C(C)(C)C[NH2+]CCC1CC1 83926463 572455856 /nfs/dbraw/zinc/45/58/56/572455856.db2.gz BSUMCWLORWHVAY-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+](C)CC[NH2+]CCC1CC1 83926529 572456027 /nfs/dbraw/zinc/45/60/27/572456027.db2.gz FQBLUAHGZXLPCV-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CC[N@@H+](C)CC[NH2+]CCC1CC1 83926529 572456031 /nfs/dbraw/zinc/45/60/31/572456031.db2.gz FQBLUAHGZXLPCV-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP [NH3+][C@H](C[NH+]1CCCC1)CC(F)(F)F 74242348 572456222 /nfs/dbraw/zinc/45/62/22/572456222.db2.gz QQKOSXPQFSBMCP-ZETCQYMHSA-N 2 2 196.216 1.362 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCC1CC1 83926430 572456557 /nfs/dbraw/zinc/45/65/57/572456557.db2.gz NMXDHWINSOBJSF-JTQLQIEISA-N 2 2 193.294 1.661 10 0 ADAELP Cn1cc[nH+]c1CC[NH2+]CCC1CC1 83926488 572456404 /nfs/dbraw/zinc/45/64/04/572456404.db2.gz AOGWQMPTQJPNCP-UHFFFAOYSA-N 2 2 193.294 1.352 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1CC1 83926007 572456469 /nfs/dbraw/zinc/45/64/69/572456469.db2.gz TZKIETLPCPNMIO-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1CC1 83926007 572456475 /nfs/dbraw/zinc/45/64/75/572456475.db2.gz TZKIETLPCPNMIO-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCC1CC1 83926428 572456639 /nfs/dbraw/zinc/45/66/39/572456639.db2.gz WEYMRDZYCUMKIG-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CCC1CC1 83926431 572456694 /nfs/dbraw/zinc/45/66/94/572456694.db2.gz NMXDHWINSOBJSF-SNVBAGLBSA-N 2 2 193.294 1.661 10 0 ADAELP [NH3+][C@@H](C[NH+]1CCCC1)CC(F)(F)F 74242346 572456886 /nfs/dbraw/zinc/45/68/86/572456886.db2.gz QQKOSXPQFSBMCP-SSDOTTSWSA-N 2 2 196.216 1.362 10 0 ADAELP C[C@@H](C[NH2+]CCC1CC1)[NH+](C)C 83926484 572457427 /nfs/dbraw/zinc/45/74/27/572457427.db2.gz SHRQFZNTHVNSCO-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1CC1 83926009 572457651 /nfs/dbraw/zinc/45/76/51/572457651.db2.gz TZKIETLPCPNMIO-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1CC1 83926009 572457655 /nfs/dbraw/zinc/45/76/55/572457655.db2.gz TZKIETLPCPNMIO-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C1CC1CC[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 83912945 572457693 /nfs/dbraw/zinc/45/76/93/572457693.db2.gz ZLEHZKKTQFZMQN-LBPRGKRZSA-N 2 2 194.322 1.613 10 0 ADAELP C1CC1CC[N@H+]1CC[C@H]([NH2+]C2CC2)C1 83912945 572457698 /nfs/dbraw/zinc/45/76/98/572457698.db2.gz ZLEHZKKTQFZMQN-LBPRGKRZSA-N 2 2 194.322 1.613 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+](C2CC(C(C)C)C2)C1 234447435 572457740 /nfs/dbraw/zinc/45/77/40/572457740.db2.gz JJSFZHRNDITPAM-MOENNCHZSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+](C2CC(C(C)C)C2)C1 234447435 572457744 /nfs/dbraw/zinc/45/77/44/572457744.db2.gz JJSFZHRNDITPAM-MOENNCHZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1CC1 83926006 572457963 /nfs/dbraw/zinc/45/79/63/572457963.db2.gz TZKIETLPCPNMIO-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1CC1 83926006 572457965 /nfs/dbraw/zinc/45/79/65/572457965.db2.gz TZKIETLPCPNMIO-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C1CC1CC[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 83912949 572458023 /nfs/dbraw/zinc/45/80/23/572458023.db2.gz ZLEHZKKTQFZMQN-GFCCVEGCSA-N 2 2 194.322 1.613 10 0 ADAELP C1CC1CC[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 83912949 572458027 /nfs/dbraw/zinc/45/80/27/572458027.db2.gz ZLEHZKKTQFZMQN-GFCCVEGCSA-N 2 2 194.322 1.613 10 0 ADAELP C1CC[NH+](CC[NH2+]CCC2CC2)C1 83926531 572458100 /nfs/dbraw/zinc/45/81/00/572458100.db2.gz QXKOKCCJTVDPSF-UHFFFAOYSA-N 2 2 182.311 1.472 10 0 ADAELP C1CC([N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 68954791 572458516 /nfs/dbraw/zinc/45/85/16/572458516.db2.gz BHIUXACKNQULPI-NWDGAFQWSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC([N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 68954791 572458520 /nfs/dbraw/zinc/45/85/20/572458520.db2.gz BHIUXACKNQULPI-NWDGAFQWSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC([N@@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 68954794 572458637 /nfs/dbraw/zinc/45/86/37/572458637.db2.gz BHIUXACKNQULPI-RYUDHWBXSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC([N@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 68954794 572458640 /nfs/dbraw/zinc/45/86/40/572458640.db2.gz BHIUXACKNQULPI-RYUDHWBXSA-N 2 2 194.322 1.755 10 0 ADAELP CCC[NH2+]CC[N@H+](C)CCC1CC1 83926973 572458772 /nfs/dbraw/zinc/45/87/72/572458772.db2.gz BUNCIHXOLDRTLD-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)CCC1CC1 83926973 572458773 /nfs/dbraw/zinc/45/87/73/572458773.db2.gz BUNCIHXOLDRTLD-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP [NH3+]C[C@H](O)c1c[nH+]c(C2CCCC2)[nH]1 74243690 572459166 /nfs/dbraw/zinc/45/91/66/572459166.db2.gz AOTXCFZFXMXAOO-VIFPVBQESA-N 2 2 195.266 1.059 10 0 ADAELP CC(C)C[NH2+]CC[N@H+](C)CCC1CC1 83926975 572459183 /nfs/dbraw/zinc/45/91/83/572459183.db2.gz NGFPSXXBOBKUOQ-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CC(C)C[NH2+]CC[N@@H+](C)CCC1CC1 83926975 572459189 /nfs/dbraw/zinc/45/91/89/572459189.db2.gz NGFPSXXBOBKUOQ-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(F)ccc1C 234447532 572459302 /nfs/dbraw/zinc/45/93/02/572459302.db2.gz RAMMVLABOLNRCD-SNVBAGLBSA-N 2 2 182.242 1.353 10 0 ADAELP CCc1[nH+]c(C)c2sc(C[NH3+])cn12 74243133 572459665 /nfs/dbraw/zinc/45/96/65/572459665.db2.gz JFKUBMJYCZXULP-UHFFFAOYSA-N 2 2 195.291 1.725 10 0 ADAELP Cc1c[nH]c([C@](C)(C[NH3+])[NH+](C)C)c1C 74243001 572460130 /nfs/dbraw/zinc/46/01/30/572460130.db2.gz APYMFLCUDMHWEK-NSHDSACASA-N 2 2 195.310 1.367 10 0 ADAELP CC[NH2+]CC[N@H+](C)CCC1CC1 83926935 572460266 /nfs/dbraw/zinc/46/02/66/572460266.db2.gz GNLDYAKTNAFENR-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CC[NH2+]CC[N@@H+](C)CCC1CC1 83926935 572460269 /nfs/dbraw/zinc/46/02/69/572460269.db2.gz GNLDYAKTNAFENR-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP C[N@H+](CC[NH2+]C1CC1)CCC1CC1 83926934 572461091 /nfs/dbraw/zinc/46/10/91/572461091.db2.gz YRYZXQZHOXRNDN-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+](CC[NH2+]C1CC1)CCC1CC1 83926934 572461097 /nfs/dbraw/zinc/46/10/97/572461097.db2.gz YRYZXQZHOXRNDN-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC[NH+](CC)[C@@H](C)Cc1[nH]c[nH+]c1C 238255696 572462286 /nfs/dbraw/zinc/46/22/86/572462286.db2.gz QZLBOIXHNDQTOV-VIFPVBQESA-N 2 2 195.310 1.991 10 0 ADAELP Cc1cc(C)c([C@](C)(C[NH3+])[NH+](C)C)[nH]1 74243006 572462288 /nfs/dbraw/zinc/46/22/88/572462288.db2.gz AJNVGILZXBLBPL-NSHDSACASA-N 2 2 195.310 1.367 10 0 ADAELP CC[NH+](CC)[C@@H](C)Cc1[nH+]c[nH]c1C 238255696 572462289 /nfs/dbraw/zinc/46/22/89/572462289.db2.gz QZLBOIXHNDQTOV-VIFPVBQESA-N 2 2 195.310 1.991 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)CCC1CC1 83926933 572461581 /nfs/dbraw/zinc/46/15/81/572461581.db2.gz ZDONQCZYTDKKTL-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)CCC1CC1 83926933 572461585 /nfs/dbraw/zinc/46/15/85/572461585.db2.gz ZDONQCZYTDKKTL-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(F)cc(F)c1 234447462 572461779 /nfs/dbraw/zinc/46/17/79/572461779.db2.gz JEWIHOIGSJRCNQ-SECBINFHSA-N 2 2 186.205 1.184 10 0 ADAELP Cc1c[nH]c([C@@](C)(C[NH3+])[NH+](C)C)c1C 74242999 572461818 /nfs/dbraw/zinc/46/18/18/572461818.db2.gz APYMFLCUDMHWEK-LLVKDONJSA-N 2 2 195.310 1.367 10 0 ADAELP Cc1ccn(C)c1[C@@](C)(C[NH3+])[NH+](C)C 74243002 572461931 /nfs/dbraw/zinc/46/19/31/572461931.db2.gz LUVUCXXUOFDHPD-LLVKDONJSA-N 2 2 195.310 1.069 10 0 ADAELP [NH3+]C[C@@H](O)c1c[nH+]c(C2CCCC2)[nH]1 74243689 572462057 /nfs/dbraw/zinc/46/20/57/572462057.db2.gz AOTXCFZFXMXAOO-SECBINFHSA-N 2 2 195.266 1.059 10 0 ADAELP Cc1ccn(C)c1[C@](C)(C[NH3+])[NH+](C)C 74243003 572462459 /nfs/dbraw/zinc/46/24/59/572462459.db2.gz LUVUCXXUOFDHPD-NSHDSACASA-N 2 2 195.310 1.069 10 0 ADAELP Cc1cc(C)c([C@@](C)(C[NH3+])[NH+](C)C)[nH]1 74243005 572462605 /nfs/dbraw/zinc/46/26/05/572462605.db2.gz AJNVGILZXBLBPL-LLVKDONJSA-N 2 2 195.310 1.367 10 0 ADAELP Cc1cc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)on1 74243807 572463927 /nfs/dbraw/zinc/46/39/27/572463927.db2.gz 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1.077 10 0 ADAELP Cc1ncoc1[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C 74243833 572463377 /nfs/dbraw/zinc/46/33/77/572463377.db2.gz RKGRJEUTJCAWGI-BDAKNGLRSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncc([C@H]2C[C@H]([NH3+])CC[N@H+]2C)o1 74243841 572463939 /nfs/dbraw/zinc/46/39/39/572463939.db2.gz YBNDRMUTAARQNY-RKDXNWHRSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncc([C@H]2C[C@H]([NH3+])CC[N@@H+]2C)o1 74243841 572463943 /nfs/dbraw/zinc/46/39/43/572463943.db2.gz YBNDRMUTAARQNY-RKDXNWHRSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncoc1[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C 74243836 572464826 /nfs/dbraw/zinc/46/48/26/572464826.db2.gz RKGRJEUTJCAWGI-IUCAKERBSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncoc1[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74243836 572464832 /nfs/dbraw/zinc/46/48/32/572464832.db2.gz RKGRJEUTJCAWGI-IUCAKERBSA-N 2 2 195.266 1.077 10 0 ADAELP C[NH2+]C[C@@H](O)c1[nH]c(C(C)C)[nH+]c1C 74239255 572465031 /nfs/dbraw/zinc/46/50/31/572465031.db2.gz YZBSUTLNQHYBCO-MRVPVSSYSA-N 2 2 197.282 1.094 10 0 ADAELP Cc1ncc([C@H]2C[C@@H]([NH3+])CC[N@H+]2C)o1 74243844 572465909 /nfs/dbraw/zinc/46/59/09/572465909.db2.gz YBNDRMUTAARQNY-DTWKUNHWSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncc([C@H]2C[C@@H]([NH3+])CC[N@@H+]2C)o1 74243844 572465911 /nfs/dbraw/zinc/46/59/11/572465911.db2.gz YBNDRMUTAARQNY-DTWKUNHWSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)on1 74243806 572465986 /nfs/dbraw/zinc/46/59/86/572465986.db2.gz NEMKXXFSIGXELI-BDAKNGLRSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1cc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)on1 74243806 572465990 /nfs/dbraw/zinc/46/59/90/572465990.db2.gz NEMKXXFSIGXELI-BDAKNGLRSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncc([C@@H]2C[C@H]([NH3+])CC[N@H+]2C)o1 74243840 572466241 /nfs/dbraw/zinc/46/62/41/572466241.db2.gz YBNDRMUTAARQNY-BDAKNGLRSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncc([C@@H]2C[C@H]([NH3+])CC[N@@H+]2C)o1 74243840 572466246 /nfs/dbraw/zinc/46/62/46/572466246.db2.gz YBNDRMUTAARQNY-BDAKNGLRSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncoc1[C@H]1C[C@@H]([NH3+])CC[N@H+]1C 74243838 572466283 /nfs/dbraw/zinc/46/62/83/572466283.db2.gz RKGRJEUTJCAWGI-DTWKUNHWSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1ncoc1[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74243838 572466288 /nfs/dbraw/zinc/46/62/88/572466288.db2.gz RKGRJEUTJCAWGI-DTWKUNHWSA-N 2 2 195.266 1.077 10 0 ADAELP C[NH2+]C[C@@H](O)c1c[nH+]c(C)n1C(C)C 74239280 572466554 /nfs/dbraw/zinc/46/65/54/572466554.db2.gz WHFUOUKPIRLACN-SNVBAGLBSA-N 2 2 197.282 1.025 10 0 ADAELP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@H+]2C)on1 74243810 572466611 /nfs/dbraw/zinc/46/66/11/572466611.db2.gz NEMKXXFSIGXELI-IUCAKERBSA-N 2 2 195.266 1.077 10 0 ADAELP Cc1cc([C@@H]2C[C@@H]([NH3+])CC[N@@H+]2C)on1 74243810 572466614 /nfs/dbraw/zinc/46/66/14/572466614.db2.gz NEMKXXFSIGXELI-IUCAKERBSA-N 2 2 195.266 1.077 10 0 ADAELP C[NH2+]C[C@H](O)c1[nH]c(C(C)C)[nH+]c1C 74239256 572466643 /nfs/dbraw/zinc/46/66/43/572466643.db2.gz YZBSUTLNQHYBCO-QMMMGPOBSA-N 2 2 197.282 1.094 10 0 ADAELP CC1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 61983897 572468234 /nfs/dbraw/zinc/46/82/34/572468234.db2.gz BIZUFXRXUGVXOL-MWLCHTKSSA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 61983897 572468238 /nfs/dbraw/zinc/46/82/38/572468238.db2.gz BIZUFXRXUGVXOL-MWLCHTKSSA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 61983899 572469265 /nfs/dbraw/zinc/46/92/65/572469265.db2.gz BIZUFXRXUGVXOL-GXSJLCMTSA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 61983899 572469269 /nfs/dbraw/zinc/46/92/69/572469269.db2.gz BIZUFXRXUGVXOL-GXSJLCMTSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 61983956 572469647 /nfs/dbraw/zinc/46/96/47/572469647.db2.gz GMJGQYRJIRYENA-KKZNHRDASA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 61983956 572469650 /nfs/dbraw/zinc/46/96/50/572469650.db2.gz GMJGQYRJIRYENA-KKZNHRDASA-N 2 2 180.295 1.221 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cccc(COC)c1 83968351 572469684 /nfs/dbraw/zinc/46/96/84/572469684.db2.gz PJUHRETXKGAQBI-NSHDSACASA-N 2 2 194.278 1.052 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+]CC2CCC2)C1 61984964 572469804 /nfs/dbraw/zinc/46/98/04/572469804.db2.gz PQVJCVATQAAUHD-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+]CC2CCC2)C1 61984964 572469808 /nfs/dbraw/zinc/46/98/08/572469808.db2.gz PQVJCVATQAAUHD-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(COC)cc1 83969593 572469985 /nfs/dbraw/zinc/46/99/85/572469985.db2.gz HYDDSZOJIKIIEN-LLVKDONJSA-N 2 2 194.278 1.052 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+]CC2CCC2)C1 61984963 572470032 /nfs/dbraw/zinc/47/00/32/572470032.db2.gz PQVJCVATQAAUHD-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+]CC2CCC2)C1 61984963 572470034 /nfs/dbraw/zinc/47/00/34/572470034.db2.gz PQVJCVATQAAUHD-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccoc1 250555559 572472553 /nfs/dbraw/zinc/47/25/53/572472553.db2.gz AZPWCHIDSIUGMF-UWVGGRQHSA-N 2 2 180.251 1.374 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccoc1 250555559 572472556 /nfs/dbraw/zinc/47/25/56/572472556.db2.gz AZPWCHIDSIUGMF-UWVGGRQHSA-N 2 2 180.251 1.374 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(COC)cc1 83969592 572470554 /nfs/dbraw/zinc/47/05/54/572470554.db2.gz HYDDSZOJIKIIEN-NSHDSACASA-N 2 2 194.278 1.052 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 61983898 572470928 /nfs/dbraw/zinc/47/09/28/572470928.db2.gz BIZUFXRXUGVXOL-ONGXEEELSA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 61983898 572470931 /nfs/dbraw/zinc/47/09/31/572470931.db2.gz BIZUFXRXUGVXOL-ONGXEEELSA-N 2 2 194.322 1.611 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccccc1COC 83969080 572471018 /nfs/dbraw/zinc/47/10/18/572471018.db2.gz CQJMADQXXBJUJT-LLVKDONJSA-N 2 2 194.278 1.052 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 61983958 572471077 /nfs/dbraw/zinc/47/10/77/572471077.db2.gz 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/nfs/dbraw/zinc/48/36/50/572483650.db2.gz DFEGRBIVWSBSMO-UHFFFAOYSA-N 2 2 189.262 1.627 10 0 ADAELP CC(C)[C@@]1(C)C[C@H]1[NH2+][C@H](C)C[NH+](C)C 713958364 572484617 /nfs/dbraw/zinc/48/46/17/572484617.db2.gz NWOZUVOQJSMUMA-IJLUTSLNSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@]1(C)C[C@H]1[NH2+][C@H](C)C[NH+](C)C 713958366 572484916 /nfs/dbraw/zinc/48/49/16/572484916.db2.gz NWOZUVOQJSMUMA-UTUOFQBUSA-N 2 2 198.354 1.961 10 0 ADAELP C[N@H+]1C[C@H](Cc2ccccc2)[C@@H]([NH3+])C1 250591497 572485618 /nfs/dbraw/zinc/48/56/18/572485618.db2.gz HNJQLXUNVMDFKK-RYUDHWBXSA-N 2 2 190.290 1.118 10 0 ADAELP C[N@@H+]1C[C@H](Cc2ccccc2)[C@@H]([NH3+])C1 250591497 572485620 /nfs/dbraw/zinc/48/56/20/572485620.db2.gz HNJQLXUNVMDFKK-RYUDHWBXSA-N 2 2 190.290 1.118 10 0 ADAELP CCCCc1cccc([C@H]([NH3+])C[NH3+])c1 238265461 572486488 /nfs/dbraw/zinc/48/64/88/572486488.db2.gz QMTNRJXCOZYPEZ-GFCCVEGCSA-N 2 2 192.306 1.988 10 0 ADAELP C[N@@H+]1CC[C@H](C2CCCCC2)[C@@H]([NH3+])C1 250597785 572489300 /nfs/dbraw/zinc/48/93/00/572489300.db2.gz JDIUYIMTFJUXHK-NEPJUHHUSA-N 2 2 196.338 1.846 10 0 ADAELP CCCCc1cccc([C@@H]([NH3+])C[NH3+])c1 238265309 572488633 /nfs/dbraw/zinc/48/86/33/572488633.db2.gz QMTNRJXCOZYPEZ-LBPRGKRZSA-N 2 2 192.306 1.988 10 0 ADAELP C[N@@H+]1C[C@H]([NH3+])CC[C@H]1c1cccs1 250609953 572488929 /nfs/dbraw/zinc/48/89/29/572488929.db2.gz MILDTIJITHBJEB-BDAKNGLRSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1C[C@H]([NH3+])CC[C@H]1c1cccs1 250609953 572488935 /nfs/dbraw/zinc/48/89/35/572488935.db2.gz MILDTIJITHBJEB-BDAKNGLRSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CC[C@H](C2CCCCC2)[C@@H]([NH3+])C1 250597785 572489303 /nfs/dbraw/zinc/48/93/03/572489303.db2.gz JDIUYIMTFJUXHK-NEPJUHHUSA-N 2 2 196.338 1.846 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1c1cccs1 250609957 572489372 /nfs/dbraw/zinc/48/93/72/572489372.db2.gz MILDTIJITHBJEB-IUCAKERBSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])CC[C@H]1c1cccs1 250609957 572489373 /nfs/dbraw/zinc/48/93/73/572489373.db2.gz MILDTIJITHBJEB-IUCAKERBSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+]1CC[C@@H](C2CCCCC2)[C@@H]([NH3+])C1 250597788 572490022 /nfs/dbraw/zinc/49/00/22/572490022.db2.gz JDIUYIMTFJUXHK-RYUDHWBXSA-N 2 2 196.338 1.846 10 0 ADAELP C[N@H+]1CC[C@@H](C2CCCCC2)[C@@H]([NH3+])C1 250597788 572490026 /nfs/dbraw/zinc/49/00/26/572490026.db2.gz JDIUYIMTFJUXHK-RYUDHWBXSA-N 2 2 196.338 1.846 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cncs1 250600564 572491621 /nfs/dbraw/zinc/49/16/21/572491621.db2.gz JYJFHOJLRAWTTP-SFYZADRCSA-N 2 2 197.307 1.237 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cncs1 250600564 572491624 /nfs/dbraw/zinc/49/16/24/572491624.db2.gz JYJFHOJLRAWTTP-SFYZADRCSA-N 2 2 197.307 1.237 10 0 ADAELP CC(C)C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C1CC1 250598745 572491743 /nfs/dbraw/zinc/49/17/43/572491743.db2.gz PWLMQSABEJVYHM-VXGBXAGGSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C1CC1 250598745 572491747 /nfs/dbraw/zinc/49/17/47/572491747.db2.gz PWLMQSABEJVYHM-VXGBXAGGSA-N 2 2 196.338 1.844 10 0 ADAELP CC[NH2+]CC(C)(C)[NH2+]CCOCC 313203088 572492408 /nfs/dbraw/zinc/49/24/08/572492408.db2.gz CHVMPVBQAJVSIO-UHFFFAOYSA-N 2 2 188.315 1.001 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CC=CCC1 84067732 572492782 /nfs/dbraw/zinc/49/27/82/572492782.db2.gz LOFGXQUSUAZCLJ-JTQLQIEISA-N 2 2 168.284 1.246 10 0 ADAELP CCC[C@@H](C)C[NH2+]Cc1c[nH+]c[nH]1 84080883 572493563 /nfs/dbraw/zinc/49/35/63/572493563.db2.gz KHHNVCAEPJAOBU-SECBINFHSA-N 2 2 181.283 1.936 10 0 ADAELP CC(C)C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C1CC1 250598744 572493622 /nfs/dbraw/zinc/49/36/22/572493622.db2.gz PWLMQSABEJVYHM-NWDGAFQWSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)C[N@H+]1CCC[C@H]([NH3+])[C@H]1C1CC1 250598744 572493625 /nfs/dbraw/zinc/49/36/25/572493625.db2.gz PWLMQSABEJVYHM-NWDGAFQWSA-N 2 2 196.338 1.844 10 0 ADAELP CCCC(=[NH2+])NCc1c[nH+]c[nH]1 84081532 572493631 /nfs/dbraw/zinc/49/36/31/572493631.db2.gz PWBIBTOTKKOQSM-UHFFFAOYSA-N 2 2 166.228 1.277 10 0 ADAELP CCC[C@H](C)C[NH2+]Cc1c[nH+]c[nH]1 84080884 572494356 /nfs/dbraw/zinc/49/43/56/572494356.db2.gz KHHNVCAEPJAOBU-VIFPVBQESA-N 2 2 181.283 1.936 10 0 ADAELP Cc1cc([C@H](C[NH3+])[NH+]2CCCC2)c[nH]1 74247510 572494801 /nfs/dbraw/zinc/49/48/01/572494801.db2.gz DFVOESGZQIIJQJ-NSHDSACASA-N 2 2 193.294 1.419 10 0 ADAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCCC2)c[nH]1 74247509 572494825 /nfs/dbraw/zinc/49/48/25/572494825.db2.gz DFVOESGZQIIJQJ-LLVKDONJSA-N 2 2 193.294 1.419 10 0 ADAELP C[N@@H+]1CCC[C@@H]1[C@@H]([NH3+])CC(F)(F)F 250618029 572495092 /nfs/dbraw/zinc/49/50/92/572495092.db2.gz OLWKUIJGUHRXHP-NKWVEPMBSA-N 2 2 196.216 1.360 10 0 ADAELP C[N@H+]1CCC[C@@H]1[C@@H]([NH3+])CC(F)(F)F 250618029 572495095 /nfs/dbraw/zinc/49/50/95/572495095.db2.gz OLWKUIJGUHRXHP-NKWVEPMBSA-N 2 2 196.216 1.360 10 0 ADAELP c1[nH]c(C[NH2+]Cc2cncs2)c[nH+]1 84081031 572495182 /nfs/dbraw/zinc/49/51/82/572495182.db2.gz HBCCTOKSWVIRTK-UHFFFAOYSA-N 2 2 194.263 1.156 10 0 ADAELP [NH3+]CCCc1c[nH+]c(C2CCCC2)[nH]1 74247454 572495186 /nfs/dbraw/zinc/49/51/86/572495186.db2.gz JHOMWBOCIFMHIP-UHFFFAOYSA-N 2 2 193.294 1.959 10 0 ADAELP CCc1[nH]c([C@H]2CCCC[C@H]2[NH3+])c[nH+]1 74247459 572495194 /nfs/dbraw/zinc/49/51/94/572495194.db2.gz KVOMFYZNYMVCSV-DTWKUNHWSA-N 2 2 193.294 1.957 10 0 ADAELP CCc1[nH]cc([C@H]2CCCC[C@H]2[NH3+])[nH+]1 74247459 572495199 /nfs/dbraw/zinc/49/51/99/572495199.db2.gz KVOMFYZNYMVCSV-DTWKUNHWSA-N 2 2 193.294 1.957 10 0 ADAELP Cn1cccc1[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C 74247435 572495261 /nfs/dbraw/zinc/49/52/61/572495261.db2.gz DPPSLESKPBKIRV-ONGXEEELSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1cccc1[C@@H]1CC[C@H]([NH3+])C[N@H+]1C 74247435 572495265 /nfs/dbraw/zinc/49/52/65/572495265.db2.gz DPPSLESKPBKIRV-ONGXEEELSA-N 2 2 193.294 1.119 10 0 ADAELP c1c[nH]c(C[NH2+]Cc2c[nH+]c[nH]2)c1 84080956 572495376 /nfs/dbraw/zinc/49/53/76/572495376.db2.gz HPMKSNFNCLJTLX-UHFFFAOYSA-N 2 2 176.223 1.028 10 0 ADAELP Cn1cccc1C[NH2+]Cc1c[nH+]c[nH]1 84081028 572495423 /nfs/dbraw/zinc/49/54/23/572495423.db2.gz UYWCQNZROAVQGE-UHFFFAOYSA-N 2 2 190.250 1.038 10 0 ADAELP Cn1cccc1[C@H]1CC[C@@H]([NH3+])C[N@@H+]1C 74247438 572495520 /nfs/dbraw/zinc/49/55/20/572495520.db2.gz DPPSLESKPBKIRV-MWLCHTKSSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1cccc1[C@H]1CC[C@@H]([NH3+])C[N@H+]1C 74247438 572495525 /nfs/dbraw/zinc/49/55/25/572495525.db2.gz DPPSLESKPBKIRV-MWLCHTKSSA-N 2 2 193.294 1.119 10 0 ADAELP Cc1[nH+]c(C)n(C)c1[C@H]([NH3+])CC1CC1 74247537 572495533 /nfs/dbraw/zinc/49/55/33/572495533.db2.gz YQHDYYFVVZJQNF-SNVBAGLBSA-N 2 2 193.294 1.837 10 0 ADAELP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)c[nH]1 74247425 572495573 /nfs/dbraw/zinc/49/55/73/572495573.db2.gz PINUDGJZFZYYTJ-NSHDSACASA-N 2 2 193.294 1.246 10 0 ADAELP Cn1c[nH+]cc1[C@@]1([NH3+])C[C@@H]2C[C@@H]2C1 250624424 572495575 /nfs/dbraw/zinc/49/55/75/572495575.db2.gz UCSNVBNKOWWMNR-MBTKJCJQSA-N 2 2 177.251 1.004 10 0 ADAELP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)c[nH]1 74247425 572495576 /nfs/dbraw/zinc/49/55/76/572495576.db2.gz PINUDGJZFZYYTJ-NSHDSACASA-N 2 2 193.294 1.246 10 0 ADAELP Cc1[nH+]c(C)n(C)c1[C@@H]([NH3+])CC1CC1 74247538 572495608 /nfs/dbraw/zinc/49/56/08/572495608.db2.gz YQHDYYFVVZJQNF-JTQLQIEISA-N 2 2 193.294 1.837 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CC=CCC1 84067734 572495857 /nfs/dbraw/zinc/49/58/57/572495857.db2.gz LOFGXQUSUAZCLJ-SNVBAGLBSA-N 2 2 168.284 1.246 10 0 ADAELP C[C@@H](c1cccn1C)[N@@H+]1CC[C@H]([NH3+])C1 74247423 572496177 /nfs/dbraw/zinc/49/61/77/572496177.db2.gz IMMISBHDKCFSGM-UWVGGRQHSA-N 2 2 193.294 1.119 10 0 ADAELP C[C@@H](c1cccn1C)[N@H+]1CC[C@H]([NH3+])C1 74247423 572496180 /nfs/dbraw/zinc/49/61/80/572496180.db2.gz IMMISBHDKCFSGM-UWVGGRQHSA-N 2 2 193.294 1.119 10 0 ADAELP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c[nH]1 74247426 572496471 /nfs/dbraw/zinc/49/64/71/572496471.db2.gz PINUDGJZFZYYTJ-LLVKDONJSA-N 2 2 193.294 1.246 10 0 ADAELP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)c[nH]1 74247426 572496476 /nfs/dbraw/zinc/49/64/76/572496476.db2.gz PINUDGJZFZYYTJ-LLVKDONJSA-N 2 2 193.294 1.246 10 0 ADAELP C[N@@H+]1CCC[C@H]1[C@@H]([NH3+])CC(F)(F)F 250618027 572496667 /nfs/dbraw/zinc/49/66/67/572496667.db2.gz OLWKUIJGUHRXHP-BQBZGAKWSA-N 2 2 196.216 1.360 10 0 ADAELP C[N@H+]1CCC[C@H]1[C@@H]([NH3+])CC(F)(F)F 250618027 572496672 /nfs/dbraw/zinc/49/66/72/572496672.db2.gz OLWKUIJGUHRXHP-BQBZGAKWSA-N 2 2 196.216 1.360 10 0 ADAELP CCc1[nH]c([C@@H]2CCCC[C@@H]2[NH3+])c[nH+]1 74247456 572496682 /nfs/dbraw/zinc/49/66/82/572496682.db2.gz KVOMFYZNYMVCSV-BDAKNGLRSA-N 2 2 193.294 1.957 10 0 ADAELP CCc1[nH]cc([C@@H]2CCCC[C@@H]2[NH3+])[nH+]1 74247456 572496686 /nfs/dbraw/zinc/49/66/86/572496686.db2.gz KVOMFYZNYMVCSV-BDAKNGLRSA-N 2 2 193.294 1.957 10 0 ADAELP CCc1[nH]c([C@H]2CCCC[C@@H]2[NH3+])c[nH+]1 74247457 572496769 /nfs/dbraw/zinc/49/67/69/572496769.db2.gz KVOMFYZNYMVCSV-IUCAKERBSA-N 2 2 193.294 1.957 10 0 ADAELP CCc1[nH]cc([C@H]2CCCC[C@@H]2[NH3+])[nH+]1 74247457 572496773 /nfs/dbraw/zinc/49/67/73/572496773.db2.gz KVOMFYZNYMVCSV-IUCAKERBSA-N 2 2 193.294 1.957 10 0 ADAELP C[C@@H]([NH3+])Cn1c[nH+]c(C2CCCC2)c1 74247531 572496921 /nfs/dbraw/zinc/49/69/21/572496921.db2.gz FBJQMXVXLPAGGN-SECBINFHSA-N 2 2 193.294 1.888 10 0 ADAELP C[C@H](c1cccn1C)[N@@H+]1CC[C@H]([NH3+])C1 74247424 572497017 /nfs/dbraw/zinc/49/70/17/572497017.db2.gz IMMISBHDKCFSGM-ZJUUUORDSA-N 2 2 193.294 1.119 10 0 ADAELP C[C@H](c1cccn1C)[N@H+]1CC[C@H]([NH3+])C1 74247424 572497020 /nfs/dbraw/zinc/49/70/20/572497020.db2.gz IMMISBHDKCFSGM-ZJUUUORDSA-N 2 2 193.294 1.119 10 0 ADAELP C1CC([C@@H]2C[N@@H+]3CCC[C@H]3C[NH2+]2)C1 250624051 572497124 /nfs/dbraw/zinc/49/71/24/572497124.db2.gz ASNFZQQNOKKQJG-QWRGUYRKSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC([C@@H]2C[N@H+]3CCC[C@H]3C[NH2+]2)C1 250624051 572497126 /nfs/dbraw/zinc/49/71/26/572497126.db2.gz ASNFZQQNOKKQJG-QWRGUYRKSA-N 2 2 180.295 1.223 10 0 ADAELP CCc1[nH]c([C@@H]2CCCC[C@H]2[NH3+])c[nH+]1 74247458 572497797 /nfs/dbraw/zinc/49/77/97/572497797.db2.gz KVOMFYZNYMVCSV-RKDXNWHRSA-N 2 2 193.294 1.957 10 0 ADAELP CCc1[nH]cc([C@@H]2CCCC[C@H]2[NH3+])[nH+]1 74247458 572497802 /nfs/dbraw/zinc/49/78/02/572497802.db2.gz KVOMFYZNYMVCSV-RKDXNWHRSA-N 2 2 193.294 1.957 10 0 ADAELP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])c2ccco2)C1 250616213 572498084 /nfs/dbraw/zinc/49/80/84/572498084.db2.gz OAKIISYOVJRCKR-GXSJLCMTSA-N 2 2 194.278 1.621 10 0 ADAELP C[N@H+]1CCC[C@H]([C@@H]([NH3+])c2ccco2)C1 250616213 572498088 /nfs/dbraw/zinc/49/80/88/572498088.db2.gz OAKIISYOVJRCKR-GXSJLCMTSA-N 2 2 194.278 1.621 10 0 ADAELP C1CC([C@H]2C[N@@H+]3CCC[C@H]3C[NH2+]2)C1 250624053 572498224 /nfs/dbraw/zinc/49/82/24/572498224.db2.gz ASNFZQQNOKKQJG-WDEREUQCSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC([C@H]2C[N@H+]3CCC[C@H]3C[NH2+]2)C1 250624053 572498228 /nfs/dbraw/zinc/49/82/28/572498228.db2.gz ASNFZQQNOKKQJG-WDEREUQCSA-N 2 2 180.295 1.223 10 0 ADAELP C[N@H+]1[C@H](c2ccccn2)CC[C@@H]1C[NH3+] 250611881 572498453 /nfs/dbraw/zinc/49/84/53/572498453.db2.gz MVYNRIVZIQHEBM-KOLCDFICSA-N 2 2 191.278 1.176 10 0 ADAELP C[N@@H+]1[C@H](c2ccccn2)CC[C@@H]1C[NH3+] 250611881 572498456 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YTQAVWUOZIUPBU-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[N@@H+]1[C@H](C[NH3+])CC[C@H]1c1ccccn1 250611883 572499416 /nfs/dbraw/zinc/49/94/16/572499416.db2.gz MVYNRIVZIQHEBM-ONGXEEELSA-N 2 2 191.278 1.176 10 0 ADAELP C[N@H+]1[C@H](C[NH3+])CC[C@H]1c1ccccn1 250611883 572499423 /nfs/dbraw/zinc/49/94/23/572499423.db2.gz MVYNRIVZIQHEBM-ONGXEEELSA-N 2 2 191.278 1.176 10 0 ADAELP C[C@H]1C[N@H+](Cc2ccco2)CCC[NH2+]1 62567790 572499895 /nfs/dbraw/zinc/49/98/95/572499895.db2.gz WREBIVUJHSTLCD-JTQLQIEISA-N 2 2 194.278 1.463 10 0 ADAELP C[C@H]1C[N@@H+](Cc2ccco2)CCC[NH2+]1 62567790 572499900 /nfs/dbraw/zinc/49/99/00/572499900.db2.gz WREBIVUJHSTLCD-JTQLQIEISA-N 2 2 194.278 1.463 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 62568393 572500373 /nfs/dbraw/zinc/50/03/73/572500373.db2.gz OEDYQGLNQQWYRN-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 62568393 572500377 /nfs/dbraw/zinc/50/03/77/572500377.db2.gz OEDYQGLNQQWYRN-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])c2ccco2)C1 250616215 572500290 /nfs/dbraw/zinc/50/02/90/572500290.db2.gz OAKIISYOVJRCKR-MWLCHTKSSA-N 2 2 194.278 1.621 10 0 ADAELP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])c2ccco2)C1 250616215 572500293 /nfs/dbraw/zinc/50/02/93/572500293.db2.gz OAKIISYOVJRCKR-MWLCHTKSSA-N 2 2 194.278 1.621 10 0 ADAELP C[N@@H+]1C[C@H]([NH3+])C[C@H]1c1ccc(O)cc1 250640075 572502388 /nfs/dbraw/zinc/50/23/88/572502388.db2.gz SWXIPALMXOSAGH-KOLCDFICSA-N 2 2 192.262 1.096 10 0 ADAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])c2ccccn2)C1 250639396 572500977 /nfs/dbraw/zinc/50/09/77/572500977.db2.gz SSZOYQYUQFKMLQ-GXSJLCMTSA-N 2 2 191.278 1.033 10 0 ADAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2ccccn2)C1 250639396 572500983 /nfs/dbraw/zinc/50/09/83/572500983.db2.gz SSZOYQYUQFKMLQ-GXSJLCMTSA-N 2 2 191.278 1.033 10 0 ADAELP CC[NH2+][C@H](C)[C@H]([NH2+]C)c1ccccc1 238272052 572501214 /nfs/dbraw/zinc/50/12/14/572501214.db2.gz NVZIKKUHSJEXKK-PWSUYJOCSA-N 2 2 192.306 1.945 10 0 ADAELP C[C@@H]1C[N@H+](Cc2ccco2)CCC[NH2+]1 62567787 572501818 /nfs/dbraw/zinc/50/18/18/572501818.db2.gz WREBIVUJHSTLCD-SNVBAGLBSA-N 2 2 194.278 1.463 10 0 ADAELP C[C@@H]1C[N@@H+](Cc2ccco2)CCC[NH2+]1 62567787 572501827 /nfs/dbraw/zinc/50/18/27/572501827.db2.gz WREBIVUJHSTLCD-SNVBAGLBSA-N 2 2 194.278 1.463 10 0 ADAELP C[N@@H+]1CCCCC[C@H]1[C@@H]([NH3+])C1CC1 250638786 572501976 /nfs/dbraw/zinc/50/19/76/572501976.db2.gz SPECIIGAVIEHDG-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+]1CCCCC[C@H]1[C@@H]([NH3+])C1CC1 250638786 572501979 /nfs/dbraw/zinc/50/19/79/572501979.db2.gz SPECIIGAVIEHDG-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+]1C[C@H]([NH3+])C[C@H]1c1ccc(O)cc1 250640075 572502394 /nfs/dbraw/zinc/50/23/94/572502394.db2.gz SWXIPALMXOSAGH-KOLCDFICSA-N 2 2 192.262 1.096 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCC[C@@H]1C(C)C 84125837 572503751 /nfs/dbraw/zinc/50/37/51/572503751.db2.gz PGLRQUVZRKTRHN-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCC[C@@H]1C(C)C 84125837 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/nfs/dbraw/zinc/50/36/14/572503614.db2.gz PGLRQUVZRKTRHN-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H]1CCC[N@@H+]1C[C@H]([NH3+])C1CC1 84125679 572503877 /nfs/dbraw/zinc/50/38/77/572503877.db2.gz JRDORJAMCWRSFA-NWDGAFQWSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@H]1CCC[N@H+]1C[C@H]([NH3+])C1CC1 84125679 572503880 /nfs/dbraw/zinc/50/38/80/572503880.db2.gz JRDORJAMCWRSFA-NWDGAFQWSA-N 2 2 196.338 1.844 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2ccccn2)C1 250639399 572504791 /nfs/dbraw/zinc/50/47/91/572504791.db2.gz SSZOYQYUQFKMLQ-MWLCHTKSSA-N 2 2 191.278 1.033 10 0 ADAELP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2ccccn2)C1 250639399 572504793 /nfs/dbraw/zinc/50/47/93/572504793.db2.gz SSZOYQYUQFKMLQ-MWLCHTKSSA-N 2 2 191.278 1.033 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])C1CC1 84125677 572504896 /nfs/dbraw/zinc/50/48/96/572504896.db2.gz JRDORJAMCWRSFA-RYUDHWBXSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1C[C@H]([NH3+])C1CC1 84125677 572504899 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2 198.310 1.039 10 0 ADAELP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccoc1 87472197 572505777 /nfs/dbraw/zinc/50/57/77/572505777.db2.gz QTNVPXDUIRCPRF-SNVBAGLBSA-N 2 2 196.294 1.882 10 0 ADAELP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccoc1 87472197 572505779 /nfs/dbraw/zinc/50/57/79/572505779.db2.gz QTNVPXDUIRCPRF-SNVBAGLBSA-N 2 2 196.294 1.882 10 0 ADAELP CC1(C)C[C@H]1[NH2+][C@@H]1C[NH+]2CCC1CC2 45116808 572506425 /nfs/dbraw/zinc/50/64/25/572506425.db2.gz XERSFOIGSYDYTJ-GHMZBOCLSA-N 2 2 194.322 1.469 10 0 ADAELP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccco1 87472204 572506104 /nfs/dbraw/zinc/50/61/04/572506104.db2.gz KULWPSBGYYAMIV-JTQLQIEISA-N 2 2 196.294 1.882 10 0 ADAELP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccco1 87472204 572506106 /nfs/dbraw/zinc/50/61/06/572506106.db2.gz KULWPSBGYYAMIV-JTQLQIEISA-N 2 2 196.294 1.882 10 0 ADAELP C[NH2+]CCCN(C)c1ccc(C)[nH+]c1 87471844 572506816 /nfs/dbraw/zinc/50/68/16/572506816.db2.gz OOMNENBMWTXBHC-UHFFFAOYSA-N 2 2 193.294 1.436 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@@H]1C[NH+]2CCC1CC2 45116807 572506887 /nfs/dbraw/zinc/50/68/87/572506887.db2.gz XERSFOIGSYDYTJ-MNOVXSKESA-N 2 2 194.322 1.469 10 0 ADAELP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccoc1 87472196 572507321 /nfs/dbraw/zinc/50/73/21/572507321.db2.gz QTNVPXDUIRCPRF-JTQLQIEISA-N 2 2 196.294 1.882 10 0 ADAELP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccoc1 87472196 572507325 /nfs/dbraw/zinc/50/73/25/572507325.db2.gz QTNVPXDUIRCPRF-JTQLQIEISA-N 2 2 196.294 1.882 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+]C1(C)CC=CC1 713984841 572507398 /nfs/dbraw/zinc/50/73/98/572507398.db2.gz UBGIJXGEUJJUQX-JTQLQIEISA-N 2 2 182.311 1.635 10 0 ADAELP c1cn(CCCC[NH2+]C2CCC2)c[nH+]1 45106463 572507651 /nfs/dbraw/zinc/50/76/51/572507651.db2.gz MHLOFCFHVJZJKG-UHFFFAOYSA-N 2 2 193.294 1.805 10 0 ADAELP CC1(C)C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 45118317 572507683 /nfs/dbraw/zinc/50/76/83/572507683.db2.gz YYNBEGOSFOAMNX-DTWKUNHWSA-N 2 2 168.284 1.127 10 0 ADAELP C[C@H](CNc1ccc(N)c[nH+]1)[NH+](C)C 45106045 572507839 /nfs/dbraw/zinc/50/78/39/572507839.db2.gz GDYZLWISBMOUNA-MRVPVSSYSA-N 2 2 194.282 1.026 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 45118314 572508144 /nfs/dbraw/zinc/50/81/44/572508144.db2.gz YYNBEGOSFOAMNX-IUCAKERBSA-N 2 2 168.284 1.127 10 0 ADAELP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccco1 87472205 572508163 /nfs/dbraw/zinc/50/81/63/572508163.db2.gz KULWPSBGYYAMIV-SNVBAGLBSA-N 2 2 196.294 1.882 10 0 ADAELP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccco1 87472205 572508167 /nfs/dbraw/zinc/50/81/67/572508167.db2.gz KULWPSBGYYAMIV-SNVBAGLBSA-N 2 2 196.294 1.882 10 0 ADAELP C[C@H](CNc1[nH+]cccc1N)[NH+](C)C 45106015 572508335 /nfs/dbraw/zinc/50/83/35/572508335.db2.gz SQWSYZSDTBNGTQ-MRVPVSSYSA-N 2 2 194.282 1.026 10 0 ADAELP C[N@@H+]1CC[C@@H](Cc2ccco2)[C@@H]([NH3+])C1 250643050 572508378 /nfs/dbraw/zinc/50/83/78/572508378.db2.gz UJFYKJPSGQTQGV-ONGXEEELSA-N 2 2 194.278 1.101 10 0 ADAELP C[N@H+]1CC[C@@H](Cc2ccco2)[C@@H]([NH3+])C1 250643050 572508381 /nfs/dbraw/zinc/50/83/81/572508381.db2.gz UJFYKJPSGQTQGV-ONGXEEELSA-N 2 2 194.278 1.101 10 0 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/nfs/dbraw/zinc/53/23/29/572532329.db2.gz SSCIAKUZFXHINQ-JOYOIKCWSA-N 2 2 190.290 1.563 10 0 ADAELP CC(C)(C)[C@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C1 250706244 572532430 /nfs/dbraw/zinc/53/24/30/572532430.db2.gz PYDBAXYRTQXFSF-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1 250706244 572532435 /nfs/dbraw/zinc/53/24/35/572532435.db2.gz PYDBAXYRTQXFSF-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccc2c(c1)CC[N@@H+](C)[C@H]2C[NH3+] 74273820 572532497 /nfs/dbraw/zinc/53/24/97/572532497.db2.gz JGSVJOUQICKEEI-LBPRGKRZSA-N 2 2 190.290 1.483 10 0 ADAELP Cc1ccc2c(c1)CC[N@H+](C)[C@H]2C[NH3+] 74273820 572532501 /nfs/dbraw/zinc/53/25/01/572532501.db2.gz JGSVJOUQICKEEI-LBPRGKRZSA-N 2 2 190.290 1.483 10 0 ADAELP Cc1c[nH]c(-c2cc(C[NH3+])c(C)[nH]2)[nH+]1 74274135 572532509 /nfs/dbraw/zinc/53/25/09/572532509.db2.gz HEJFGTSHODQOJG-UHFFFAOYSA-N 2 2 190.250 1.480 10 0 ADAELP Cc1[nH]c(-c2[nH+]ccn2C)cc1C[NH3+] 74274136 572532551 /nfs/dbraw/zinc/53/25/51/572532551.db2.gz NTDCQYHMIAGSOY-UHFFFAOYSA-N 2 2 190.250 1.182 10 0 ADAELP Cc1cccc2c1[C@@H](C[NH3+])[N@@H+](C)CC2 74273822 572532572 /nfs/dbraw/zinc/53/25/72/572532572.db2.gz NDOIHVIWSXBXJV-LLVKDONJSA-N 2 2 190.290 1.483 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 74273862 572532971 /nfs/dbraw/zinc/53/29/71/572532971.db2.gz HNJQLXUNVMDFKK-VXGBXAGGSA-N 2 2 190.290 1.118 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 74273862 572532974 /nfs/dbraw/zinc/53/29/74/572532974.db2.gz HNJQLXUNVMDFKK-VXGBXAGGSA-N 2 2 190.290 1.118 10 0 ADAELP CC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C1 250706241 572533015 /nfs/dbraw/zinc/53/30/15/572533015.db2.gz PYDBAXYRTQXFSF-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1 250706241 572533019 /nfs/dbraw/zinc/53/30/19/572533019.db2.gz PYDBAXYRTQXFSF-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CC[C@H](CC(C)(C)C)[C@H]([NH3+])C1 250709872 572533143 /nfs/dbraw/zinc/53/31/43/572533143.db2.gz RDLMDJZFUPYJDZ-NXEZZACHSA-N 2 2 184.327 1.702 10 0 ADAELP C[N@H+]1CC[C@H](CC(C)(C)C)[C@H]([NH3+])C1 250709872 572533147 /nfs/dbraw/zinc/53/31/47/572533147.db2.gz RDLMDJZFUPYJDZ-NXEZZACHSA-N 2 2 184.327 1.702 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 74273860 572533287 /nfs/dbraw/zinc/53/32/87/572533287.db2.gz HNJQLXUNVMDFKK-NWDGAFQWSA-N 2 2 190.290 1.118 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 74273860 572533292 /nfs/dbraw/zinc/53/32/92/572533292.db2.gz HNJQLXUNVMDFKK-NWDGAFQWSA-N 2 2 190.290 1.118 10 0 ADAELP C[C@@H]([NH3+])[C@H]1c2ccccc2CC[N@H+]1C 74273876 572533340 /nfs/dbraw/zinc/53/33/40/572533340.db2.gz SSCIAKUZFXHINQ-SKDRFNHKSA-N 2 2 190.290 1.563 10 0 ADAELP C[C@@H]([NH3+])[C@H]1c2ccccc2CC[N@@H+]1C 74273876 572533343 /nfs/dbraw/zinc/53/33/43/572533343.db2.gz SSCIAKUZFXHINQ-SKDRFNHKSA-N 2 2 190.290 1.563 10 0 ADAELP Cc1cccc2c1[C@H](C[NH3+])[N@H+](C)CC2 74273821 572533440 /nfs/dbraw/zinc/53/34/40/572533440.db2.gz NDOIHVIWSXBXJV-NSHDSACASA-N 2 2 190.290 1.483 10 0 ADAELP Cc1cccc2c1[C@H](C[NH3+])[N@@H+](C)CC2 74273821 572533442 /nfs/dbraw/zinc/53/34/42/572533442.db2.gz NDOIHVIWSXBXJV-NSHDSACASA-N 2 2 190.290 1.483 10 0 ADAELP CC1CCC(C[NH2+]CC[NH+](C)C)CC1 63145463 572533760 /nfs/dbraw/zinc/53/37/60/572533760.db2.gz XJBIVPFDLDRDCI-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP C[C@H]([NH3+])C[NH2+]Cc1ccsc1 63147283 572533794 /nfs/dbraw/zinc/53/37/94/572533794.db2.gz IFVRCHFNGPBPIG-ZETCQYMHSA-N 2 2 170.281 1.185 10 0 ADAELP CC[C@](C[NH2+]C)([NH2+]C)c1ccccc1 238294781 572533863 /nfs/dbraw/zinc/53/38/63/572533863.db2.gz QYQBVLFQZKYPSF-GFCCVEGCSA-N 2 2 192.306 1.731 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1c1ccccc1 74273792 572534051 /nfs/dbraw/zinc/53/40/51/572534051.db2.gz CNDFABSLDRAOAR-NWDGAFQWSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1c1ccccc1 74273792 572534054 /nfs/dbraw/zinc/53/40/54/572534054.db2.gz CNDFABSLDRAOAR-NWDGAFQWSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1c1ccccc1 74273791 572534077 /nfs/dbraw/zinc/53/40/77/572534077.db2.gz CNDFABSLDRAOAR-VXGBXAGGSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+]1C[C@H]([NH3+])CC[C@@H]1c1ccccc1 74273791 572534080 /nfs/dbraw/zinc/53/40/80/572534080.db2.gz CNDFABSLDRAOAR-VXGBXAGGSA-N 2 2 190.290 1.781 10 0 ADAELP CCC[C@@H]([NH3+])c1nccc2[nH+]ccn12 74273993 572534534 /nfs/dbraw/zinc/53/45/34/572534534.db2.gz HGARNYWKPAWTCH-MRVPVSSYSA-N 2 2 190.250 1.529 10 0 ADAELP Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]2[NH3+])c1 63176716 572534745 /nfs/dbraw/zinc/53/47/45/572534745.db2.gz FVCFPHFAPUSSEW-VHSXEESVSA-N 2 2 191.278 1.682 10 0 ADAELP Cc1cc[nH+]c(N[C@H]2CCC[C@H]2[NH3+])c1 63176721 572534878 /nfs/dbraw/zinc/53/48/78/572534878.db2.gz FVCFPHFAPUSSEW-ZJUUUORDSA-N 2 2 191.278 1.682 10 0 ADAELP Cc1nc(N[C@@H]2CCC[C@@H]2[NH3+])cc[nH+]1 63177223 572534939 /nfs/dbraw/zinc/53/49/39/572534939.db2.gz KBIMWAFNFDGAOZ-DTWKUNHWSA-N 2 2 192.266 1.077 10 0 ADAELP Cc1nc(N[C@H]2CCC[C@H]2[NH3+])cc[nH+]1 63177230 572535288 /nfs/dbraw/zinc/53/52/88/572535288.db2.gz KBIMWAFNFDGAOZ-BDAKNGLRSA-N 2 2 192.266 1.077 10 0 ADAELP Cc1nc(N[C@H]2CCC[C@@H]2[NH3+])cc[nH+]1 63177227 572535559 /nfs/dbraw/zinc/53/55/59/572535559.db2.gz KBIMWAFNFDGAOZ-IUCAKERBSA-N 2 2 192.266 1.077 10 0 ADAELP Cc1cc[nH+]c(N[C@@H]2CCC[C@H]2[NH3+])c1 63176720 572536856 /nfs/dbraw/zinc/53/68/56/572536856.db2.gz FVCFPHFAPUSSEW-NXEZZACHSA-N 2 2 191.278 1.682 10 0 ADAELP C[C@H]1CCC[C@H](C[NH2+]CC[NH+](C)C)C1 84340321 572538380 /nfs/dbraw/zinc/53/83/80/572538380.db2.gz CZJALHDSTISPIB-RYUDHWBXSA-N 2 2 198.354 1.964 10 0 ADAELP C[C@@H]1CCC[C@H](C[NH2+]CC[NH+](C)C)C1 84340320 572538884 /nfs/dbraw/zinc/53/88/84/572538884.db2.gz CZJALHDSTISPIB-NEPJUHHUSA-N 2 2 198.354 1.964 10 0 ADAELP Cc1cc[nH+]c(N)c1-n1cc[nH+]c1C 74277343 572539063 /nfs/dbraw/zinc/53/90/63/572539063.db2.gz LDLXNLJJZNGTEO-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP C[C@H]1CCC[C@@H](C[NH2+]CC[NH+](C)C)C1 84340325 572539134 /nfs/dbraw/zinc/53/91/34/572539134.db2.gz CZJALHDSTISPIB-NWDGAFQWSA-N 2 2 198.354 1.964 10 0 ADAELP C[C@@H]1CCC[C@@H](C[NH2+]CC[NH+](C)C)C1 84340323 572539568 /nfs/dbraw/zinc/53/95/68/572539568.db2.gz CZJALHDSTISPIB-VXGBXAGGSA-N 2 2 198.354 1.964 10 0 ADAELP Cc1csc([C@H](C[NH3+])[NH+](C)C)c1 74282595 572543421 /nfs/dbraw/zinc/54/34/21/572543421.db2.gz OWHJOHFPYOIAIY-QMMMGPOBSA-N 2 2 184.308 1.618 10 0 ADAELP CC[C@@](C[NH2+]C)([NH2+]C)c1ccccc1 238301491 572544194 /nfs/dbraw/zinc/54/41/94/572544194.db2.gz QYQBVLFQZKYPSF-LBPRGKRZSA-N 2 2 192.306 1.731 10 0 ADAELP C[NH+](C)[C@@H](CC[NH3+])c1cncs1 74281053 572545924 /nfs/dbraw/zinc/54/59/24/572545924.db2.gz DGRBCIQDSWXSDD-ZETCQYMHSA-N 2 2 185.296 1.095 10 0 ADAELP C[C@H](F)CC[N@H+](C)[C@H]1CCC[NH2+]C1 251234473 572546235 /nfs/dbraw/zinc/54/62/35/572546235.db2.gz QYPAELOBTUTUIK-UWVGGRQHSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@H](F)CC[N@@H+](C)[C@H]1CCC[NH2+]C1 251234473 572546237 /nfs/dbraw/zinc/54/62/37/572546237.db2.gz QYPAELOBTUTUIK-UWVGGRQHSA-N 2 2 188.290 1.418 10 0 ADAELP C[N@@H+]1CC[C@H]2CC(C)(C)[NH2+][C@@H]2C1 251214608 572546342 /nfs/dbraw/zinc/54/63/42/572546342.db2.gz YEMBZBMRZAUQFZ-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@H]2CC(C)(C)[NH2+][C@@H]2C1 251214608 572546346 /nfs/dbraw/zinc/54/63/46/572546346.db2.gz YEMBZBMRZAUQFZ-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP c1cc2c(c[nH+]1)NCCc1c[nH+]cn1-2 74280507 572546481 /nfs/dbraw/zinc/54/64/81/572546481.db2.gz VJYMICZIMQEORU-UHFFFAOYSA-N 2 2 186.218 1.235 10 0 ADAELP c1cc2c(c[nH+]1)-n1c[nH+]cc1CCN2 74280504 572546738 /nfs/dbraw/zinc/54/67/38/572546738.db2.gz CVYHZDNOFBOGOM-UHFFFAOYSA-N 2 2 186.218 1.235 10 0 ADAELP C[NH+](C)[C@H](CC[NH3+])c1cncs1 74281055 572546820 /nfs/dbraw/zinc/54/68/20/572546820.db2.gz DGRBCIQDSWXSDD-SSDOTTSWSA-N 2 2 185.296 1.095 10 0 ADAELP CCC[C@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251240921 572546991 /nfs/dbraw/zinc/54/69/91/572546991.db2.gz AAZYLCQQLPOZKS-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP CCC[C@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251240921 572546995 /nfs/dbraw/zinc/54/69/95/572546995.db2.gz AAZYLCQQLPOZKS-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@@H+]1CC[C@@H]2CC(C)(C)[NH2+][C@@H]2C1 251214610 572547054 /nfs/dbraw/zinc/54/70/54/572547054.db2.gz YEMBZBMRZAUQFZ-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1CC[C@@H]2CC(C)(C)[NH2+][C@@H]2C1 251214610 572547057 /nfs/dbraw/zinc/54/70/57/572547057.db2.gz YEMBZBMRZAUQFZ-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP CCC[C@@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251240928 572547470 /nfs/dbraw/zinc/54/74/70/572547470.db2.gz AAZYLCQQLPOZKS-MWLCHTKSSA-N 2 2 182.311 1.598 10 0 ADAELP CCC[C@@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251240928 572547474 /nfs/dbraw/zinc/54/74/74/572547474.db2.gz AAZYLCQQLPOZKS-MWLCHTKSSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@H](C)CC[N@@H+]1CCC[NH2+]CC1 238309899 572548247 /nfs/dbraw/zinc/54/82/47/572548247.db2.gz VKXRIMJWLAYDIN-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP CC[C@H](C)CC[N@H+]1CCC[NH2+]CC1 238309899 572548251 /nfs/dbraw/zinc/54/82/51/572548251.db2.gz VKXRIMJWLAYDIN-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP C[C@@H](F)CC[N@H+](C)[C@H]1CCC[NH2+]C1 251234474 572549088 /nfs/dbraw/zinc/54/90/88/572549088.db2.gz QYPAELOBTUTUIK-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H](F)CC[N@@H+](C)[C@H]1CCC[NH2+]C1 251234474 572549092 /nfs/dbraw/zinc/54/90/92/572549092.db2.gz QYPAELOBTUTUIK-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnco1 84414650 572550381 /nfs/dbraw/zinc/55/03/81/572550381.db2.gz WLLKQAAHHWIMPB-VIFPVBQESA-N 2 2 197.282 1.104 10 0 ADAELP C[C@@H](C[NH3+])[NH2+][C@@H]1COc2ccccc21 235149176 572550511 /nfs/dbraw/zinc/55/05/11/572550511.db2.gz GEBUISRKRICPOK-WCBMZHEXSA-N 2 2 192.262 1.057 10 0 ADAELP CC[C@@H](C)C(=O)C[NH+]1CCC([NH3+])CC1 87535876 572552788 /nfs/dbraw/zinc/55/27/88/572552788.db2.gz OSTPBDRHEQDVHY-SECBINFHSA-N 2 2 198.310 1.025 10 0 ADAELP CC(C)CC[C@H]1C[C@H]([NH3+])C[N@H+](C)C1 74282083 572551132 /nfs/dbraw/zinc/55/11/32/572551132.db2.gz MIUMCDHEMUMDOO-QWRGUYRKSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)CC[C@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74282083 572551137 /nfs/dbraw/zinc/55/11/37/572551137.db2.gz MIUMCDHEMUMDOO-QWRGUYRKSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[C@@H]2CCC[N@@H+]2C1 238314471 572551192 /nfs/dbraw/zinc/55/11/92/572551192.db2.gz OONUASDSNXYVEK-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[C@@H]2CCC[N@H+]2C1 238314471 572551196 /nfs/dbraw/zinc/55/11/96/572551196.db2.gz OONUASDSNXYVEK-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)CC[C@@H]1C[C@@H]([NH3+])C[N@H+](C)C1 74282086 572551568 /nfs/dbraw/zinc/55/15/68/572551568.db2.gz MIUMCDHEMUMDOO-GHMZBOCLSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)CC[C@@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 74282086 572551572 /nfs/dbraw/zinc/55/15/72/572551572.db2.gz MIUMCDHEMUMDOO-GHMZBOCLSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[C@@H]2CCC[N@@H+]2C1 238314588 572551795 /nfs/dbraw/zinc/55/17/95/572551795.db2.gz OONUASDSNXYVEK-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[C@@H]2CCC[N@H+]2C1 238314588 572551801 /nfs/dbraw/zinc/55/18/01/572551801.db2.gz OONUASDSNXYVEK-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnco1 84414654 572551991 /nfs/dbraw/zinc/55/19/91/572551991.db2.gz WLLKQAAHHWIMPB-SECBINFHSA-N 2 2 197.282 1.104 10 0 ADAELP CC(C)CC[C@@H]1C[C@H]([NH3+])C[N@H+](C)C1 74282081 572552049 /nfs/dbraw/zinc/55/20/49/572552049.db2.gz MIUMCDHEMUMDOO-MNOVXSKESA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)CC[C@@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74282081 572552054 /nfs/dbraw/zinc/55/20/54/572552054.db2.gz MIUMCDHEMUMDOO-MNOVXSKESA-N 2 2 184.327 1.702 10 0 ADAELP [NH3+]CC[C@H]1CCC[N@H+](CC(F)F)C1 69626534 572552922 /nfs/dbraw/zinc/55/29/22/572552922.db2.gz JZZPLYWLRIHFAU-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP [NH3+]CC[C@H]1CCC[N@@H+](CC(F)F)C1 69626534 572552925 /nfs/dbraw/zinc/55/29/25/572552925.db2.gz JZZPLYWLRIHFAU-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP CC[C@H](C)C(=O)C[NH+]1CCC([NH3+])CC1 87535878 572553198 /nfs/dbraw/zinc/55/31/98/572553198.db2.gz OSTPBDRHEQDVHY-VIFPVBQESA-N 2 2 198.310 1.025 10 0 ADAELP CC(C)(C)C[C@@H]1CC[N@H+](CC(N)=[NH2+])C1 307806108 572553464 /nfs/dbraw/zinc/55/34/64/572553464.db2.gz KXGSIZYWKAVNFK-VIFPVBQESA-N 2 2 197.326 1.680 10 0 ADAELP CC(C)(C)C[C@@H]1CC[N@@H+](CC(N)=[NH2+])C1 307806108 572553468 /nfs/dbraw/zinc/55/34/68/572553468.db2.gz KXGSIZYWKAVNFK-VIFPVBQESA-N 2 2 197.326 1.680 10 0 ADAELP CC(C)C[C@@H]1CC[N@H+](CC(N)=[NH2+])C1 307806275 572554345 /nfs/dbraw/zinc/55/43/45/572554345.db2.gz LEGPSPFDSHOQSV-VIFPVBQESA-N 2 2 183.299 1.290 10 0 ADAELP C[NH2+]CCCN(C)c1cccc[nH+]1 84446032 572553951 /nfs/dbraw/zinc/55/39/51/572553951.db2.gz PMQRVWLMRRXCIN-UHFFFAOYSA-N 2 2 179.267 1.127 10 0 ADAELP CC(C)(C)C[C@H]1CC[N@H+](CC(N)=[NH2+])C1 307806106 572553987 /nfs/dbraw/zinc/55/39/87/572553987.db2.gz KXGSIZYWKAVNFK-SECBINFHSA-N 2 2 197.326 1.680 10 0 ADAELP CC(C)(C)C[C@H]1CC[N@@H+](CC(N)=[NH2+])C1 307806106 572553993 /nfs/dbraw/zinc/55/39/93/572553993.db2.gz KXGSIZYWKAVNFK-SECBINFHSA-N 2 2 197.326 1.680 10 0 ADAELP CC(C)CC[C@H]1C[C@@H]([NH3+])C[N@H+](C)C1 74282088 572554321 /nfs/dbraw/zinc/55/43/21/572554321.db2.gz MIUMCDHEMUMDOO-WDEREUQCSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)CC[C@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 74282088 572554326 /nfs/dbraw/zinc/55/43/26/572554326.db2.gz MIUMCDHEMUMDOO-WDEREUQCSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)C[C@@H]1CC[N@@H+](CC(N)=[NH2+])C1 307806275 572554349 /nfs/dbraw/zinc/55/43/49/572554349.db2.gz LEGPSPFDSHOQSV-VIFPVBQESA-N 2 2 183.299 1.290 10 0 ADAELP C[N@H+]1C[C@H]2[NH2+]C(C)(C)CC[C@@H]2C1 251211286 572555263 /nfs/dbraw/zinc/55/52/63/572555263.db2.gz XOQCHIYASVNIMZ-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1C[C@H]2[NH2+]C(C)(C)CC[C@@H]2C1 251211286 572555268 /nfs/dbraw/zinc/55/52/68/572555268.db2.gz XOQCHIYASVNIMZ-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1C[C@@H]2CCC(C)(C)[NH2+][C@@H]2C1 251211284 572555669 /nfs/dbraw/zinc/55/56/69/572555669.db2.gz XOQCHIYASVNIMZ-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@H+]1C[C@@H]2CCC(C)(C)[NH2+][C@@H]2C1 251211284 572555674 /nfs/dbraw/zinc/55/56/74/572555674.db2.gz XOQCHIYASVNIMZ-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)C[C@H]1CC[N@H+](CC(N)=[NH2+])C1 307806270 572556173 /nfs/dbraw/zinc/55/61/73/572556173.db2.gz LEGPSPFDSHOQSV-SECBINFHSA-N 2 2 183.299 1.290 10 0 ADAELP CC(C)C[C@H]1CC[N@@H+](CC(N)=[NH2+])C1 307806270 572556175 /nfs/dbraw/zinc/55/61/75/572556175.db2.gz LEGPSPFDSHOQSV-SECBINFHSA-N 2 2 183.299 1.290 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](C(C)(C)C2CC2)C1 234471049 572556642 /nfs/dbraw/zinc/55/66/42/572556642.db2.gz ZAZOHZCTYYNAOB-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+](C(C)(C)C2CC2)C1 234471049 572556646 /nfs/dbraw/zinc/55/66/46/572556646.db2.gz ZAZOHZCTYYNAOB-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH3+])n1c[nH+]c2c1CSC2 74284588 572556730 /nfs/dbraw/zinc/55/67/30/572556730.db2.gz PNARUJFNFWUHQJ-LURJTMIESA-N 2 2 183.280 1.150 10 0 ADAELP C[C@H](F)CC[N@H+](C)[C@H]1CC[NH2+]C1 251276516 572557048 /nfs/dbraw/zinc/55/70/48/572557048.db2.gz YOMYXVZMKUHQJR-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H](F)CC[N@@H+](C)[C@H]1CC[NH2+]C1 251276516 572557052 /nfs/dbraw/zinc/55/70/52/572557052.db2.gz YOMYXVZMKUHQJR-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H](C[NH3+])n1c[nH+]c2c1CSC2 74284589 572557214 /nfs/dbraw/zinc/55/72/14/572557214.db2.gz PNARUJFNFWUHQJ-ZCFIWIBFSA-N 2 2 183.280 1.150 10 0 ADAELP C[NH2+]CC(=[NH2+])c1ccc(OC)cc1 238319972 572557367 /nfs/dbraw/zinc/55/73/67/572557367.db2.gz XTLCWKPXAHHEIL-UHFFFAOYSA-N 2 2 178.235 1.282 10 0 ADAELP C[NH2+][C@@H](C)[C@@H]([NH2+]C)c1ccc(O)cc1 238319270 572557571 /nfs/dbraw/zinc/55/75/71/572557571.db2.gz UAUVMERZCFBKNF-GZMMTYOYSA-N 2 2 194.278 1.261 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 45649850 572563533 /nfs/dbraw/zinc/56/35/33/572563533.db2.gz VVUPOPWHPPNSID-SNVBAGLBSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+][C@@H](C)[C@H]([NH2+]C)c1ccc(O)cc1 238320290 572557665 /nfs/dbraw/zinc/55/76/65/572557665.db2.gz UAUVMERZCFBKNF-KWQFWETISA-N 2 2 194.278 1.261 10 0 ADAELP C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C 238319227 572558337 /nfs/dbraw/zinc/55/83/37/572558337.db2.gz VCBMLRQIUCADHM-CMPLNLGQSA-N 2 2 192.306 1.897 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1C/C=C\Cl 307808211 572558427 /nfs/dbraw/zinc/55/84/27/572558427.db2.gz YDOHMXYTASHMBR-LTMVXPGCSA-N 2 2 174.675 1.162 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1C/C=C\Cl 307808211 572558430 /nfs/dbraw/zinc/55/84/30/572558430.db2.gz YDOHMXYTASHMBR-LTMVXPGCSA-N 2 2 174.675 1.162 10 0 ADAELP C[C@@H](F)CC[N@H+](C)[C@H]1CC[NH2+]C1 251276512 572558671 /nfs/dbraw/zinc/55/86/71/572558671.db2.gz YOMYXVZMKUHQJR-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H](F)CC[N@@H+](C)[C@H]1CC[NH2+]C1 251276512 572558675 /nfs/dbraw/zinc/55/86/75/572558675.db2.gz YOMYXVZMKUHQJR-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C 238320245 572558817 /nfs/dbraw/zinc/55/88/17/572558817.db2.gz VCBMLRQIUCADHM-JQWIXIFHSA-N 2 2 192.306 1.897 10 0 ADAELP C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C 238325548 572560384 /nfs/dbraw/zinc/56/03/84/572560384.db2.gz VCBMLRQIUCADHM-ZYHUDNBSSA-N 2 2 192.306 1.897 10 0 ADAELP C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C 238326687 572560543 /nfs/dbraw/zinc/56/05/43/572560543.db2.gz VCBMLRQIUCADHM-PWSUYJOCSA-N 2 2 192.306 1.897 10 0 ADAELP C[NH2+][C@H](C)[C@H]([NH2+]C)c1ccc(O)cc1 238326739 572561536 /nfs/dbraw/zinc/56/15/36/572561536.db2.gz UAUVMERZCFBKNF-KCJUWKMLSA-N 2 2 194.278 1.261 10 0 ADAELP C[NH2+][C@@H](c1ccc(O)cc1)[C@@H](C)[NH2+]C 238325607 572562118 /nfs/dbraw/zinc/56/21/18/572562118.db2.gz UAUVMERZCFBKNF-LDYMZIIASA-N 2 2 194.278 1.261 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 45649848 572562327 /nfs/dbraw/zinc/56/23/27/572562327.db2.gz VVUPOPWHPPNSID-JTQLQIEISA-N 2 2 168.284 1.221 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+]C2CC2)C1 45649848 572562329 /nfs/dbraw/zinc/56/23/29/572562329.db2.gz VVUPOPWHPPNSID-JTQLQIEISA-N 2 2 168.284 1.221 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45649900 572562386 /nfs/dbraw/zinc/56/23/86/572562386.db2.gz YWKMDTWATBXBSO-JTQLQIEISA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 45649900 572562389 /nfs/dbraw/zinc/56/23/89/572562389.db2.gz YWKMDTWATBXBSO-JTQLQIEISA-N 2 2 170.300 1.467 10 0 ADAELP CC[C@@H](C)[C@@H](C[N@H+](C)CC)[NH2+]C 87528050 572562552 /nfs/dbraw/zinc/56/25/52/572562552.db2.gz AFBIHHRNGHQNAE-NXEZZACHSA-N 2 2 172.316 1.572 10 0 ADAELP CC[C@@H](C)[C@@H](C[N@@H+](C)CC)[NH2+]C 87528050 572562554 /nfs/dbraw/zinc/56/25/54/572562554.db2.gz AFBIHHRNGHQNAE-NXEZZACHSA-N 2 2 172.316 1.572 10 0 ADAELP CC[NH2+][C@H](Cn1cc[nH+]c1)[C@@H](C)CC 87531130 572562582 /nfs/dbraw/zinc/56/25/82/572562582.db2.gz SWVKPRKDMSGAED-WDEREUQCSA-N 2 2 195.310 1.907 10 0 ADAELP CC[N@H+](C)C[C@@H]([NH2+]C)C(C)C 87528047 572562593 /nfs/dbraw/zinc/56/25/93/572562593.db2.gz NWGMWKQRWVZESN-SECBINFHSA-N 2 2 158.289 1.182 10 0 ADAELP CC[N@@H+](C)C[C@@H]([NH2+]C)C(C)C 87528047 572562597 /nfs/dbraw/zinc/56/25/97/572562597.db2.gz NWGMWKQRWVZESN-SECBINFHSA-N 2 2 158.289 1.182 10 0 ADAELP CC[NH2+][C@@H](C[N@H+](C)CC)[C@H](C)CC 87528032 572562663 /nfs/dbraw/zinc/56/26/63/572562663.db2.gz FZSZPRASIACVEP-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@@H](C[N@@H+](C)CC)[C@H](C)CC 87528032 572562668 /nfs/dbraw/zinc/56/26/68/572562668.db2.gz FZSZPRASIACVEP-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CCC[NH2+][C@H](Cn1cc[nH+]c1)C(C)C 87531093 572562707 /nfs/dbraw/zinc/56/27/07/572562707.db2.gz XYIURZGJGRTLBK-LLVKDONJSA-N 2 2 195.310 1.907 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])Cn1cc[nH+]c1 87531097 572562911 /nfs/dbraw/zinc/56/29/11/572562911.db2.gz ZEHUPAIBZMSMGU-DTWKUNHWSA-N 2 2 167.256 1.257 10 0 ADAELP CC[C@H](C)[C@H](Cn1cc[nH+]c1)[NH2+]C 87531120 572563138 /nfs/dbraw/zinc/56/31/38/572563138.db2.gz IJQRDMUPWDQBIX-UWVGGRQHSA-N 2 2 181.283 1.517 10 0 ADAELP CC[C@H](C)[C@H](C[N@H+](C)CC)[NH2+]C 87528060 572563158 /nfs/dbraw/zinc/56/31/58/572563158.db2.gz AFBIHHRNGHQNAE-UWVGGRQHSA-N 2 2 172.316 1.572 10 0 ADAELP CC[C@H](C)[C@H](C[N@@H+](C)CC)[NH2+]C 87528060 572563162 /nfs/dbraw/zinc/56/31/62/572563162.db2.gz AFBIHHRNGHQNAE-UWVGGRQHSA-N 2 2 172.316 1.572 10 0 ADAELP CC[N@H+](C[C@@H]([NH2+]C)C(C)C)C1CC1 87528090 572563251 /nfs/dbraw/zinc/56/32/51/572563251.db2.gz OGPUTFWDWNJBPW-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C[C@@H]([NH2+]C)C(C)C)C1CC1 87528090 572563256 /nfs/dbraw/zinc/56/32/56/572563256.db2.gz OGPUTFWDWNJBPW-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]CCCCC1=[NH+]CCS1 238332304 572563445 /nfs/dbraw/zinc/56/34/45/572563445.db2.gz RCORAYBJPZXFCK-UHFFFAOYSA-N 2 2 172.297 1.521 10 0 ADAELP CC[NH2+][C@H](C[N@H+](C)CC)C(C)C 87528064 572563500 /nfs/dbraw/zinc/56/35/00/572563500.db2.gz VQFDPBMNIFIVNA-SNVBAGLBSA-N 2 2 172.316 1.572 10 0 ADAELP CC[NH2+][C@H](C[N@@H+](C)CC)C(C)C 87528064 572563505 /nfs/dbraw/zinc/56/35/05/572563505.db2.gz VQFDPBMNIFIVNA-SNVBAGLBSA-N 2 2 172.316 1.572 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 45649850 572563527 /nfs/dbraw/zinc/56/35/27/572563527.db2.gz VVUPOPWHPPNSID-SNVBAGLBSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)[C@H](C)CC 87531131 572563652 /nfs/dbraw/zinc/56/36/52/572563652.db2.gz SWVKPRKDMSGAED-MNOVXSKESA-N 2 2 195.310 1.907 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC2(C)C)C1 45655772 572563850 /nfs/dbraw/zinc/56/38/50/572563850.db2.gz HTHPJVHRYCODMV-GHMZBOCLSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC2(C)C)C1 45655772 572563860 /nfs/dbraw/zinc/56/38/60/572563860.db2.gz HTHPJVHRYCODMV-GHMZBOCLSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H](C)[C@H]([NH3+])Cn1cc[nH+]c1 87531095 572563947 /nfs/dbraw/zinc/56/39/47/572563947.db2.gz ZEHUPAIBZMSMGU-RKDXNWHRSA-N 2 2 167.256 1.257 10 0 ADAELP CC[NH2+][C@H](C[N@H+](C)C1CC1)C(C)C 87528153 572564062 /nfs/dbraw/zinc/56/40/62/572564062.db2.gz QTLZYTOIDMCYLK-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH2+][C@H](C[N@@H+](C)C1CC1)C(C)C 87528153 572564064 /nfs/dbraw/zinc/56/40/64/572564064.db2.gz QTLZYTOIDMCYLK-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH2+][C@@H](C[N@H+](C)CC)C(C)C 87528061 572564212 /nfs/dbraw/zinc/56/42/12/572564212.db2.gz VQFDPBMNIFIVNA-JTQLQIEISA-N 2 2 172.316 1.572 10 0 ADAELP CC[NH2+][C@@H](C[N@@H+](C)CC)C(C)C 87528061 572564216 /nfs/dbraw/zinc/56/42/16/572564216.db2.gz VQFDPBMNIFIVNA-JTQLQIEISA-N 2 2 172.316 1.572 10 0 ADAELP C[NH2+][C@H](Cn1cc[nH+]c1)C(C)C 87531111 572564289 /nfs/dbraw/zinc/56/42/89/572564289.db2.gz NIOHQEQKUZQIQI-SECBINFHSA-N 2 2 167.256 1.127 10 0 ADAELP CC[C@H](C)[C@@H](C[N@H+](C)CC)[NH2+]C 87528053 572564329 /nfs/dbraw/zinc/56/43/29/572564329.db2.gz AFBIHHRNGHQNAE-VHSXEESVSA-N 2 2 172.316 1.572 10 0 ADAELP CC[C@H](C)[C@@H](C[N@@H+](C)CC)[NH2+]C 87528053 572564330 /nfs/dbraw/zinc/56/43/30/572564330.db2.gz AFBIHHRNGHQNAE-VHSXEESVSA-N 2 2 172.316 1.572 10 0 ADAELP CC[NH2+][C@H](Cn1cc[nH+]c1)[C@H](C)CC 87531126 572564365 /nfs/dbraw/zinc/56/43/65/572564365.db2.gz SWVKPRKDMSGAED-GHMZBOCLSA-N 2 2 195.310 1.907 10 0 ADAELP CC[C@H](C)[C@@H](C[N@H+](C)C1CC1)[NH2+]C 87528143 572564379 /nfs/dbraw/zinc/56/43/79/572564379.db2.gz QLBJZONJTBESMM-GXSJLCMTSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[C@@H](C[N@@H+](C)C1CC1)[NH2+]C 87528143 572564384 /nfs/dbraw/zinc/56/43/84/572564384.db2.gz QLBJZONJTBESMM-GXSJLCMTSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C[N@@H+]1CCC[C@H](C)C1)C(C)C 87527598 572564740 /nfs/dbraw/zinc/56/47/40/572564740.db2.gz XGPCZGVSKUJGSU-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@@H](C[N@H+]1CCC[C@H](C)C1)C(C)C 87527598 572564742 /nfs/dbraw/zinc/56/47/42/572564742.db2.gz XGPCZGVSKUJGSU-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C)[C@@H](Cn1cc[nH+]c1)[NH2+]C 87531115 572564478 /nfs/dbraw/zinc/56/44/78/572564478.db2.gz IJQRDMUPWDQBIX-NXEZZACHSA-N 2 2 181.283 1.517 10 0 ADAELP CC[NH2+][C@@H](C[N@H+](C)C1CC1)C(C)C 87528151 572564541 /nfs/dbraw/zinc/56/45/41/572564541.db2.gz QTLZYTOIDMCYLK-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH2+][C@@H](C[N@@H+](C)C1CC1)C(C)C 87528151 572564548 /nfs/dbraw/zinc/56/45/48/572564548.db2.gz QTLZYTOIDMCYLK-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[C@@H](Cn1cc[nH+]c1)[NH2+]C 87531116 572564597 /nfs/dbraw/zinc/56/45/97/572564597.db2.gz IJQRDMUPWDQBIX-VHSXEESVSA-N 2 2 181.283 1.517 10 0 ADAELP C[NH2+][C@H](C[N@H+](C)C1CC1)C(C)C 87528135 572564645 /nfs/dbraw/zinc/56/46/45/572564645.db2.gz OCYKKMWUFJQEAM-SNVBAGLBSA-N 2 2 170.300 1.325 10 0 ADAELP C[NH2+][C@H](C[N@@H+](C)C1CC1)C(C)C 87528135 572564646 /nfs/dbraw/zinc/56/46/46/572564646.db2.gz OCYKKMWUFJQEAM-SNVBAGLBSA-N 2 2 170.300 1.325 10 0 ADAELP CCC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)C 87531092 572564654 /nfs/dbraw/zinc/56/46/54/572564654.db2.gz XYIURZGJGRTLBK-NSHDSACASA-N 2 2 195.310 1.907 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)C1 45655770 572564920 /nfs/dbraw/zinc/56/49/20/572564920.db2.gz HTHPJVHRYCODMV-WDEREUQCSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC2(C)C)C1 45655770 572564923 /nfs/dbraw/zinc/56/49/23/572564923.db2.gz HTHPJVHRYCODMV-WDEREUQCSA-N 2 2 196.338 1.857 10 0 ADAELP CC[NH2+][C@H](Cn1cc[nH+]c1)C(C)C 87531125 572564927 /nfs/dbraw/zinc/56/49/27/572564927.db2.gz OBLDXCYKTWWHGC-SNVBAGLBSA-N 2 2 181.283 1.517 10 0 ADAELP CC[NH2+][C@@H](C[N@H+](C)CC)[C@@H](C)CC 87528034 572564941 /nfs/dbraw/zinc/56/49/41/572564941.db2.gz FZSZPRASIACVEP-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 45649898 572564942 /nfs/dbraw/zinc/56/49/42/572564942.db2.gz YWKMDTWATBXBSO-SNVBAGLBSA-N 2 2 170.300 1.467 10 0 ADAELP CC[NH2+][C@@H](C[N@@H+](C)CC)[C@@H](C)CC 87528034 572564944 /nfs/dbraw/zinc/56/49/44/572564944.db2.gz FZSZPRASIACVEP-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 45649898 572564945 /nfs/dbraw/zinc/56/49/45/572564945.db2.gz YWKMDTWATBXBSO-SNVBAGLBSA-N 2 2 170.300 1.467 10 0 ADAELP CC[NH2+][C@H](C[N@H+](C)CC)[C@@H](C)CC 87528026 572565065 /nfs/dbraw/zinc/56/50/65/572565065.db2.gz FZSZPRASIACVEP-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@H](C[N@@H+](C)CC)[C@@H](C)CC 87528026 572565068 /nfs/dbraw/zinc/56/50/68/572565068.db2.gz FZSZPRASIACVEP-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C)[C@@H](C[N@H+](C)C1CC1)[NH2+]C 87528139 572565080 /nfs/dbraw/zinc/56/50/80/572565080.db2.gz QLBJZONJTBESMM-MWLCHTKSSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C)[C@@H](C[N@@H+](C)C1CC1)[NH2+]C 87528139 572565083 /nfs/dbraw/zinc/56/50/83/572565083.db2.gz QLBJZONJTBESMM-MWLCHTKSSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C)[C@@H]([NH3+])Cn1cc[nH+]c1 87531099 572565102 /nfs/dbraw/zinc/56/51/02/572565102.db2.gz ZEHUPAIBZMSMGU-BDAKNGLRSA-N 2 2 167.256 1.257 10 0 ADAELP CC[N@H+](C[C@H]([NH2+]C)C(C)C)C1CC1 87528087 572565177 /nfs/dbraw/zinc/56/51/77/572565177.db2.gz OGPUTFWDWNJBPW-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C[C@H]([NH2+]C)C(C)C)C1CC1 87528087 572565183 /nfs/dbraw/zinc/56/51/83/572565183.db2.gz OGPUTFWDWNJBPW-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)CC[C@H]1CC[N@H+](C)C[C@H]1[NH3+] 251350243 572565194 /nfs/dbraw/zinc/56/51/94/572565194.db2.gz BIFYWNBEOUVRGB-WDEREUQCSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)CC[C@H]1CC[N@@H+](C)C[C@H]1[NH3+] 251350243 572565196 /nfs/dbraw/zinc/56/51/96/572565196.db2.gz BIFYWNBEOUVRGB-WDEREUQCSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@@H](C)[C@H](C[N@H+](C)C1CC1)[NH2+]C 87528144 572565226 /nfs/dbraw/zinc/56/52/26/572565226.db2.gz QLBJZONJTBESMM-KOLCDFICSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C)[C@H](C[N@@H+](C)C1CC1)[NH2+]C 87528144 572565230 /nfs/dbraw/zinc/56/52/30/572565230.db2.gz QLBJZONJTBESMM-KOLCDFICSA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)[C@@H](C)CC 87531133 572565365 /nfs/dbraw/zinc/56/53/65/572565365.db2.gz SWVKPRKDMSGAED-QWRGUYRKSA-N 2 2 195.310 1.907 10 0 ADAELP CCC[NH2+][C@H](C[N@H+](C)CC)C(C)C 87528041 572565419 /nfs/dbraw/zinc/56/54/19/572565419.db2.gz GFIJVCNUOFHCSR-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP CCC[NH2+][C@H](C[N@@H+](C)CC)C(C)C 87528041 572565425 /nfs/dbraw/zinc/56/54/25/572565425.db2.gz GFIJVCNUOFHCSR-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)C 87531123 572565471 /nfs/dbraw/zinc/56/54/71/572565471.db2.gz OBLDXCYKTWWHGC-JTQLQIEISA-N 2 2 181.283 1.517 10 0 ADAELP C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)C 87531113 572565560 /nfs/dbraw/zinc/56/55/60/572565560.db2.gz NIOHQEQKUZQIQI-VIFPVBQESA-N 2 2 167.256 1.127 10 0 ADAELP CC[N@H+](C)C[C@H]([NH2+]C)C(C)C 87528043 572565728 /nfs/dbraw/zinc/56/57/28/572565728.db2.gz NWGMWKQRWVZESN-VIFPVBQESA-N 2 2 158.289 1.182 10 0 ADAELP CC[N@@H+](C)C[C@H]([NH2+]C)C(C)C 87528043 572565731 /nfs/dbraw/zinc/56/57/31/572565731.db2.gz NWGMWKQRWVZESN-VIFPVBQESA-N 2 2 158.289 1.182 10 0 ADAELP CC[C@@H](C)[C@H](Cn1cc[nH+]c1)[NH2+]C 87531118 572565745 /nfs/dbraw/zinc/56/57/45/572565745.db2.gz IJQRDMUPWDQBIX-ZJUUUORDSA-N 2 2 181.283 1.517 10 0 ADAELP CC[C@H](C)[C@@H]([NH3+])Cn1cc[nH+]c1 87531101 572565892 /nfs/dbraw/zinc/56/58/92/572565892.db2.gz ZEHUPAIBZMSMGU-IUCAKERBSA-N 2 2 167.256 1.257 10 0 ADAELP C[NH2+][C@@H](C[N@@H+]1CCC[C@@H](C)C1)C(C)C 87527595 572566133 /nfs/dbraw/zinc/56/61/33/572566133.db2.gz XGPCZGVSKUJGSU-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@@H](C[N@H+]1CCC[C@@H](C)C1)C(C)C 87527595 572566137 /nfs/dbraw/zinc/56/61/37/572566137.db2.gz XGPCZGVSKUJGSU-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@@H](C[N@H+](C)C1CC1)C(C)C 87528136 572566246 /nfs/dbraw/zinc/56/62/46/572566246.db2.gz OCYKKMWUFJQEAM-JTQLQIEISA-N 2 2 170.300 1.325 10 0 ADAELP C[NH2+][C@@H](C[N@@H+](C)C1CC1)C(C)C 87528136 572566248 /nfs/dbraw/zinc/56/62/48/572566248.db2.gz OCYKKMWUFJQEAM-JTQLQIEISA-N 2 2 170.300 1.325 10 0 ADAELP CCC[NH2+][C@@H](C[N@H+](C)CC)C(C)C 87528037 572566346 /nfs/dbraw/zinc/56/63/46/572566346.db2.gz GFIJVCNUOFHCSR-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP CCC[NH2+][C@@H](C[N@@H+](C)CC)C(C)C 87528037 572566353 /nfs/dbraw/zinc/56/63/53/572566353.db2.gz GFIJVCNUOFHCSR-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@H](C[N@H+](C)CC)[C@H](C)CC 87528025 572566440 /nfs/dbraw/zinc/56/64/40/572566440.db2.gz FZSZPRASIACVEP-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@H](C[N@@H+](C)CC)[C@H](C)CC 87528025 572566444 /nfs/dbraw/zinc/56/64/44/572566444.db2.gz FZSZPRASIACVEP-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251365780 572568786 /nfs/dbraw/zinc/56/87/86/572568786.db2.gz FCNBOMOUZPEETA-WDEREUQCSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[C@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251365777 572567064 /nfs/dbraw/zinc/56/70/64/572567064.db2.gz FCNBOMOUZPEETA-GHMZBOCLSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[C@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251365777 572567069 /nfs/dbraw/zinc/56/70/69/572567069.db2.gz FCNBOMOUZPEETA-GHMZBOCLSA-N 2 2 182.311 1.454 10 0 ADAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)C1(C)CC1 87551787 572571685 /nfs/dbraw/zinc/57/16/85/572571685.db2.gz DEHNOOVBFSWPHT-VIFPVBQESA-N 2 2 193.294 1.351 10 0 ADAELP c1cc2c[nH+]cc([C@@H]3CCC[NH2+]3)c2[nH]1 713727323 572568229 /nfs/dbraw/zinc/56/82/29/572568229.db2.gz DGVSMCQTUDKLAB-JTQLQIEISA-N 2 2 187.246 1.987 10 0 ADAELP CC(C)[C@@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251365780 572568790 /nfs/dbraw/zinc/56/87/90/572568790.db2.gz FCNBOMOUZPEETA-WDEREUQCSA-N 2 2 182.311 1.454 10 0 ADAELP c1cc2c[nH+]cc([C@H]3CCC[NH2+]3)c2[nH]1 713727331 572568840 /nfs/dbraw/zinc/56/88/40/572568840.db2.gz DGVSMCQTUDKLAB-SNVBAGLBSA-N 2 2 187.246 1.987 10 0 ADAELP C[C@H]([NH3+])Cc1ccc2[nH]c[nH+]c2c1 45821057 572568942 /nfs/dbraw/zinc/56/89/42/572568942.db2.gz GHVYFIHTVCDPST-ZETCQYMHSA-N 2 2 175.235 1.453 10 0 ADAELP CC(C)CC[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 251350239 572569111 /nfs/dbraw/zinc/56/91/11/572569111.db2.gz BIFYWNBEOUVRGB-GHMZBOCLSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)CC[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 251350239 572569113 /nfs/dbraw/zinc/56/91/13/572569113.db2.gz BIFYWNBEOUVRGB-GHMZBOCLSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)C[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 251392935 572572422 /nfs/dbraw/zinc/57/24/22/572572422.db2.gz KHYRUTVCTPQIMN-VHSXEESVSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)C[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 251392935 572572424 /nfs/dbraw/zinc/57/24/24/572572424.db2.gz KHYRUTVCTPQIMN-VHSXEESVSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)[C@H]1C[NH2+]C[N@@H+]2CCCC[C@@H]12 251423718 572570616 /nfs/dbraw/zinc/57/06/16/572570616.db2.gz QLQZCZLBVXXINH-MNOVXSKESA-N 2 2 182.311 1.674 10 0 ADAELP CC(C)[C@H]1C[NH2+]C[N@H+]2CCCC[C@@H]12 251423718 572570620 /nfs/dbraw/zinc/57/06/20/572570620.db2.gz QLQZCZLBVXXINH-MNOVXSKESA-N 2 2 182.311 1.674 10 0 ADAELP CC(C)C[C@@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251416530 572570807 /nfs/dbraw/zinc/57/08/07/572570807.db2.gz PAGWWKDYGLUCIL-CMPLNLGQSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)C[C@@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251416530 572570809 /nfs/dbraw/zinc/57/08/09/572570809.db2.gz PAGWWKDYGLUCIL-CMPLNLGQSA-N 2 2 196.338 1.844 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCSC[C@H]1C 69761638 572570841 /nfs/dbraw/zinc/57/08/41/572570841.db2.gz INKXLVFYPRWTFL-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCSC[C@H]1C 69761638 572570846 /nfs/dbraw/zinc/57/08/46/572570846.db2.gz INKXLVFYPRWTFL-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCSC[C@@H]1C 69761639 572571082 /nfs/dbraw/zinc/57/10/82/572571082.db2.gz INKXLVFYPRWTFL-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCSC[C@@H]1C 69761639 572571085 /nfs/dbraw/zinc/57/10/85/572571085.db2.gz INKXLVFYPRWTFL-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)C1(C)CC1 87551785 572571229 /nfs/dbraw/zinc/57/12/29/572571229.db2.gz DEHNOOVBFSWPHT-SECBINFHSA-N 2 2 193.294 1.351 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]CCCCF 308064835 572571322 /nfs/dbraw/zinc/57/13/22/572571322.db2.gz YDIXDYXJXVKQJH-SECBINFHSA-N 2 2 176.279 1.276 10 0 ADAELP CC(C)C[C@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251416531 572571408 /nfs/dbraw/zinc/57/14/08/572571408.db2.gz PAGWWKDYGLUCIL-ZYHUDNBSSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)C[C@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251416531 572571412 /nfs/dbraw/zinc/57/14/12/572571412.db2.gz PAGWWKDYGLUCIL-ZYHUDNBSSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)CC[C@@H]1C[N@H+](C)C[C@H]1[NH3+] 251414786 572571519 /nfs/dbraw/zinc/57/15/19/572571519.db2.gz OPXRLPCBVUJNFA-NXEZZACHSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)CC[C@@H]1C[N@@H+](C)C[C@H]1[NH3+] 251414786 572571523 /nfs/dbraw/zinc/57/15/23/572571523.db2.gz OPXRLPCBVUJNFA-NXEZZACHSA-N 2 2 170.300 1.312 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]([NH3+])C1(C)CC1 87550695 572572452 /nfs/dbraw/zinc/57/24/52/572572452.db2.gz ZWBQPOKSDHFEQI-SECBINFHSA-N 2 2 193.294 1.573 10 0 ADAELP CC(C)C[C@H]1CC[N@H+](C)C[C@H]1[NH3+] 251392934 572572705 /nfs/dbraw/zinc/57/27/05/572572705.db2.gz KHYRUTVCTPQIMN-NXEZZACHSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)C[C@H]1CC[N@@H+](C)C[C@H]1[NH3+] 251392934 572572708 /nfs/dbraw/zinc/57/27/08/572572708.db2.gz KHYRUTVCTPQIMN-NXEZZACHSA-N 2 2 170.300 1.312 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH3+])C1(C)CC1 87550693 572572936 /nfs/dbraw/zinc/57/29/36/572572936.db2.gz ZWBQPOKSDHFEQI-VIFPVBQESA-N 2 2 193.294 1.573 10 0 ADAELP C[NH2+][C@H](C)c1nnc([C@@H]([NH3+])C(C)C)o1 238339968 572572953 /nfs/dbraw/zinc/57/29/53/572572953.db2.gz JJHKVWFNKUEIOB-RQJHMYQMSA-N 2 2 198.270 1.006 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+]CCCCF 308064836 572572990 /nfs/dbraw/zinc/57/29/90/572572990.db2.gz YDIXDYXJXVKQJH-VIFPVBQESA-N 2 2 176.279 1.276 10 0 ADAELP CC(C)[C@@H]1C[NH2+]C[N@@H+]2CCCC[C@@H]12 251423719 572573243 /nfs/dbraw/zinc/57/32/43/572573243.db2.gz QLQZCZLBVXXINH-QWRGUYRKSA-N 2 2 182.311 1.674 10 0 ADAELP CC(C)[C@@H]1C[NH2+]C[N@H+]2CCCC[C@@H]12 251423719 572573244 /nfs/dbraw/zinc/57/32/44/572573244.db2.gz QLQZCZLBVXXINH-QWRGUYRKSA-N 2 2 182.311 1.674 10 0 ADAELP CC(C)CC[C@H]1C[N@H+](C)C[C@H]1[NH3+] 251414791 572573586 /nfs/dbraw/zinc/57/35/86/572573586.db2.gz OPXRLPCBVUJNFA-VHSXEESVSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)CC[C@H]1C[N@@H+](C)C[C@H]1[NH3+] 251414791 572573590 /nfs/dbraw/zinc/57/35/90/572573590.db2.gz OPXRLPCBVUJNFA-VHSXEESVSA-N 2 2 170.300 1.312 10 0 ADAELP CC[C@@H]1C[C@H]([NH3+])C[N@@H+]([C@H](C)C2CC2)C1 251506284 572574397 /nfs/dbraw/zinc/57/43/97/572574397.db2.gz FCNDTTHPXZNCCK-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@@H]1C[C@H]([NH3+])C[N@H+]([C@H](C)C2CC2)C1 251506284 572574401 /nfs/dbraw/zinc/57/44/01/572574401.db2.gz FCNDTTHPXZNCCK-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])CC1CC1 87581821 572574811 /nfs/dbraw/zinc/57/48/11/572574811.db2.gz GWOCEONDSNZSHZ-SECBINFHSA-N 2 2 179.267 1.090 10 0 ADAELP CCC[NH2+]CCn1cc(C)[nH+]c1CC 714504192 572574818 /nfs/dbraw/zinc/57/48/18/572574818.db2.gz NODOANHVGGOXQS-UHFFFAOYSA-N 2 2 195.310 1.754 10 0 ADAELP C1CCC([C@@H]2C[N@@H+]3CCC[C@H]3C[NH2+]2)C1 251468260 572574835 /nfs/dbraw/zinc/57/48/35/572574835.db2.gz VNUYRODEWDDKJQ-RYUDHWBXSA-N 2 2 194.322 1.613 10 0 ADAELP C1CCC([C@@H]2C[N@H+]3CCC[C@H]3C[NH2+]2)C1 251468260 572574837 /nfs/dbraw/zinc/57/48/37/572574837.db2.gz VNUYRODEWDDKJQ-RYUDHWBXSA-N 2 2 194.322 1.613 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])CC1CC1 87581823 572575554 /nfs/dbraw/zinc/57/55/54/572575554.db2.gz GWOCEONDSNZSHZ-VIFPVBQESA-N 2 2 179.267 1.090 10 0 ADAELP CC(C)[NH2+]Cc1c[nH+]c(C2(C)CC2)[nH]1 87554076 572575926 /nfs/dbraw/zinc/57/59/26/572575926.db2.gz ZHLHKGYDAAKGBA-UHFFFAOYSA-N 2 2 193.294 1.959 10 0 ADAELP CCC[NH2+]Cc1c[nH+]c(C2(C)CC2)[nH]1 87554075 572575816 /nfs/dbraw/zinc/57/58/16/572575816.db2.gz UCWUFYNRHBMYNK-UHFFFAOYSA-N 2 2 193.294 1.961 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(C2(C)CC2)[nH]1 87554074 572576066 /nfs/dbraw/zinc/57/60/66/572576066.db2.gz DSRYNAJTQSFXEA-UHFFFAOYSA-N 2 2 179.267 1.571 10 0 ADAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)CC1CC1 87582306 572576171 /nfs/dbraw/zinc/57/61/71/572576171.db2.gz DSUJJLPJBZWKEP-SNVBAGLBSA-N 2 2 193.294 1.351 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccccc1 69798543 572577690 /nfs/dbraw/zinc/57/76/90/572577690.db2.gz WRBGYJZVJVSZCB-RYUDHWBXSA-N 2 2 190.290 1.781 10 0 ADAELP C1CCC([C@H]2C[N@@H+]3CCC[C@H]3C[NH2+]2)C1 251468258 572576408 /nfs/dbraw/zinc/57/64/08/572576408.db2.gz VNUYRODEWDDKJQ-NWDGAFQWSA-N 2 2 194.322 1.613 10 0 ADAELP C1CCC([C@H]2C[N@H+]3CCC[C@H]3C[NH2+]2)C1 251468258 572576414 /nfs/dbraw/zinc/57/64/14/572576414.db2.gz VNUYRODEWDDKJQ-NWDGAFQWSA-N 2 2 194.322 1.613 10 0 ADAELP CC1(c2[nH]c(C[NH2+]C3CC3)c[nH+]2)CC1 87554078 572576445 /nfs/dbraw/zinc/57/64/45/572576445.db2.gz BKBZXPSKROCLKN-UHFFFAOYSA-N 2 2 191.278 1.713 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]([NH3+])CC1CC1 87581732 572576607 /nfs/dbraw/zinc/57/66/07/572576607.db2.gz HGKRDAKYDOJRAE-JTQLQIEISA-N 2 2 193.294 1.573 10 0 ADAELP CC[C@@H]1C[C@@H]([NH3+])C[N@@H+]([C@H](C)C2CC2)C1 251506283 572576618 /nfs/dbraw/zinc/57/66/18/572576618.db2.gz FCNDTTHPXZNCCK-CKYFFXLPSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@@H]1C[C@@H]([NH3+])C[N@H+]([C@H](C)C2CC2)C1 251506283 572576620 /nfs/dbraw/zinc/57/66/20/572576620.db2.gz FCNDTTHPXZNCCK-CKYFFXLPSA-N 2 2 196.338 1.844 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)C1C[C@@H]2C[C@@H]2C1 87563953 572576945 /nfs/dbraw/zinc/57/69/45/572576945.db2.gz SOCWAZIUQRWGPY-URJDPWSZSA-N 2 2 191.278 1.326 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)CC1CC1 87582307 572576999 /nfs/dbraw/zinc/57/69/99/572576999.db2.gz DSUJJLPJBZWKEP-JTQLQIEISA-N 2 2 193.294 1.351 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)C1C[C@@H]2C[C@@H]2C1 87563952 572577152 /nfs/dbraw/zinc/57/71/52/572577152.db2.gz SOCWAZIUQRWGPY-WPXGONGXSA-N 2 2 191.278 1.326 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH3+])CC1CC1 87581730 572577328 /nfs/dbraw/zinc/57/73/28/572577328.db2.gz HGKRDAKYDOJRAE-SNVBAGLBSA-N 2 2 193.294 1.573 10 0 ADAELP C[NH2+][C@H](C)c1nnc([C@H]([NH3+])C(C)C)o1 238340087 572577472 /nfs/dbraw/zinc/57/74/72/572577472.db2.gz JJHKVWFNKUEIOB-RNFRBKRXSA-N 2 2 198.270 1.006 10 0 ADAELP C[N@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccccc1 69798543 572577693 /nfs/dbraw/zinc/57/76/93/572577693.db2.gz WRBGYJZVJVSZCB-RYUDHWBXSA-N 2 2 190.290 1.781 10 0 ADAELP CC(C)[NH2+]Cc1c[nH+]c(CC2CC2)[nH]1 87583892 572577823 /nfs/dbraw/zinc/57/78/23/572577823.db2.gz IHPNCQFUYFIVGZ-UHFFFAOYSA-N 2 2 193.294 1.860 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccco1 69799305 572577872 /nfs/dbraw/zinc/57/78/72/572577872.db2.gz NGPJFYJGPBCFCT-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccco1 69799305 572577875 /nfs/dbraw/zinc/57/78/75/572577875.db2.gz NGPJFYJGPBCFCT-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP Cc1ccc([C@@H]2[C@@H]([NH3+])CC[N@H+]2C)cc1 69798961 572577999 /nfs/dbraw/zinc/57/79/99/572577999.db2.gz BKHOUPAUZKKMED-NWDGAFQWSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2C)cc1 69798961 572578002 /nfs/dbraw/zinc/57/80/02/572578002.db2.gz BKHOUPAUZKKMED-NWDGAFQWSA-N 2 2 190.290 1.699 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccccc1 69798545 572578027 /nfs/dbraw/zinc/57/80/27/572578027.db2.gz WRBGYJZVJVSZCB-NEPJUHHUSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccccc1 69798545 572578031 /nfs/dbraw/zinc/57/80/31/572578031.db2.gz WRBGYJZVJVSZCB-NEPJUHHUSA-N 2 2 190.290 1.781 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(CC2CC2)[nH]1 87583888 572578060 /nfs/dbraw/zinc/57/80/60/572578060.db2.gz PYILEIJNSHFSOZ-UHFFFAOYSA-N 2 2 179.267 1.472 10 0 ADAELP CC1(C)CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 69793117 572578165 /nfs/dbraw/zinc/57/81/65/572578165.db2.gz WZQOAJQMRBHYOH-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 69793117 572578169 /nfs/dbraw/zinc/57/81/69/572578169.db2.gz WZQOAJQMRBHYOH-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCCC(C)(C)C1 69793446 572578266 /nfs/dbraw/zinc/57/82/66/572578266.db2.gz WBWHVTSYMRSHAG-VIFPVBQESA-N 2 2 197.326 1.823 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CCCC(C)(C)C1 69793446 572578272 /nfs/dbraw/zinc/57/82/72/572578272.db2.gz WBWHVTSYMRSHAG-VIFPVBQESA-N 2 2 197.326 1.823 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2CCC2)C1 87584638 572578465 /nfs/dbraw/zinc/57/84/65/572578465.db2.gz MSXHWDNSZNULSP-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2CCC2)C1 87584638 572578472 /nfs/dbraw/zinc/57/84/72/572578472.db2.gz MSXHWDNSZNULSP-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP Cl/C=C/C[NH2+]CCn1cc[nH+]c1 236013813 572578629 /nfs/dbraw/zinc/57/86/29/572578629.db2.gz HSYNPPAPRJGUGW-OWOJBTEDSA-N 2 2 185.658 1.225 10 0 ADAELP CC1(C)CCC[N@@H+]([C@H]2CCC[C@@H]2[NH3+])C1 69793118 572578679 /nfs/dbraw/zinc/57/86/79/572578679.db2.gz WZQOAJQMRBHYOH-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CCC[N@H+]([C@H]2CCC[C@@H]2[NH3+])C1 69793118 572578683 /nfs/dbraw/zinc/57/86/83/572578683.db2.gz WZQOAJQMRBHYOH-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP c1[nH]cc(CC[NH2+]CC2CCC2)[nH+]1 87584661 572578870 /nfs/dbraw/zinc/57/88/70/572578870.db2.gz XJAKZLXKBKRGLP-UHFFFAOYSA-N 2 2 179.267 1.342 10 0 ADAELP c1[nH]c(CC[NH2+]CC2CCC2)c[nH+]1 87584661 572578872 /nfs/dbraw/zinc/57/88/72/572578872.db2.gz XJAKZLXKBKRGLP-UHFFFAOYSA-N 2 2 179.267 1.342 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccco1 69799303 572578890 /nfs/dbraw/zinc/57/88/90/572578890.db2.gz NGPJFYJGPBCFCT-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccco1 69799303 572578894 /nfs/dbraw/zinc/57/88/94/572578894.db2.gz NGPJFYJGPBCFCT-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP Cc1ccccc1[C@H]1[C@@H]([NH3+])CC[N@H+]1C 69799038 572579123 /nfs/dbraw/zinc/57/91/23/572579123.db2.gz FSBPXGFAJBSVTH-RYUDHWBXSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@H]1[C@@H]([NH3+])CC[N@@H+]1C 69799038 572579127 /nfs/dbraw/zinc/57/91/27/572579127.db2.gz FSBPXGFAJBSVTH-RYUDHWBXSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccc([C@H]2[C@H]([NH3+])CC[N@H+]2C)cc1 69798957 572579165 /nfs/dbraw/zinc/57/91/65/572579165.db2.gz BKHOUPAUZKKMED-NEPJUHHUSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccc([C@H]2[C@H]([NH3+])CC[N@@H+]2C)cc1 69798957 572579172 /nfs/dbraw/zinc/57/91/72/572579172.db2.gz BKHOUPAUZKKMED-NEPJUHHUSA-N 2 2 190.290 1.699 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2CCC2)C1 87584637 572579842 /nfs/dbraw/zinc/57/98/42/572579842.db2.gz MSXHWDNSZNULSP-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH2+]CC2CCC2)C1 87584637 572579844 /nfs/dbraw/zinc/57/98/44/572579844.db2.gz MSXHWDNSZNULSP-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1ccc([C@H]2[C@@H]([NH3+])CC[N@H+]2C)cc1 69798963 572579876 /nfs/dbraw/zinc/57/98/76/572579876.db2.gz BKHOUPAUZKKMED-RYUDHWBXSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccc([C@H]2[C@@H]([NH3+])CC[N@@H+]2C)cc1 69798963 572579879 /nfs/dbraw/zinc/57/98/79/572579879.db2.gz BKHOUPAUZKKMED-RYUDHWBXSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccc([C@@H]2[C@H]([NH3+])CC[N@H+]2C)cc1 69798954 572580254 /nfs/dbraw/zinc/58/02/54/572580254.db2.gz BKHOUPAUZKKMED-VXGBXAGGSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C)cc1 69798954 572580258 /nfs/dbraw/zinc/58/02/58/572580258.db2.gz BKHOUPAUZKKMED-VXGBXAGGSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@@H]1[C@@H]([NH3+])CC[N@H+]1C 69799036 572580305 /nfs/dbraw/zinc/58/03/05/572580305.db2.gz FSBPXGFAJBSVTH-NWDGAFQWSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C 69799036 572580309 /nfs/dbraw/zinc/58/03/09/572580309.db2.gz FSBPXGFAJBSVTH-NWDGAFQWSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@@H]1[C@H]([NH3+])CC[N@H+]1C 69799033 572580548 /nfs/dbraw/zinc/58/05/48/572580548.db2.gz FSBPXGFAJBSVTH-VXGBXAGGSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@@H]1[C@H]([NH3+])CC[N@@H+]1C 69799033 572580553 /nfs/dbraw/zinc/58/05/53/572580553.db2.gz FSBPXGFAJBSVTH-VXGBXAGGSA-N 2 2 190.290 1.699 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CCCC(C)(C)C1 69793448 572580566 /nfs/dbraw/zinc/58/05/66/572580566.db2.gz WBWHVTSYMRSHAG-SECBINFHSA-N 2 2 197.326 1.823 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@H+]1CCCC(C)(C)C1 69793448 572580570 /nfs/dbraw/zinc/58/05/70/572580570.db2.gz WBWHVTSYMRSHAG-SECBINFHSA-N 2 2 197.326 1.823 10 0 ADAELP Cc1ccccc1[C@H]1[C@H]([NH3+])CC[N@H+]1C 69799034 572580895 /nfs/dbraw/zinc/58/08/95/572580895.db2.gz FSBPXGFAJBSVTH-NEPJUHHUSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@H]1[C@H]([NH3+])CC[N@@H+]1C 69799034 572580899 /nfs/dbraw/zinc/58/08/99/572580899.db2.gz FSBPXGFAJBSVTH-NEPJUHHUSA-N 2 2 190.290 1.699 10 0 ADAELP c1[nH+]c(CC2CC2)[nH]c1C[NH2+]C1CC1 87583894 572581177 /nfs/dbraw/zinc/58/11/77/572581177.db2.gz QEUALGRXLAXZFU-UHFFFAOYSA-N 2 2 191.278 1.614 10 0 ADAELP CCC[NH2+]Cc1c[nH+]c(CC2CC2)[nH]1 87583890 572581402 /nfs/dbraw/zinc/58/14/02/572581402.db2.gz INGUQPARRQRCCI-UHFFFAOYSA-N 2 2 193.294 1.862 10 0 ADAELP Cc1ccc(C[C@H]([NH3+])C[NH+](C)C)o1 74300434 572582041 /nfs/dbraw/zinc/58/20/41/572582041.db2.gz NHFYUXHLNBAUQQ-VIFPVBQESA-N 2 2 182.267 1.019 10 0 ADAELP Cc1ccc(C[C@@H](C[NH3+])[NH+](C)C)o1 74300438 572582898 /nfs/dbraw/zinc/58/28/98/572582898.db2.gz JPLRCVOWVNEOGT-VIFPVBQESA-N 2 2 182.267 1.019 10 0 ADAELP Cc1ccc(C[C@@H]([NH3+])C[NH+](C)C)o1 74300436 572583467 /nfs/dbraw/zinc/58/34/67/572583467.db2.gz NHFYUXHLNBAUQQ-SECBINFHSA-N 2 2 182.267 1.019 10 0 ADAELP CC[N@H+](C)C[C@@H]([NH3+])Cc1ccco1 74300488 572585050 /nfs/dbraw/zinc/58/50/50/572585050.db2.gz PFUPRCLZUUWHTA-VIFPVBQESA-N 2 2 182.267 1.101 10 0 ADAELP CC[N@@H+](C)C[C@@H]([NH3+])Cc1ccco1 74300488 572585053 /nfs/dbraw/zinc/58/50/53/572585053.db2.gz PFUPRCLZUUWHTA-VIFPVBQESA-N 2 2 182.267 1.101 10 0 ADAELP C[C@H]([C@H]([NH3+])Cc1ccco1)[NH+](C)C 74300429 572585376 /nfs/dbraw/zinc/58/53/76/572585376.db2.gz CAIIEIIHFKUDCU-PSASIEDQSA-N 2 2 182.267 1.100 10 0 ADAELP C[C@@H]([C@H]([NH3+])Cc1ccco1)[NH+](C)C 74300428 572585688 /nfs/dbraw/zinc/58/56/88/572585688.db2.gz CAIIEIIHFKUDCU-WCBMZHEXSA-N 2 2 182.267 1.100 10 0 ADAELP C[C@@H]([C@@H]([NH3+])Cc1ccco1)[NH+](C)C 74300431 572585708 /nfs/dbraw/zinc/58/57/08/572585708.db2.gz CAIIEIIHFKUDCU-WPRPVWTQSA-N 2 2 182.267 1.100 10 0 ADAELP CC(C)[N@@H+]1CC[C@H](C)[NH2+]C[C@@H]1C 251554403 572585968 /nfs/dbraw/zinc/58/59/68/572585968.db2.gz CIJDAIDHXYOENL-UWVGGRQHSA-N 2 2 170.300 1.467 10 0 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/nfs/dbraw/zinc/58/93/86/572589386.db2.gz CIJDAIDHXYOENL-ZJUUUORDSA-N 2 2 170.300 1.467 10 0 ADAELP C[NH2+][C@@H](C[NH+]1CC=CC1)C(C)C 238353175 572591868 /nfs/dbraw/zinc/59/18/68/572591868.db2.gz NLGQHNGUNBSHEH-JTQLQIEISA-N 2 2 168.284 1.102 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccccc1SC 238353014 572594040 /nfs/dbraw/zinc/59/40/40/572594040.db2.gz BUCXALVSXBVRTR-VIFPVBQESA-N 2 2 196.319 1.628 10 0 ADAELP C[NH2+][C@@H](CCCCF)C[NH+](C)C 308070647 572594865 /nfs/dbraw/zinc/59/48/65/572594865.db2.gz BEODXDSGUWFMHZ-VIFPVBQESA-N 2 2 176.279 1.276 10 0 ADAELP CC[C@@H]1C[C@@H]([NH3+])C[N@@H+]([C@H](C)CC)C1 251615784 572595702 /nfs/dbraw/zinc/59/57/02/572595702.db2.gz LGYJSSYBQFMLBN-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1C[C@@H]([NH3+])C[N@H+]([C@H](C)CC)C1 251615784 572595703 /nfs/dbraw/zinc/59/57/03/572595703.db2.gz LGYJSSYBQFMLBN-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1C[C@H]([NH3+])C[N@@H+]([C@H](C)CC)C1 251615788 572595724 /nfs/dbraw/zinc/59/57/24/572595724.db2.gz LGYJSSYBQFMLBN-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1C[C@H]([NH3+])C[N@H+]([C@H](C)CC)C1 251615788 572595726 /nfs/dbraw/zinc/59/57/26/572595726.db2.gz LGYJSSYBQFMLBN-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH2+]CC[N@H+](C)CCCC(F)F 688709302 572595877 /nfs/dbraw/zinc/59/58/77/572595877.db2.gz JUZDUEFRVOECPK-UHFFFAOYSA-N 2 2 194.269 1.573 10 0 ADAELP CC[NH2+]CC[N@@H+](C)CCCC(F)F 688709302 572595878 /nfs/dbraw/zinc/59/58/78/572595878.db2.gz JUZDUEFRVOECPK-UHFFFAOYSA-N 2 2 194.269 1.573 10 0 ADAELP CC[NH2+][C@H](C)[C@@H](F)C(C)(C)[NH2+]C 308070070 572596254 /nfs/dbraw/zinc/59/62/54/572596254.db2.gz AZJMIIIVQPFAGD-HTQZYQBOSA-N 2 2 176.279 1.321 10 0 ADAELP CC[NH2+][C@H](C)[C@H](F)C(C)(C)[NH2+]C 308070092 572597931 /nfs/dbraw/zinc/59/79/31/572597931.db2.gz AZJMIIIVQPFAGD-SFYZADRCSA-N 2 2 176.279 1.321 10 0 ADAELP CC(C)C[C@H](C[NH3+])c1[nH]cc[nH+]1 87602244 572597936 /nfs/dbraw/zinc/59/79/36/572597936.db2.gz LQQTZINMKQNWLN-MRVPVSSYSA-N 2 2 167.256 1.498 10 0 ADAELP 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HVRLWWQLCWPEHA-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@H+]1CC[C@@H](C)[NH2+][C@H](C)C1 251624154 572601262 /nfs/dbraw/zinc/60/12/62/572601262.db2.gz HVRLWWQLCWPEHA-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@@H+]1CC[C@H](C)[NH2+][C@H](C)C1 251624157 572601640 /nfs/dbraw/zinc/60/16/40/572601640.db2.gz HVRLWWQLCWPEHA-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@H+]1CC[C@H](C)[NH2+][C@H](C)C1 251624157 572601643 /nfs/dbraw/zinc/60/16/43/572601643.db2.gz HVRLWWQLCWPEHA-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])C[C@@H](c2ccco2)C1 74303303 572602649 /nfs/dbraw/zinc/60/26/49/572602649.db2.gz NJPITFZGUYOCFM-BDAKNGLRSA-N 2 2 180.251 1.026 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccoc1 74303319 572603311 /nfs/dbraw/zinc/60/33/11/572603311.db2.gz AZPWCHIDSIUGMF-VHSXEESVSA-N 2 2 180.251 1.374 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccoc1 74303319 572603316 /nfs/dbraw/zinc/60/33/16/572603316.db2.gz AZPWCHIDSIUGMF-VHSXEESVSA-N 2 2 180.251 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74304443 572605465 /nfs/dbraw/zinc/60/54/65/572605465.db2.gz DSMUKINLOJVPFN-HTQZYQBOSA-N 2 2 179.267 1.567 10 0 ADAELP CCc1[nH]cc([C@@H]2CCC[C@H]2[NH3+])[nH+]1 74304443 572605469 /nfs/dbraw/zinc/60/54/69/572605469.db2.gz DSMUKINLOJVPFN-HTQZYQBOSA-N 2 2 179.267 1.567 10 0 ADAELP CC(C)[C@H]([NH3+])c1c[nH+]c(C2CC2)[nH]1 74304453 572605741 /nfs/dbraw/zinc/60/57/41/572605741.db2.gz OADPSSPMZLSXSZ-VIFPVBQESA-N 2 2 179.267 1.943 10 0 ADAELP CCC[C@@H]([NH3+])c1c[nH+]c2n1CCC2 74304619 572605780 /nfs/dbraw/zinc/60/57/80/572605780.db2.gz HBSZURSFTILYKL-MRVPVSSYSA-N 2 2 179.267 1.629 10 0 ADAELP CCc1[nH]c([C@H]2CCC[C@@H]2[NH3+])c[nH+]1 74304441 572605850 /nfs/dbraw/zinc/60/58/50/572605850.db2.gz DSMUKINLOJVPFN-YUMQZZPRSA-N 2 2 179.267 1.567 10 0 ADAELP CCc1[nH]cc([C@H]2CCC[C@@H]2[NH3+])[nH+]1 74304441 572605852 /nfs/dbraw/zinc/60/58/52/572605852.db2.gz DSMUKINLOJVPFN-YUMQZZPRSA-N 2 2 179.267 1.567 10 0 ADAELP CCc1cn([C@H]2CC[C@@H]([NH3+])C2)c[nH+]1 74304606 572605878 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/nfs/dbraw/zinc/61/68/15/572616815.db2.gz JIFGBQVVIXESSC-WDEREUQCSA-N 2 2 196.338 1.846 10 0 ADAELP Cc1[nH]c(C)c(C[C@@H]([NH3+])C(C)C)[nH+]1 74301450 572617012 /nfs/dbraw/zinc/61/70/12/572617012.db2.gz KHVVSSFFSKNIHX-SECBINFHSA-N 2 2 181.283 1.552 10 0 ADAELP CCC[C@@H]([NH3+])Cc1cn(C)c(C)[nH+]1 74301442 572617083 /nfs/dbraw/zinc/61/70/83/572617083.db2.gz SGAJQDYOFQYHHA-SECBINFHSA-N 2 2 181.283 1.398 10 0 ADAELP Cc1[nH+]c(C)n2cc(C[NH3+])sc12 74301616 572617173 /nfs/dbraw/zinc/61/71/73/572617173.db2.gz HZERMLWKKSPLBG-UHFFFAOYSA-N 2 2 181.264 1.471 10 0 ADAELP Cc1c(O)cccc1[C@@H](C)[NH2+]CC[NH3+] 115306932 572617314 /nfs/dbraw/zinc/61/73/14/572617314.db2.gz NBKFJTOCBHZALF-SECBINFHSA-N 2 2 194.278 1.310 10 0 ADAELP CCc1[nH+]cc2sc(C[NH3+])cn12 74301618 572617798 /nfs/dbraw/zinc/61/77/98/572617798.db2.gz FLGQFELAFFEIQQ-UHFFFAOYSA-N 2 2 181.264 1.417 10 0 ADAELP CC[C@@H](C)[C@@H]([NH3+])Cc1c[nH+]c(C)[nH]1 74301430 572618062 /nfs/dbraw/zinc/61/80/62/572618062.db2.gz BXRZRRLRUPPFPL-XCBNKYQSSA-N 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CC[C@H](C)[C@H]([NH3+])[C@@H](O)c1c[nH+]c(C)[nH]1 251754085 572621473 /nfs/dbraw/zinc/62/14/73/572621473.db2.gz HDGYCNJRCNNERS-JUWDTYFHSA-N 2 2 197.282 1.125 10 0 ADAELP C[C@H]1C[NH2+][C@H](C)CC[N@H+]1C(C)(C)C 251751836 572621705 /nfs/dbraw/zinc/62/17/05/572621705.db2.gz SIYZJOSFKWIPKF-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1C[NH2+][C@H](C)CC[N@@H+]1C(C)(C)C 251751836 572621708 /nfs/dbraw/zinc/62/17/08/572621708.db2.gz SIYZJOSFKWIPKF-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[N@@H+]1Cc2oc(C3CC3)c(C[NH3+])c2C1 214698652 572622072 /nfs/dbraw/zinc/62/20/72/572622072.db2.gz VMVWIUQFXRCKOA-UHFFFAOYSA-N 2 2 192.262 1.561 10 0 ADAELP C[N@H+]1Cc2oc(C3CC3)c(C[NH3+])c2C1 214698652 572622078 /nfs/dbraw/zinc/62/20/78/572622078.db2.gz VMVWIUQFXRCKOA-UHFFFAOYSA-N 2 2 192.262 1.561 10 0 ADAELP C[C@H]1CC[N@@H+](C(C)(C)C)[C@@H](C)C[NH2+]1 251751835 572622521 /nfs/dbraw/zinc/62/25/21/572622521.db2.gz SIYZJOSFKWIPKF-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1CC[N@H+](C(C)(C)C)[C@@H](C)C[NH2+]1 251751835 572622524 /nfs/dbraw/zinc/62/25/24/572622524.db2.gz SIYZJOSFKWIPKF-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+](C2CC(C(C)C)C2)C1 234508629 572624179 /nfs/dbraw/zinc/62/41/79/572624179.db2.gz JJSFZHRNDITPAM-CXQJBGSLSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@H]1CC[N@H+](C2CC(C(C)C)C2)C1 234508629 572624183 /nfs/dbraw/zinc/62/41/83/572624183.db2.gz JJSFZHRNDITPAM-CXQJBGSLSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)CC[C@H]1C[N@H+](C)C[C@@H]1[NH3+] 74310725 572625551 /nfs/dbraw/zinc/62/55/51/572625551.db2.gz OPXRLPCBVUJNFA-UWVGGRQHSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)CC[C@H]1C[N@@H+](C)C[C@@H]1[NH3+] 74310725 572625555 /nfs/dbraw/zinc/62/55/55/572625555.db2.gz OPXRLPCBVUJNFA-UWVGGRQHSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)CC[C@@H]1C[N@H+](C)C[C@@H]1[NH3+] 74310724 572625737 /nfs/dbraw/zinc/62/57/37/572625737.db2.gz OPXRLPCBVUJNFA-ZJUUUORDSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)CC[C@@H]1C[N@@H+](C)C[C@@H]1[NH3+] 74310724 572625739 /nfs/dbraw/zinc/62/57/39/572625739.db2.gz OPXRLPCBVUJNFA-ZJUUUORDSA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)C[N@H+]1CC[C@@H](C)[NH2+]C[C@@H]1C 251743666 572627862 /nfs/dbraw/zinc/62/78/62/572627862.db2.gz RPCHUEIYEDBERM-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H]1C 251743666 572627857 /nfs/dbraw/zinc/62/78/57/572627857.db2.gz RPCHUEIYEDBERM-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@H+]1CC[C@H](C)[NH2+]C[C@@H]1C 251743671 572628200 /nfs/dbraw/zinc/62/82/00/572628200.db2.gz RPCHUEIYEDBERM-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@@H+]1CC[C@H](C)[NH2+]C[C@@H]1C 251743671 572628197 /nfs/dbraw/zinc/62/81/97/572628197.db2.gz RPCHUEIYEDBERM-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP Cc1cc(C)cc([C@H]([NH3+])C[NH3+])c1 49808722 572631520 /nfs/dbraw/zinc/63/15/20/572631520.db2.gz DLXZDIFFBWQUEW-SNVBAGLBSA-N 2 2 164.252 1.262 10 0 ADAELP Cc1c[nH+]ccc1C[C@@H]([NH3+])C(C)C 70047938 572629866 /nfs/dbraw/zinc/62/98/66/572629866.db2.gz JSSSMOFYTHQBLO-LLVKDONJSA-N 2 2 178.279 1.916 10 0 ADAELP Cc1nc2[nH]c(C[NH3+])c(C)c2c[nH+]1 74307904 572630323 /nfs/dbraw/zinc/63/03/23/572630323.db2.gz VXJYICIKOFTMPV-UHFFFAOYSA-N 2 2 176.223 1.033 10 0 ADAELP Cc1cc(C)cc([C@@H]([NH3+])C[NH3+])c1 49808723 572630458 /nfs/dbraw/zinc/63/04/58/572630458.db2.gz DLXZDIFFBWQUEW-JTQLQIEISA-N 2 2 164.252 1.262 10 0 ADAELP Cc1cn2cc([C@H](C)[NH3+])ccc2[nH+]1 74308544 572630552 /nfs/dbraw/zinc/63/05/52/572630552.db2.gz AWKIIVVBQVRFKT-QMMMGPOBSA-N 2 2 175.235 1.662 10 0 ADAELP Cc1cn2cc([C@@H](C)[NH3+])ccc2[nH+]1 74308541 572631439 /nfs/dbraw/zinc/63/14/39/572631439.db2.gz AWKIIVVBQVRFKT-MRVPVSSYSA-N 2 2 175.235 1.662 10 0 ADAELP Cc1[nH]c(-c2[nH]cc[nH+]2)cc1C[NH3+] 74308010 572631511 /nfs/dbraw/zinc/63/15/11/572631511.db2.gz HSBKDJQYMBHMOO-UHFFFAOYSA-N 2 2 176.223 1.172 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+](CC1CC1)CC1CC1 70064198 572631852 /nfs/dbraw/zinc/63/18/52/572631852.db2.gz SYQYAQHENGKJTQ-NXEZZACHSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]([NH3+])c1[nH+]ccc2c1ccn2C 74308537 572632190 /nfs/dbraw/zinc/63/21/90/572632190.db2.gz NKNALEIDQYLNJO-SSDOTTSWSA-N 2 2 175.235 1.593 10 0 ADAELP Cc1c[nH+]ccc1C[C@H]([NH3+])C(C)C 70047937 572632555 /nfs/dbraw/zinc/63/25/55/572632555.db2.gz JSSSMOFYTHQBLO-NSHDSACASA-N 2 2 178.279 1.916 10 0 ADAELP C[C@H]([NH3+])c1[nH+]ccc2c1ccn2C 74308535 572632773 /nfs/dbraw/zinc/63/27/73/572632773.db2.gz NKNALEIDQYLNJO-ZETCQYMHSA-N 2 2 175.235 1.593 10 0 ADAELP Cc1cc[nH+]c(N)c1-n1cc[nH+]c1 74309197 572636101 /nfs/dbraw/zinc/63/61/01/572636101.db2.gz COBZYCNSULTSJT-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP CC(C)c1ccc(N)c([C@H]([NH3+])C[NH3+])c1 72200383 572636759 /nfs/dbraw/zinc/63/67/59/572636759.db2.gz GLNQVLFZRMIVDL-LLVKDONJSA-N 2 2 193.294 1.351 10 0 ADAELP Nc1ccc(SC/C=C/C[NH3+])c[nH+]1 85054454 572636777 /nfs/dbraw/zinc/63/67/77/572636777.db2.gz DMOZIJJGZIUVPU-OWOJBTEDSA-N 2 2 195.291 1.271 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])cc(C)c1Cl 72200542 572636997 /nfs/dbraw/zinc/63/69/97/572636997.db2.gz WOZNNYNQFZIUEF-VIFPVBQESA-N 2 2 198.697 1.915 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])c(Cl)cc1N 72200556 572637286 /nfs/dbraw/zinc/63/72/86/572637286.db2.gz HXKVJBUTVFUPQH-VIFPVBQESA-N 2 2 199.685 1.189 10 0 ADAELP Cc1ccc(Cl)cc1[C@H]([NH3+])C[NH3+] 72200245 572637441 /nfs/dbraw/zinc/63/74/41/572637441.db2.gz OTXSPGYKRQDYFA-SECBINFHSA-N 2 2 184.670 1.607 10 0 ADAELP C[C@@H]1CC[N@@H+](C(C)(C)C)C[C@@H](C)[NH2+]1 251806126 572638257 /nfs/dbraw/zinc/63/82/57/572638257.db2.gz YJJYMGMDGZLZPS-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP Cc1c(Cl)cccc1[C@H]([NH3+])C[NH3+] 72200247 572637648 /nfs/dbraw/zinc/63/76/48/572637648.db2.gz UCPXVPQCXMBAPT-SECBINFHSA-N 2 2 184.670 1.607 10 0 ADAELP CC(C)c1ccc(N)c([C@@H]([NH3+])C[NH3+])c1 72200384 572637688 /nfs/dbraw/zinc/63/76/88/572637688.db2.gz GLNQVLFZRMIVDL-NSHDSACASA-N 2 2 193.294 1.351 10 0 ADAELP Cc1c(Cl)cccc1[C@@H]([NH3+])C[NH3+] 72200248 572637708 /nfs/dbraw/zinc/63/77/08/572637708.db2.gz UCPXVPQCXMBAPT-VIFPVBQESA-N 2 2 184.670 1.607 10 0 ADAELP C[C@H]1CC[N@@H+](C(C)(C)C)C[C@@H](C)[NH2+]1 251806130 572637949 /nfs/dbraw/zinc/63/79/49/572637949.db2.gz YJJYMGMDGZLZPS-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1CC[N@H+](C(C)(C)C)C[C@@H](C)[NH2+]1 251806130 572637952 /nfs/dbraw/zinc/63/79/52/572637952.db2.gz YJJYMGMDGZLZPS-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])cc(C)c1Cl 72200541 572638019 /nfs/dbraw/zinc/63/80/19/572638019.db2.gz WOZNNYNQFZIUEF-SECBINFHSA-N 2 2 198.697 1.915 10 0 ADAELP C[C@@H]1CC[N@H+](C(C)(C)C)C[C@@H](C)[NH2+]1 251806126 572638260 /nfs/dbraw/zinc/63/82/60/572638260.db2.gz YJJYMGMDGZLZPS-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])c(Cl)cc1N 72200555 572638400 /nfs/dbraw/zinc/63/84/00/572638400.db2.gz HXKVJBUTVFUPQH-SECBINFHSA-N 2 2 199.685 1.189 10 0 ADAELP Cc1ccc(Cl)cc1[C@@H]([NH3+])C[NH3+] 72200246 572638460 /nfs/dbraw/zinc/63/84/60/572638460.db2.gz OTXSPGYKRQDYFA-VIFPVBQESA-N 2 2 184.670 1.607 10 0 ADAELP Cc1c(N)ccc([C@H]([NH3+])C[NH3+])c1Cl 72200553 572638517 /nfs/dbraw/zinc/63/85/17/572638517.db2.gz SICLGQYBHUCQIM-MRVPVSSYSA-N 2 2 199.685 1.189 10 0 ADAELP C[C@H]([NH3+])c1cnc(C[NH+](C)C)s1 54159248 572638527 /nfs/dbraw/zinc/63/85/27/572638527.db2.gz YLUAJYDJOIHKEJ-LURJTMIESA-N 2 2 185.296 1.224 10 0 ADAELP C/C=C\CC[N@H+]1CC[C@@H]([NH2+]CC)C1 308083907 572638700 /nfs/dbraw/zinc/63/87/00/572638700.db2.gz CIEIRFTTXGLJOY-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\CC[N@@H+]1CC[C@@H]([NH2+]CC)C1 308083907 572638704 /nfs/dbraw/zinc/63/87/04/572638704.db2.gz CIEIRFTTXGLJOY-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP C[C@@H](CC1CC1)[N@@H+]1CCC[NH2+]CC1 70104334 572638971 /nfs/dbraw/zinc/63/89/71/572638971.db2.gz IVYDJZHQODOFGB-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](CC1CC1)[N@H+]1CCC[NH2+]CC1 70104334 572638976 /nfs/dbraw/zinc/63/89/76/572638976.db2.gz IVYDJZHQODOFGB-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](CC1CC1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 70104368 572639089 /nfs/dbraw/zinc/63/90/89/572639089.db2.gz DDMWDMIZZQAGHB-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H](CC1CC1)[N@H+]1CC[NH2+]C[C@@H](C)C1 70104368 572639095 /nfs/dbraw/zinc/63/90/95/572639095.db2.gz DDMWDMIZZQAGHB-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H](C1CC1)[N@H+](C)[C@@H]1CCCC[NH2+]C1 54135081 572639166 /nfs/dbraw/zinc/63/91/66/572639166.db2.gz LDJLYIIISGKRMT-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54135081 572639173 /nfs/dbraw/zinc/63/91/73/572639173.db2.gz LDJLYIIISGKRMT-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1cc(Cl)cc([C@H]([NH3+])C[NH3+])c1N 72200557 572639278 /nfs/dbraw/zinc/63/92/78/572639278.db2.gz OTQVQVLLBUCJOX-MRVPVSSYSA-N 2 2 199.685 1.189 10 0 ADAELP C[N@H+](C/C=C/C[NH3+])Cc1cscn1 85054957 572640962 /nfs/dbraw/zinc/64/09/62/572640962.db2.gz QWMRTSVZVDCIQG-NSCUHMNNSA-N 2 2 197.307 1.090 10 0 ADAELP C[N@@H+](C/C=C/C[NH3+])Cc1cscn1 85054957 572640965 /nfs/dbraw/zinc/64/09/65/572640965.db2.gz QWMRTSVZVDCIQG-NSCUHMNNSA-N 2 2 197.307 1.090 10 0 ADAELP CC(C)C[N@H+](C)[C@@H]1CCCC[NH2+]C1 54135010 572639756 /nfs/dbraw/zinc/63/97/56/572639756.db2.gz BBYLGYYDCJSSHC-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54135010 572639758 /nfs/dbraw/zinc/63/97/58/572639758.db2.gz BBYLGYYDCJSSHC-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C/C=C\CC[N@H+]1CC[C@H]([NH2+]CC)C1 308083906 572640052 /nfs/dbraw/zinc/64/00/52/572640052.db2.gz CIEIRFTTXGLJOY-MZBZXASESA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\CC[N@@H+]1CC[C@H]([NH2+]CC)C1 308083906 572640054 /nfs/dbraw/zinc/64/00/54/572640054.db2.gz CIEIRFTTXGLJOY-MZBZXASESA-N 2 2 182.311 1.636 10 0 ADAELP C[N@H+](CCC(F)(F)F)C1CC([NH3+])C1 87653605 572640225 /nfs/dbraw/zinc/64/02/25/572640225.db2.gz SMTPBKLSJBCYIT-UHFFFAOYSA-N 2 2 196.216 1.360 10 0 ADAELP C[N@@H+](CCC(F)(F)F)C1CC([NH3+])C1 87653605 572640227 /nfs/dbraw/zinc/64/02/27/572640227.db2.gz SMTPBKLSJBCYIT-UHFFFAOYSA-N 2 2 196.216 1.360 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@@H](C)CC2CC2)C1 70104369 572640372 /nfs/dbraw/zinc/64/03/72/572640372.db2.gz DDMWDMIZZQAGHB-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@@H](C)CC2CC2)C1 70104369 572640376 /nfs/dbraw/zinc/64/03/76/572640376.db2.gz DDMWDMIZZQAGHB-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C[N@H+](C)[C@H]1CCCC[NH2+]C1 54135012 572640571 /nfs/dbraw/zinc/64/05/71/572640571.db2.gz BBYLGYYDCJSSHC-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@@H+](C)[C@H]1CCCC[NH2+]C1 54135012 572640576 /nfs/dbraw/zinc/64/05/76/572640576.db2.gz BBYLGYYDCJSSHC-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[C@H]([NH3+])C[NH+]1CC=CC1 308083289 572640795 /nfs/dbraw/zinc/64/07/95/572640795.db2.gz LCLYDFIDDGPFRT-JTQLQIEISA-N 2 2 168.284 1.232 10 0 ADAELP CC(C)[NH2+]C[C@@H](C)[NH+]1CC=CC1 308082032 572642268 /nfs/dbraw/zinc/64/22/68/572642268.db2.gz KBPJEIDNWUXHEN-SNVBAGLBSA-N 2 2 168.284 1.245 10 0 ADAELP 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251800307 572649076 /nfs/dbraw/zinc/64/90/76/572649076.db2.gz KMMQBFHDSZFWER-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[C@](C)([NH2+]C)C1 251800307 572649080 /nfs/dbraw/zinc/64/90/80/572649080.db2.gz KMMQBFHDSZFWER-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH+](C)CC[NH2+]C[C@H]1CCCS1 87669302 572649999 /nfs/dbraw/zinc/64/99/99/572649999.db2.gz SYRLOYXVYFRRJW-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CC[C@H]1C[N@@H+]([C@H](C)C[NH3+])CCC12CC2 251840528 572651170 /nfs/dbraw/zinc/65/11/70/572651170.db2.gz QSYGZUCADKQJKG-MNOVXSKESA-N 2 2 196.338 1.846 10 0 ADAELP CC[C@H]1C[N@H+]([C@H](C)C[NH3+])CCC12CC2 251840528 572651174 /nfs/dbraw/zinc/65/11/74/572651174.db2.gz QSYGZUCADKQJKG-MNOVXSKESA-N 2 2 196.338 1.846 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[C@](C)([NH3+])C1 251844989 572652077 /nfs/dbraw/zinc/65/20/77/572652077.db2.gz MAJGTVPSBXZKCG-UWVGGRQHSA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])C1 251844989 572652082 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HTBJGXZFPFLMPD-DTWKUNHWSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@H](C)[C@@H]1CC[N@H+](C)C[C@H]1[NH3+] 251863152 572655042 /nfs/dbraw/zinc/65/50/42/572655042.db2.gz ORWWPMWDBHLCCU-LPEHRKFASA-N 2 2 170.300 1.312 10 0 ADAELP CC[C@H](C)[C@@H]1CC[N@@H+](C)C[C@H]1[NH3+] 251863152 572655046 /nfs/dbraw/zinc/65/50/46/572655046.db2.gz ORWWPMWDBHLCCU-LPEHRKFASA-N 2 2 170.300 1.312 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 235283398 572656037 /nfs/dbraw/zinc/65/60/37/572656037.db2.gz MAIVLFJUGBGYPH-GHMZBOCLSA-N 2 2 182.311 1.635 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 235283398 572656041 /nfs/dbraw/zinc/65/60/41/572656041.db2.gz MAIVLFJUGBGYPH-GHMZBOCLSA-N 2 2 182.311 1.635 10 0 ADAELP CC[N@@H+]1[C@H](C)CC[NH2+]C[C@H]1C 250243694 572656301 /nfs/dbraw/zinc/65/63/01/572656301.db2.gz HTBJGXZFPFLMPD-RKDXNWHRSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@H+]1[C@H](C)CC[NH2+]C[C@H]1C 250243694 572656304 /nfs/dbraw/zinc/65/63/04/572656304.db2.gz HTBJGXZFPFLMPD-RKDXNWHRSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@H](C)[C@H]1CC[N@@H+](C)C[C@H]1[NH3+] 251863151 572656601 /nfs/dbraw/zinc/65/66/01/572656601.db2.gz ORWWPMWDBHLCCU-IVZWLZJFSA-N 2 2 170.300 1.312 10 0 ADAELP CC[C@H](C)[C@H]1CC[N@H+](C)C[C@H]1[NH3+] 251863151 572656597 /nfs/dbraw/zinc/65/65/97/572656597.db2.gz ORWWPMWDBHLCCU-IVZWLZJFSA-N 2 2 170.300 1.312 10 0 ADAELP CCC[C@@H]([NH3+])[C@@H](C)c1c[nH+]c[nH]1 74335205 572659542 /nfs/dbraw/zinc/65/95/42/572659542.db2.gz IWUOXJMHUYNIBU-HTQZYQBOSA-N 2 2 167.256 1.641 10 0 ADAELP CCC[C@@H]([NH3+])[C@@H](C)c1c[nH]c[nH+]1 74335205 572659546 /nfs/dbraw/zinc/65/95/46/572659546.db2.gz IWUOXJMHUYNIBU-HTQZYQBOSA-N 2 2 167.256 1.641 10 0 ADAELP Cc1[nH]c([C@@H]([NH3+])C(C)C)c(C)[nH+]1 74335240 572659352 /nfs/dbraw/zinc/65/93/52/572659352.db2.gz DQSIKNRLJROLLV-QMMMGPOBSA-N 2 2 167.256 1.682 10 0 ADAELP CC[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H]([NH2+]C)C1 251956323 572659910 /nfs/dbraw/zinc/65/99/10/572659910.db2.gz VDCYRRLKDXJECJ-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H]([NH2+]C)C1 251956323 572659924 /nfs/dbraw/zinc/65/99/24/572659924.db2.gz VDCYRRLKDXJECJ-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[C@@H]([NH3+])c1[nH]c(C)[nH+]c1C 74335521 572660108 /nfs/dbraw/zinc/66/01/08/572660108.db2.gz MCESISCVVSRQGN-MRVPVSSYSA-N 2 2 167.256 1.826 10 0 ADAELP C[C@@H]([NH3+])c1cccnc1-n1cc[nH+]c1 235187690 572660118 /nfs/dbraw/zinc/66/01/18/572660118.db2.gz DTTPPFWGBLDECS-MRVPVSSYSA-N 2 2 188.234 1.287 10 0 ADAELP CCC[C@H]([NH3+])Cc1cn(C)c[nH+]1 74335328 572660142 /nfs/dbraw/zinc/66/01/42/572660142.db2.gz RNDHMLVIIZXNEO-QMMMGPOBSA-N 2 2 167.256 1.090 10 0 ADAELP CC[C@@H](C)[C@H]([NH3+])Cc1c[nH+]c[nH]1 74335280 572660285 /nfs/dbraw/zinc/66/02/85/572660285.db2.gz IWBNWYVLBBKEPG-VXNVDRBHSA-N 2 2 167.256 1.326 10 0 ADAELP CC[C@@H](C)[C@H]([NH3+])Cc1c[nH]c[nH+]1 74335280 572660287 /nfs/dbraw/zinc/66/02/87/572660287.db2.gz IWBNWYVLBBKEPG-VXNVDRBHSA-N 2 2 167.256 1.326 10 0 ADAELP CC[C@H](C)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 74335294 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MZGHSSBLIGXHDH-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@H]([NH3+])c1[nH]c[nH+]c1C 74343066 572671906 /nfs/dbraw/zinc/67/19/06/572671906.db2.gz LCPKWMDVTFEQIU-ZETCQYMHSA-N 2 2 153.229 1.518 10 0 ADAELP CCC[N@H+](C)CC[NH2+]C1CCC1 688687499 572672611 /nfs/dbraw/zinc/67/26/11/572672611.db2.gz UUECOWYRLNEJLZ-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@@H+](C)CC[NH2+]C1CCC1 688687499 572672617 /nfs/dbraw/zinc/67/26/17/572672617.db2.gz UUECOWYRLNEJLZ-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP FCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893825 572673601 /nfs/dbraw/zinc/67/36/01/572673601.db2.gz PHKCYPXYFMXSCQ-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@H](CC[NH3+])CNc1cccc[nH+]1 85130849 572673475 /nfs/dbraw/zinc/67/34/75/572673475.db2.gz HBYYDXIRJNYKJC-SECBINFHSA-N 2 2 179.267 1.478 10 0 ADAELP CC(C)=CC[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893829 572673840 /nfs/dbraw/zinc/67/38/40/572673840.db2.gz PIWCWWIOULCIBH-RYUDHWBXSA-N 2 2 194.322 1.636 10 0 ADAELP CC(C)=CC[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893829 572673842 /nfs/dbraw/zinc/67/38/42/572673842.db2.gz PIWCWWIOULCIBH-RYUDHWBXSA-N 2 2 194.322 1.636 10 0 ADAELP CC(C)=CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893828 572673535 /nfs/dbraw/zinc/67/35/35/572673535.db2.gz PIWCWWIOULCIBH-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP CC(C)=CC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893828 572673540 /nfs/dbraw/zinc/67/35/40/572673540.db2.gz PIWCWWIOULCIBH-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP FCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893825 572673596 /nfs/dbraw/zinc/67/35/96/572673596.db2.gz PHKCYPXYFMXSCQ-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP Cc1cn(C2CC[NH+](C)CC2)c(C)[nH+]1 209439980 572673637 /nfs/dbraw/zinc/67/36/37/572673637.db2.gz BGXMTHNFJLAGFX-UHFFFAOYSA-N 2 2 193.294 1.767 10 0 ADAELP CCC[C@H]([NH3+])c1c[nH+]c(C)[nH]1 74343032 572673675 /nfs/dbraw/zinc/67/36/75/572673675.db2.gz KTZIRGMBTCDGKT-ZETCQYMHSA-N 2 2 153.229 1.518 10 0 ADAELP Cc1cc(NC[C@@H](C)CC[NH3+])nc[nH+]1 85130933 572673804 /nfs/dbraw/zinc/67/38/04/572673804.db2.gz UKOPZSGJTLENNX-QMMMGPOBSA-N 2 2 194.282 1.182 10 0 ADAELP CCC[C@@H]([NH3+])c1[nH]c[nH+]c1C 74343067 572674625 /nfs/dbraw/zinc/67/46/25/572674625.db2.gz LCPKWMDVTFEQIU-SSDOTTSWSA-N 2 2 153.229 1.518 10 0 ADAELP Cc1[nH]c([C@@H]([NH3+])C(C)C)c[nH+]1 74343025 572675024 /nfs/dbraw/zinc/67/50/24/572675024.db2.gz HTXDETYJIQBXHI-QMMMGPOBSA-N 2 2 153.229 1.374 10 0 ADAELP CCCC[C@H]([NH3+])C[NH+]1CC=CC1 308091791 572675469 /nfs/dbraw/zinc/67/54/69/572675469.db2.gz UEUCMSUANJECNH-JTQLQIEISA-N 2 2 168.284 1.376 10 0 ADAELP Cc1nc(NC[C@H](C)CC[NH3+])cc[nH+]1 85131102 572676181 /nfs/dbraw/zinc/67/61/81/572676181.db2.gz VHABGRHFVFPBAE-MRVPVSSYSA-N 2 2 194.282 1.182 10 0 ADAELP Cc1cc(NC[C@H](C)CC[NH3+])nc[nH+]1 85130935 572676993 /nfs/dbraw/zinc/67/69/93/572676993.db2.gz UKOPZSGJTLENNX-MRVPVSSYSA-N 2 2 194.282 1.182 10 0 ADAELP C[C@@H](CC[NH3+])CNc1cccc[nH+]1 85130847 572677052 /nfs/dbraw/zinc/67/70/52/572677052.db2.gz HBYYDXIRJNYKJC-VIFPVBQESA-N 2 2 179.267 1.478 10 0 ADAELP Cc1nc(NC[C@@H](C)CC[NH3+])cc[nH+]1 85131100 572677132 /nfs/dbraw/zinc/67/71/32/572677132.db2.gz VHABGRHFVFPBAE-QMMMGPOBSA-N 2 2 194.282 1.182 10 0 ADAELP C[N@@H+]1[C@H]2CC[C@@H]1CC([NH3+])(C(F)F)C2 87688029 572677254 /nfs/dbraw/zinc/67/72/54/572677254.db2.gz OLDXJTHFKZGWPG-AVSFMBPQSA-N 2 2 190.237 1.206 10 0 ADAELP C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])(C(F)F)C2 87688029 572677257 /nfs/dbraw/zinc/67/72/57/572677257.db2.gz OLDXJTHFKZGWPG-AVSFMBPQSA-N 2 2 190.237 1.206 10 0 ADAELP C[NH2+]CC[NH+]1CCC(C(F)F)CC1 307870641 572681143 /nfs/dbraw/zinc/68/11/43/572681143.db2.gz QZEXUXCUJZAHOA-UHFFFAOYSA-N 2 2 192.253 1.183 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C 253483700 572684800 /nfs/dbraw/zinc/68/48/00/572684800.db2.gz ALDDEDUKBNVGNM-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C 253483700 572684802 /nfs/dbraw/zinc/68/48/02/572684802.db2.gz ALDDEDUKBNVGNM-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP CCC[N@H+](C)CC[NH2+]CC1CCC1 688687876 572685292 /nfs/dbraw/zinc/68/52/92/572685292.db2.gz YSOJAYGHUYCKDW-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[N@@H+](C)CC[NH2+]CC1CCC1 688687876 572685296 /nfs/dbraw/zinc/68/52/96/572685296.db2.gz YSOJAYGHUYCKDW-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP C=C/C=C/CC[NH2+][C@H](C)C(=[NH2+])NO 713464498 572686041 /nfs/dbraw/zinc/68/60/41/572686041.db2.gz KDIYZJADAIWSJG-WTSVBCDHSA-N 2 2 183.255 1.053 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C 253483699 572686099 /nfs/dbraw/zinc/68/60/99/572686099.db2.gz ALDDEDUKBNVGNM-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C 253483699 572686104 /nfs/dbraw/zinc/68/61/04/572686104.db2.gz ALDDEDUKBNVGNM-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C=C/C=C\CC[NH2+][C@H](C)C(=[NH2+])NO 713464494 572686858 /nfs/dbraw/zinc/68/68/58/572686858.db2.gz KDIYZJADAIWSJG-PULIVWKDSA-N 2 2 183.255 1.053 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])c1ccoc1 252960115 572688598 /nfs/dbraw/zinc/68/85/98/572688598.db2.gz MVVHEQXDJYTXDX-FBIMIBRVSA-N 2 2 194.278 1.525 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])c1ccco1 252971966 572687061 /nfs/dbraw/zinc/68/70/61/572687061.db2.gz YUTSFEHOUUKKOJ-OPRDCNLKSA-N 2 2 194.278 1.525 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)C[C@H]1[NH2+]CC[C@@H]1C 299895691 572687386 /nfs/dbraw/zinc/68/73/86/572687386.db2.gz BCPHUEPBXIHHJV-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)C[C@H]1[NH2+]CC[C@@H]1C 299895691 572687390 /nfs/dbraw/zinc/68/73/90/572687390.db2.gz BCPHUEPBXIHHJV-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 235307928 572687578 /nfs/dbraw/zinc/68/75/78/572687578.db2.gz MAIVLFJUGBGYPH-MNOVXSKESA-N 2 2 182.311 1.635 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 235307928 572687582 /nfs/dbraw/zinc/68/75/82/572687582.db2.gz MAIVLFJUGBGYPH-MNOVXSKESA-N 2 2 182.311 1.635 10 0 ADAELP C=C/C=C/CC[NH2+][C@@H](C)C(=[NH2+])NO 713464499 572687602 /nfs/dbraw/zinc/68/76/02/572687602.db2.gz KDIYZJADAIWSJG-ZJELKQJVSA-N 2 2 183.255 1.053 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C 252741460 572687686 /nfs/dbraw/zinc/68/76/86/572687686.db2.gz ISHGBWHKGJBGFD-VXGBXAGGSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C 252741460 572687692 /nfs/dbraw/zinc/68/76/92/572687692.db2.gz ISHGBWHKGJBGFD-VXGBXAGGSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1C 299895692 572688449 /nfs/dbraw/zinc/68/84/49/572688449.db2.gz BCPHUEPBXIHHJV-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1C 299895692 572688453 /nfs/dbraw/zinc/68/84/53/572688453.db2.gz BCPHUEPBXIHHJV-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])c1ccco1 252971965 572688876 /nfs/dbraw/zinc/68/88/76/572688876.db2.gz YUTSFEHOUUKKOJ-KXUCPTDWSA-N 2 2 194.278 1.525 10 0 ADAELP CC[NH2+]CCc1c[nH+]cn1C1CC1 85190219 572692407 /nfs/dbraw/zinc/69/24/07/572692407.db2.gz UEHQKSJEXCAWCQ-UHFFFAOYSA-N 2 2 179.267 1.370 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)C[C@H]1[NH2+]CC[C@H]1C 299895690 572689492 /nfs/dbraw/zinc/68/94/92/572689492.db2.gz BCPHUEPBXIHHJV-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP CCCn1c[nH+]cc1/C=C/C[NH3+] 85187457 572692663 /nfs/dbraw/zinc/69/26/63/572692663.db2.gz OYIMAISGXAXVLM-ONEGZZNKSA-N 2 2 165.240 1.265 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1C 299895690 572689495 /nfs/dbraw/zinc/68/94/95/572689495.db2.gz BCPHUEPBXIHHJV-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP c1[nH+]cn(C2CC2)c1CC[NH2+]C1CC1 85190229 572690027 /nfs/dbraw/zinc/69/00/27/572690027.db2.gz RBLCUZGOABGQAA-UHFFFAOYSA-N 2 2 191.278 1.513 10 0 ADAELP CC[NH2+]CCc1c[nH+]cn1C(C)C 85188562 572690038 /nfs/dbraw/zinc/69/00/38/572690038.db2.gz KIUZOAYCBBAAAW-UHFFFAOYSA-N 2 2 181.283 1.616 10 0 ADAELP CC(C)n1c[nH+]cc1CSCC[NH3+] 85192722 572690064 /nfs/dbraw/zinc/69/00/64/572690064.db2.gz UFHZRMNWEKAYCW-UHFFFAOYSA-N 2 2 199.323 1.656 10 0 ADAELP CCO[C@H](C[NH3+])c1c[nH+]cn1C(C)C 85189493 572690075 /nfs/dbraw/zinc/69/00/75/572690075.db2.gz MCDTVMRNJXVWKQ-SNVBAGLBSA-N 2 2 197.282 1.500 10 0 ADAELP CCCn1c[nH+]cc1[C@@H](O)[C@H]([NH3+])CC 85186235 572690322 /nfs/dbraw/zinc/69/03/22/572690322.db2.gz YOPXHXIKZKZVEE-SCZZXKLOSA-N 2 2 197.282 1.064 10 0 ADAELP CCCn1c[nH+]cc1CSC(N)=[NH2+] 85192672 572690347 /nfs/dbraw/zinc/69/03/47/572690347.db2.gz POMXHJOTJLXDKB-UHFFFAOYSA-N 2 2 198.295 1.420 10 0 ADAELP CC(C)n1c[nH+]cc1CSC(N)=[NH2+] 85192855 572690413 /nfs/dbraw/zinc/69/04/13/572690413.db2.gz RKVKOCJCUXUYNF-UHFFFAOYSA-N 2 2 198.295 1.591 10 0 ADAELP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])c1ccoc1 252960114 572690510 /nfs/dbraw/zinc/69/05/10/572690510.db2.gz MVVHEQXDJYTXDX-DVVUODLYSA-N 2 2 194.278 1.525 10 0 ADAELP CCn1c[nH+]cc1/C=C/CC[NH3+] 85185551 572690590 /nfs/dbraw/zinc/69/05/90/572690590.db2.gz SPPNCHPQTZVPJP-HWKANZROSA-N 2 2 165.240 1.265 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H](C[NH3+])N(C)C 85188558 572690844 /nfs/dbraw/zinc/69/08/44/572690844.db2.gz DIDGOSWXWOYGDQ-VIFPVBQESA-N 2 2 196.298 1.025 10 0 ADAELP CC(C)n1c[nH+]cc1/C=C/CC[NH3+] 85189324 572690860 /nfs/dbraw/zinc/69/08/60/572690860.db2.gz PBYXOJRAKWLBFO-HWKANZROSA-N 2 2 179.267 1.826 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[NH2+]C[C@H](C)C1 54490891 572692670 /nfs/dbraw/zinc/69/26/70/572692670.db2.gz SQXFNSIHYHAIDP-QWRGUYRKSA-N 2 2 184.327 1.574 10 0 ADAELP CC[NH2+]C[C@H](O)c1c[nH+]cn1C(C)C 85189370 572691442 /nfs/dbraw/zinc/69/14/42/572691442.db2.gz ILMFPNLSSOESFE-JTQLQIEISA-N 2 2 197.282 1.107 10 0 ADAELP CC[C@H]([NH3+])[C@H](O)c1c[nH+]cn1C(C)C 85187906 572692810 /nfs/dbraw/zinc/69/28/10/572692810.db2.gz WZQUAPKVLHJLQF-WPRPVWTQSA-N 2 2 197.282 1.235 10 0 ADAELP CCCn1c[nH+]cc1[C@@H](O)C(C)(C)[NH3+] 85186250 572692818 /nfs/dbraw/zinc/69/28/18/572692818.db2.gz PYGLJYWISWBNOG-SECBINFHSA-N 2 2 197.282 1.064 10 0 ADAELP CCCn1c[nH+]cc1[C@H](O)[C@@H]([NH3+])CC 85186237 572691928 /nfs/dbraw/zinc/69/19/28/572691928.db2.gz YOPXHXIKZKZVEE-WCBMZHEXSA-N 2 2 197.282 1.064 10 0 ADAELP CCO[C@H](C[NH3+])c1c[nH+]cn1C1CC1 85191273 572692091 /nfs/dbraw/zinc/69/20/91/572692091.db2.gz KJJPALPWXBISOM-SNVBAGLBSA-N 2 2 195.266 1.254 10 0 ADAELP CCCn1c[nH+]cc1CSCC[NH3+] 85192542 572692213 /nfs/dbraw/zinc/69/22/13/572692213.db2.gz YQBUVPKZRZHRSS-UHFFFAOYSA-N 2 2 199.323 1.485 10 0 ADAELP CO[C@@H](C[NH3+])c1c[nH+]cn1C(C)C 85189497 572692376 /nfs/dbraw/zinc/69/23/76/572692376.db2.gz VHMIYQKSRDPBNL-VIFPVBQESA-N 2 2 183.255 1.110 10 0 ADAELP CO[C@H](C[NH3+])c1c[nH+]cn1C(C)C 85189495 572692473 /nfs/dbraw/zinc/69/24/73/572692473.db2.gz VHMIYQKSRDPBNL-SECBINFHSA-N 2 2 183.255 1.110 10 0 ADAELP CC[C@@H]([NH3+])[C@H](O)c1c[nH+]cn1C(C)C 85187908 572692539 /nfs/dbraw/zinc/69/25/39/572692539.db2.gz WZQUAPKVLHJLQF-SCZZXKLOSA-N 2 2 197.282 1.235 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[NH2+]C[C@H](C)C1 54490891 572692674 /nfs/dbraw/zinc/69/26/74/572692674.db2.gz SQXFNSIHYHAIDP-QWRGUYRKSA-N 2 2 184.327 1.574 10 0 ADAELP CCCn1c[nH+]cc1[C@H](O)C(C)(C)[NH3+] 85186249 572692765 /nfs/dbraw/zinc/69/27/65/572692765.db2.gz PYGLJYWISWBNOG-VIFPVBQESA-N 2 2 197.282 1.064 10 0 ADAELP CCO[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 85191272 572692787 /nfs/dbraw/zinc/69/27/87/572692787.db2.gz KJJPALPWXBISOM-JTQLQIEISA-N 2 2 195.266 1.254 10 0 ADAELP CC[NH2+]C[C@@H](O)c1c[nH+]cn1C(C)C 85189372 572692974 /nfs/dbraw/zinc/69/29/74/572692974.db2.gz ILMFPNLSSOESFE-SNVBAGLBSA-N 2 2 197.282 1.107 10 0 ADAELP CC(C)[NH2+]CCc1c[nH+]cn1C1CC1 85190223 572694113 /nfs/dbraw/zinc/69/41/13/572694113.db2.gz MSJCMTBTVFTMDM-UHFFFAOYSA-N 2 2 193.294 1.759 10 0 ADAELP CCCn1c[nH+]cc1Cn1cc[nH+]c1 85192663 572693024 /nfs/dbraw/zinc/69/30/24/572693024.db2.gz ZWVLYNRIUFTFGN-UHFFFAOYSA-N 2 2 190.250 1.538 10 0 ADAELP CCC[NH2+]CCc1c[nH+]cn1C1CC1 85190221 572693062 /nfs/dbraw/zinc/69/30/62/572693062.db2.gz SOOKXISUKFDQDM-UHFFFAOYSA-N 2 2 193.294 1.760 10 0 ADAELP [NH3+]CCSCc1c[nH+]cn1C1CC1 85192902 572693140 /nfs/dbraw/zinc/69/31/40/572693140.db2.gz GTTMNLMTAIHNJX-UHFFFAOYSA-N 2 2 197.307 1.410 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](O)c1c[nH+]cn1C(C)C 85187912 572693197 /nfs/dbraw/zinc/69/31/97/572693197.db2.gz WZQUAPKVLHJLQF-PSASIEDQSA-N 2 2 197.282 1.235 10 0 ADAELP CCCn1c[nH+]cc1/C=C/CC[NH3+] 85187459 572693329 /nfs/dbraw/zinc/69/33/29/572693329.db2.gz HVVOUXROJXGYLK-HWKANZROSA-N 2 2 179.267 1.655 10 0 ADAELP CC[C@@H](C)C[N@@H+]1CC[NH2+]C[C@H](C)C1 54490889 572694129 /nfs/dbraw/zinc/69/41/29/572694129.db2.gz SQXFNSIHYHAIDP-MNOVXSKESA-N 2 2 184.327 1.574 10 0 ADAELP CC[C@@H](C)C[N@H+]1CC[NH2+]C[C@H](C)C1 54490889 572694130 /nfs/dbraw/zinc/69/41/30/572694130.db2.gz SQXFNSIHYHAIDP-MNOVXSKESA-N 2 2 184.327 1.574 10 0 ADAELP CCn1c[nH+]cc1CSC(N)=[NH2+] 85192512 572693568 /nfs/dbraw/zinc/69/35/68/572693568.db2.gz FSOJSUXHSDDXBU-UHFFFAOYSA-N 2 2 184.268 1.030 10 0 ADAELP CCCn1c[nH+]cc1[C@@H](O)[C@@H]([NH3+])CC 85186238 572693639 /nfs/dbraw/zinc/69/36/39/572693639.db2.gz YOPXHXIKZKZVEE-WPRPVWTQSA-N 2 2 197.282 1.064 10 0 ADAELP CCn1c[nH+]cc1CSCC[NH3+] 85192338 572693650 /nfs/dbraw/zinc/69/36/50/572693650.db2.gz BUBQXCGUNUNSIX-UHFFFAOYSA-N 2 2 185.296 1.095 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1C[N@H+](C)C1CC1 235301745 572693741 /nfs/dbraw/zinc/69/37/41/572693741.db2.gz VRVFEMFUNFYFQR-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1C[N@@H+](C)C1CC1 235301745 572693743 /nfs/dbraw/zinc/69/37/43/572693743.db2.gz VRVFEMFUNFYFQR-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP CCO[C@@H](C[NH3+])c1c[nH+]cn1C(C)C 85189492 572693948 /nfs/dbraw/zinc/69/39/48/572693948.db2.gz MCDTVMRNJXVWKQ-JTQLQIEISA-N 2 2 197.282 1.500 10 0 ADAELP CCCn1c[nH+]cc1[C@H](O)[C@H]([NH3+])CC 85186233 572693986 /nfs/dbraw/zinc/69/39/86/572693986.db2.gz YOPXHXIKZKZVEE-PSASIEDQSA-N 2 2 197.282 1.064 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H](C[NH3+])N(C)C 85188556 572694053 /nfs/dbraw/zinc/69/40/53/572694053.db2.gz DIDGOSWXWOYGDQ-SECBINFHSA-N 2 2 196.298 1.025 10 0 ADAELP CC[C@H]([NH3+])[C@@H](O)c1c[nH+]cn1C(C)C 85187910 572694543 /nfs/dbraw/zinc/69/45/43/572694543.db2.gz WZQUAPKVLHJLQF-WCBMZHEXSA-N 2 2 197.282 1.235 10 0 ADAELP CCCn1c[nH+]cc1[C@@H](C[NH3+])OCC 85187623 572694581 /nfs/dbraw/zinc/69/45/81/572694581.db2.gz UEGXSVHSLQPTIY-SNVBAGLBSA-N 2 2 197.282 1.329 10 0 ADAELP CC(C)n1c[nH+]cc1CC[NH2+]C1CC1 85188568 572694641 /nfs/dbraw/zinc/69/46/41/572694641.db2.gz JKQOSPDFJGWOQK-UHFFFAOYSA-N 2 2 193.294 1.759 10 0 ADAELP C[NH2+]CCc1c[nH+]cn1C(C)C 85188561 572694684 /nfs/dbraw/zinc/69/46/84/572694684.db2.gz VBCRHCPOFRITPK-UHFFFAOYSA-N 2 2 167.256 1.226 10 0 ADAELP CCCn1c[nH+]cc1[C@H](C[NH3+])OCC 85187624 572694749 /nfs/dbraw/zinc/69/47/49/572694749.db2.gz UEGXSVHSLQPTIY-JTQLQIEISA-N 2 2 197.282 1.329 10 0 ADAELP [NH3+]CC/C=C/c1c[nH+]cn1C1CC1 85191113 572694792 /nfs/dbraw/zinc/69/47/92/572694792.db2.gz VELUVINMJJPTPN-HNQUOIGGSA-N 2 2 177.251 1.580 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C1CC1 253486544 572696388 /nfs/dbraw/zinc/69/63/88/572696388.db2.gz XZUQYDIFXCMSQA-FXPVBKGRSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@H+]1C1CC1 253486544 572696392 /nfs/dbraw/zinc/69/63/92/572696392.db2.gz XZUQYDIFXCMSQA-FXPVBKGRSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C1CC1 253486545 572696987 /nfs/dbraw/zinc/69/69/87/572696987.db2.gz XZUQYDIFXCMSQA-KKZNHRDASA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@H+]1C1CC1 253486545 572696991 /nfs/dbraw/zinc/69/69/91/572696991.db2.gz XZUQYDIFXCMSQA-KKZNHRDASA-N 2 2 180.295 1.221 10 0 ADAELP COc1ccc([C@H]([NH3+])[C@@H](C)[NH3+])cc1 207890075 572698676 /nfs/dbraw/zinc/69/86/76/572698676.db2.gz SUCXMXZPNKJMHP-GMSGAONNSA-N 2 2 180.251 1.042 10 0 ADAELP CC[N@H+](C[C@@H]1[NH2+]CC[C@H]1C)C1CC1 299896382 572701911 /nfs/dbraw/zinc/70/19/11/572701911.db2.gz JZQDYFFQPDTYJR-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+](C[C@@H]1[NH2+]CC[C@H]1C)C1CC1 299896382 572701913 /nfs/dbraw/zinc/70/19/13/572701913.db2.gz JZQDYFFQPDTYJR-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+]C[C@H](Cn1cc[nH+]c1)C(F)(F)F 236171095 572702210 /nfs/dbraw/zinc/70/22/10/572702210.db2.gz CLIJRXMCEKOLKS-ZCFIWIBFSA-N 2 2 193.172 1.020 10 0 ADAELP CC[N@H+](C[C@H]1[NH2+]CC[C@H]1C)C1CC1 299896383 572702317 /nfs/dbraw/zinc/70/23/17/572702317.db2.gz JZQDYFFQPDTYJR-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+](C[C@H]1[NH2+]CC[C@H]1C)C1CC1 299896383 572702319 /nfs/dbraw/zinc/70/23/19/572702319.db2.gz JZQDYFFQPDTYJR-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H]1CCN(c2c[nH+]ccc2C)C1 70558005 572702575 /nfs/dbraw/zinc/70/25/75/572702575.db2.gz MSOSERMPRDKTKQ-SNVBAGLBSA-N 2 2 191.278 1.188 10 0 ADAELP C[NH2+][C@H]1CCN(c2c[nH+]ccc2C)C1 70558004 572702746 /nfs/dbraw/zinc/70/27/46/572702746.db2.gz MSOSERMPRDKTKQ-JTQLQIEISA-N 2 2 191.278 1.188 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CCC1CCCC1 85197339 572703025 /nfs/dbraw/zinc/70/30/25/572703025.db2.gz MUESABYODXSKAC-UHFFFAOYSA-N 2 2 193.294 1.922 10 0 ADAELP CCCCCn1c[nH+]cc1C[NH3+] 85196127 572703382 /nfs/dbraw/zinc/70/33/82/572703382.db2.gz FNUAUZNFGCXRLS-UHFFFAOYSA-N 2 2 167.256 1.532 10 0 ADAELP [NH3+][C@H]1CCC[N@H+](CCc2ccco2)C1 70585920 572703392 /nfs/dbraw/zinc/70/33/92/572703392.db2.gz ILYOYJLYTJYWLE-JTQLQIEISA-N 2 2 194.278 1.245 10 0 ADAELP [NH3+][C@H]1CCC[N@@H+](CCc2ccco2)C1 70585920 572703398 /nfs/dbraw/zinc/70/33/98/572703398.db2.gz ILYOYJLYTJYWLE-JTQLQIEISA-N 2 2 194.278 1.245 10 0 ADAELP CC1(C)C[C@@H]1[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585884 572703463 /nfs/dbraw/zinc/70/34/63/572703463.db2.gz PYNONIXRCAFMJY-QWRGUYRKSA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@@H]1[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585884 572703467 /nfs/dbraw/zinc/70/34/67/572703467.db2.gz PYNONIXRCAFMJY-QWRGUYRKSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1C[C@H]1[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585419 572704212 /nfs/dbraw/zinc/70/42/12/572704212.db2.gz MVFAKBMNXPARJY-DVVUODLYSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1C[C@H]1[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585419 572704216 /nfs/dbraw/zinc/70/42/16/572704216.db2.gz MVFAKBMNXPARJY-DVVUODLYSA-N 2 2 180.295 1.221 10 0 ADAELP NC(=[NH2+])SCc1c[nH+]cn1C1CC1 85193047 572704571 /nfs/dbraw/zinc/70/45/71/572704571.db2.gz LTDNFYNYXRHZDU-UHFFFAOYSA-N 2 2 196.279 1.345 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2C)C1 70585407 572704718 /nfs/dbraw/zinc/70/47/18/572704718.db2.gz FDIJUWVRRABPJJ-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2C)C1 70585407 572704721 /nfs/dbraw/zinc/70/47/21/572704721.db2.gz FDIJUWVRRABPJJ-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@H]1[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585433 572704908 /nfs/dbraw/zinc/70/49/08/572704908.db2.gz HBFWWMHDLKYANA-ADEWGFFLSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1C[C@H]1[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585433 572704910 /nfs/dbraw/zinc/70/49/10/572704910.db2.gz HBFWWMHDLKYANA-ADEWGFFLSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585431 572705240 /nfs/dbraw/zinc/70/52/40/572705240.db2.gz HBFWWMHDLKYANA-USWWRNFRSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 70585431 572705244 /nfs/dbraw/zinc/70/52/44/572705244.db2.gz HBFWWMHDLKYANA-USWWRNFRSA-N 2 2 194.322 1.611 10 0 ADAELP CC[N@H+](CCF)[C@@](C)(CC)C[NH3+] 87774505 572705513 /nfs/dbraw/zinc/70/55/13/572705513.db2.gz PMUTZANQDWKRMM-VIFPVBQESA-N 2 2 176.279 1.405 10 0 ADAELP CC[N@@H+](CCF)[C@@](C)(CC)C[NH3+] 87774505 572705515 /nfs/dbraw/zinc/70/55/15/572705515.db2.gz PMUTZANQDWKRMM-VIFPVBQESA-N 2 2 176.279 1.405 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CCc1ccco1 85197701 572705538 /nfs/dbraw/zinc/70/55/38/572705538.db2.gz MZEQHJRLKPZIGA-UHFFFAOYSA-N 2 2 191.234 1.178 10 0 ADAELP [NH3+][C@@H]1CCC[N@H+](CCc2ccco2)C1 70585921 572705600 /nfs/dbraw/zinc/70/56/00/572705600.db2.gz ILYOYJLYTJYWLE-SNVBAGLBSA-N 2 2 194.278 1.245 10 0 ADAELP [NH3+][C@@H]1CCC[N@@H+](CCc2ccco2)C1 70585921 572705602 /nfs/dbraw/zinc/70/56/02/572705602.db2.gz ILYOYJLYTJYWLE-SNVBAGLBSA-N 2 2 194.278 1.245 10 0 ADAELP Cc1cc[nH+]cc1N1CCC[C@@H]([NH3+])C1 70585462 572705790 /nfs/dbraw/zinc/70/57/90/572705790.db2.gz OUPQJMSHUFTEJT-SNVBAGLBSA-N 2 2 191.278 1.318 10 0 ADAELP C[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCF)C1 87774042 572705853 /nfs/dbraw/zinc/70/58/53/572705853.db2.gz JFHGRWSQMCDQGP-UWVGGRQHSA-N 2 2 188.290 1.276 10 0 ADAELP C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CCF)C1 87774042 572705856 /nfs/dbraw/zinc/70/58/56/572705856.db2.gz JFHGRWSQMCDQGP-UWVGGRQHSA-N 2 2 188.290 1.276 10 0 ADAELP CCC[N@H+](CCF)[C@](C)(CC)C[NH3+] 87774508 572705961 /nfs/dbraw/zinc/70/59/61/572705961.db2.gz YPYSQPTXKSVTSX-SNVBAGLBSA-N 2 2 190.306 1.795 10 0 ADAELP CCC[N@@H+](CCF)[C@](C)(CC)C[NH3+] 87774508 572705966 /nfs/dbraw/zinc/70/59/66/572705966.db2.gz YPYSQPTXKSVTSX-SNVBAGLBSA-N 2 2 190.306 1.795 10 0 ADAELP C1CC1C[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584680 572706043 /nfs/dbraw/zinc/70/60/43/572706043.db2.gz ZOFSNESYBNVRRY-LLVKDONJSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC1C[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584680 572706048 /nfs/dbraw/zinc/70/60/48/572706048.db2.gz ZOFSNESYBNVRRY-LLVKDONJSA-N 2 2 180.295 1.223 10 0 ADAELP C[N@H+](CCF)C1(C[NH3+])CCCC1 87774497 572708681 /nfs/dbraw/zinc/70/86/81/572708681.db2.gz DJXKMGADVYAPBY-UHFFFAOYSA-N 2 2 174.263 1.159 10 0 ADAELP CC[N@H+](CCF)[C@](C)(CC)C[NH3+] 87774506 572706706 /nfs/dbraw/zinc/70/67/06/572706706.db2.gz PMUTZANQDWKRMM-SECBINFHSA-N 2 2 176.279 1.405 10 0 ADAELP CC[N@@H+](CCF)[C@](C)(CC)C[NH3+] 87774506 572706711 /nfs/dbraw/zinc/70/67/11/572706711.db2.gz PMUTZANQDWKRMM-SECBINFHSA-N 2 2 176.279 1.405 10 0 ADAELP CCCCCCn1c[nH+]cc1C[NH3+] 85199435 572706727 /nfs/dbraw/zinc/70/67/27/572706727.db2.gz AIAHBEGPOFKUGC-UHFFFAOYSA-N 2 2 181.283 1.922 10 0 ADAELP CCCCOCCn1c[nH+]cc1C[NH3+] 85198293 572706817 /nfs/dbraw/zinc/70/68/17/572706817.db2.gz ASOVVBBNSWPAMW-UHFFFAOYSA-N 2 2 197.282 1.159 10 0 ADAELP CC[C@@H](C)Cn1c[nH+]cc1C[NH3+] 85198838 572707241 /nfs/dbraw/zinc/70/72/41/572707241.db2.gz JJKHWQSECKUHMT-MRVPVSSYSA-N 2 2 167.256 1.388 10 0 ADAELP C[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCF)C1 87774041 572707250 /nfs/dbraw/zinc/70/72/50/572707250.db2.gz JFHGRWSQMCDQGP-NXEZZACHSA-N 2 2 188.290 1.276 10 0 ADAELP C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCF)C1 87774041 572707253 /nfs/dbraw/zinc/70/72/53/572707253.db2.gz JFHGRWSQMCDQGP-NXEZZACHSA-N 2 2 188.290 1.276 10 0 ADAELP CC[N@H+](CCF)C1(C[NH3+])CCCC1 87774498 572707327 /nfs/dbraw/zinc/70/73/27/572707327.db2.gz VVHINAZAXPDRML-UHFFFAOYSA-N 2 2 188.290 1.549 10 0 ADAELP CC[N@@H+](CCF)C1(C[NH3+])CCCC1 87774498 572707330 /nfs/dbraw/zinc/70/73/30/572707330.db2.gz VVHINAZAXPDRML-UHFFFAOYSA-N 2 2 188.290 1.549 10 0 ADAELP CC(C)[C@H](C)Cn1c[nH+]cc1C[NH3+] 85199622 572707429 /nfs/dbraw/zinc/70/74/29/572707429.db2.gz HTBFPIXLDQHPFW-SECBINFHSA-N 2 2 181.283 1.634 10 0 ADAELP CCC[NH2+]C1CC[NH+](CCF)CC1 87774035 572707527 /nfs/dbraw/zinc/70/75/27/572707527.db2.gz BFIQYSAICIPHDP-UHFFFAOYSA-N 2 2 188.290 1.420 10 0 ADAELP CC[N@H+](CCF)C(CC)(CC)C[NH3+] 87774510 572707716 /nfs/dbraw/zinc/70/77/16/572707716.db2.gz UQAWFBBEHFTHCW-UHFFFAOYSA-N 2 2 190.306 1.795 10 0 ADAELP CC[N@@H+](CCF)C(CC)(CC)C[NH3+] 87774510 572707734 /nfs/dbraw/zinc/70/77/34/572707734.db2.gz UQAWFBBEHFTHCW-UHFFFAOYSA-N 2 2 190.306 1.795 10 0 ADAELP CC(C)[C@@H](C)Cn1c[nH+]cc1C[NH3+] 85199618 572707892 /nfs/dbraw/zinc/70/78/92/572707892.db2.gz HTBFPIXLDQHPFW-VIFPVBQESA-N 2 2 181.283 1.634 10 0 ADAELP CCCC[C@@H]([NH3+])C[NH+]1CCC1 307876761 572711497 /nfs/dbraw/zinc/71/14/97/572711497.db2.gz NMLBLGDNNQAJPP-SECBINFHSA-N 2 2 156.273 1.210 10 0 ADAELP CC[C@H](C)Cn1c[nH+]cc1C[NH3+] 85198841 572707964 /nfs/dbraw/zinc/70/79/64/572707964.db2.gz JJKHWQSECKUHMT-QMMMGPOBSA-N 2 2 167.256 1.388 10 0 ADAELP CCC[N@H+](CCF)C(C)(C)C[NH3+] 87774502 572708041 /nfs/dbraw/zinc/70/80/41/572708041.db2.gz MTKIZRTWRILFFK-UHFFFAOYSA-N 2 2 176.279 1.405 10 0 ADAELP CCC[N@@H+](CCF)C(C)(C)C[NH3+] 87774502 572708044 /nfs/dbraw/zinc/70/80/44/572708044.db2.gz MTKIZRTWRILFFK-UHFFFAOYSA-N 2 2 176.279 1.405 10 0 ADAELP CC1(C)CC[C@H]([NH3+])[C@@H]([NH+]2CCCC2)C1 70622974 572711689 /nfs/dbraw/zinc/71/16/89/572711689.db2.gz GLHWYIUQCMIKIO-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCF)C1 87774040 572708248 /nfs/dbraw/zinc/70/82/48/572708248.db2.gz JFHGRWSQMCDQGP-VHSXEESVSA-N 2 2 188.290 1.276 10 0 ADAELP C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCF)C1 87774040 572708253 /nfs/dbraw/zinc/70/82/53/572708253.db2.gz JFHGRWSQMCDQGP-VHSXEESVSA-N 2 2 188.290 1.276 10 0 ADAELP CC[C@](C)(C[NH3+])[N@H+](C)CCF 87774504 572708280 /nfs/dbraw/zinc/70/82/80/572708280.db2.gz XURPMOVINSVOKP-MRVPVSSYSA-N 2 2 162.252 1.015 10 0 ADAELP CC[C@](C)(C[NH3+])[N@@H+](C)CCF 87774504 572708288 /nfs/dbraw/zinc/70/82/88/572708288.db2.gz XURPMOVINSVOKP-MRVPVSSYSA-N 2 2 162.252 1.015 10 0 ADAELP CCC[N@H+](CCF)[C@@](C)(CC)C[NH3+] 87774507 572708387 /nfs/dbraw/zinc/70/83/87/572708387.db2.gz YPYSQPTXKSVTSX-JTQLQIEISA-N 2 2 190.306 1.795 10 0 ADAELP CCC[N@@H+](CCF)[C@@](C)(CC)C[NH3+] 87774507 572708395 /nfs/dbraw/zinc/70/83/95/572708395.db2.gz YPYSQPTXKSVTSX-JTQLQIEISA-N 2 2 190.306 1.795 10 0 ADAELP CCC(CC)(C[NH3+])[N@H+](C)CCF 87774509 572708414 /nfs/dbraw/zinc/70/84/14/572708414.db2.gz ALZCFNMFSNGNOQ-UHFFFAOYSA-N 2 2 176.279 1.405 10 0 ADAELP CCC(CC)(C[NH3+])[N@@H+](C)CCF 87774509 572708418 /nfs/dbraw/zinc/70/84/18/572708418.db2.gz ALZCFNMFSNGNOQ-UHFFFAOYSA-N 2 2 176.279 1.405 10 0 ADAELP CC[C@@](C)(C[NH3+])[N@H+](C)CCF 87774503 572708634 /nfs/dbraw/zinc/70/86/34/572708634.db2.gz XURPMOVINSVOKP-QMMMGPOBSA-N 2 2 162.252 1.015 10 0 ADAELP CC[C@@](C)(C[NH3+])[N@@H+](C)CCF 87774503 572708637 /nfs/dbraw/zinc/70/86/37/572708637.db2.gz XURPMOVINSVOKP-QMMMGPOBSA-N 2 2 162.252 1.015 10 0 ADAELP C[N@@H+](CCF)C1(C[NH3+])CCCC1 87774497 572708686 /nfs/dbraw/zinc/70/86/86/572708686.db2.gz DJXKMGADVYAPBY-UHFFFAOYSA-N 2 2 174.263 1.159 10 0 ADAELP CC[NH2+]C[C@@H]1CCC[N@H+](CCF)C1 87775845 572709518 /nfs/dbraw/zinc/70/95/18/572709518.db2.gz QQPJSWMQVVHUIP-JTQLQIEISA-N 2 2 188.290 1.277 10 0 ADAELP CC[NH2+]C[C@@H]1CCC[N@@H+](CCF)C1 87775845 572709522 /nfs/dbraw/zinc/70/95/22/572709522.db2.gz QQPJSWMQVVHUIP-JTQLQIEISA-N 2 2 188.290 1.277 10 0 ADAELP C[NH2+]CC[C@@H]1CCCC[N@@H+]1CCF 87776624 572709911 /nfs/dbraw/zinc/70/99/11/572709911.db2.gz CFMALFSQPXELEU-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP C[NH2+]CC[C@@H]1CCCC[N@H+]1CCF 87776624 572709914 /nfs/dbraw/zinc/70/99/14/572709914.db2.gz CFMALFSQPXELEU-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP FCC[NH2+]CCCCn1cc[nH+]c1 87775024 572711140 /nfs/dbraw/zinc/71/11/40/572711140.db2.gz OTSMSMMQYGBONY-UHFFFAOYSA-N 2 2 185.246 1.222 10 0 ADAELP C[NH2+]CC[C@H]1CCCC[N@@H+]1CCF 87776625 572711534 /nfs/dbraw/zinc/71/15/34/572711534.db2.gz CFMALFSQPXELEU-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP C[NH2+]CC[C@H]1CCCC[N@H+]1CCF 87776625 572711536 /nfs/dbraw/zinc/71/15/36/572711536.db2.gz CFMALFSQPXELEU-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CCCC[C@@H](C[NH3+])[NH+]1CC2(CC2)C1 87780385 572714749 /nfs/dbraw/zinc/71/47/49/572714749.db2.gz BIBNIRWQVJFKHG-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP C[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]2)C1 70619518 572711631 /nfs/dbraw/zinc/71/16/31/572711631.db2.gz KVQFWLHAJLCZSX-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]2)C1 70619518 572711635 /nfs/dbraw/zinc/71/16/35/572711635.db2.gz KVQFWLHAJLCZSX-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]2)C1 70619517 572711875 /nfs/dbraw/zinc/71/18/75/572711875.db2.gz KVQFWLHAJLCZSX-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]2)C1 70619517 572711878 /nfs/dbraw/zinc/71/18/78/572711878.db2.gz KVQFWLHAJLCZSX-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CCCC[C@@H](C[NH3+])[NH+]1CC(C)(C)C1 87780406 572714814 /nfs/dbraw/zinc/71/48/14/572714814.db2.gz ZYRFOEXKUKAWOM-JTQLQIEISA-N 2 2 184.327 1.846 10 0 ADAELP CC[NH2+]C[C@H]1CCC[N@H+](CCF)C1 87775846 572713009 /nfs/dbraw/zinc/71/30/09/572713009.db2.gz QQPJSWMQVVHUIP-SNVBAGLBSA-N 2 2 188.290 1.277 10 0 ADAELP CC[NH2+]C[C@H]1CCC[N@@H+](CCF)C1 87775846 572713012 /nfs/dbraw/zinc/71/30/12/572713012.db2.gz QQPJSWMQVVHUIP-SNVBAGLBSA-N 2 2 188.290 1.277 10 0 ADAELP CCCC[C@H]([NH3+])C[NH+]1CCC1 307876763 572713015 /nfs/dbraw/zinc/71/30/15/572713015.db2.gz NMLBLGDNNQAJPP-VIFPVBQESA-N 2 2 156.273 1.210 10 0 ADAELP CC1(C)CC[C@@H]([NH3+])[C@H]([NH+]2CCCC2)C1 70622973 572713425 /nfs/dbraw/zinc/71/34/25/572713425.db2.gz GLHWYIUQCMIKIO-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP CCCC[C@H](C[NH3+])[NH+]1CC(C)(C)C1 87780408 572713809 /nfs/dbraw/zinc/71/38/09/572713809.db2.gz ZYRFOEXKUKAWOM-SNVBAGLBSA-N 2 2 184.327 1.846 10 0 ADAELP C[N@H+](CCF)CC[C@@H]1CCCC[NH2+]1 87779090 572714015 /nfs/dbraw/zinc/71/40/15/572714015.db2.gz JXXNEXXXVIJSPU-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP C[N@@H+](CCF)CC[C@@H]1CCCC[NH2+]1 87779090 572714021 /nfs/dbraw/zinc/71/40/21/572714021.db2.gz JXXNEXXXVIJSPU-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP [NH3+]CC[N@H+](CCF)C1CCCCC1 87777354 572714173 /nfs/dbraw/zinc/71/41/73/572714173.db2.gz BZCRFKAMYFHNDF-UHFFFAOYSA-N 2 2 188.290 1.549 10 0 ADAELP [NH3+]CC[N@@H+](CCF)C1CCCCC1 87777354 572714176 /nfs/dbraw/zinc/71/41/76/572714176.db2.gz BZCRFKAMYFHNDF-UHFFFAOYSA-N 2 2 188.290 1.549 10 0 ADAELP CC1(C)CC[C@H]([NH3+])[C@H]([NH+]2CCCC2)C1 70622972 572714280 /nfs/dbraw/zinc/71/42/80/572714280.db2.gz GLHWYIUQCMIKIO-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[C@@H]([NH3+])[C@@H]([NH+]2CCCC2)C1 70622975 572714457 /nfs/dbraw/zinc/71/44/57/572714457.db2.gz GLHWYIUQCMIKIO-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CCF)CC[C@H]1CCCC[NH2+]1 87779093 572714498 /nfs/dbraw/zinc/71/44/98/572714498.db2.gz JXXNEXXXVIJSPU-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP C[N@H+](CCF)CC[C@H]1CCCC[NH2+]1 87779093 572714492 /nfs/dbraw/zinc/71/44/92/572714492.db2.gz JXXNEXXXVIJSPU-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CCCC[C@H](C[NH3+])[NH+]1CC2(CC2)C1 87780387 572715155 /nfs/dbraw/zinc/71/51/55/572715155.db2.gz BIBNIRWQVJFKHG-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP CCC(CC)[N@H+](CC[NH3+])CCF 87777359 572715428 /nfs/dbraw/zinc/71/54/28/572715428.db2.gz LUGKPFRRTTUWGG-UHFFFAOYSA-N 2 2 176.279 1.405 10 0 ADAELP CCC(CC)[N@@H+](CC[NH3+])CCF 87777359 572715432 /nfs/dbraw/zinc/71/54/32/572715432.db2.gz LUGKPFRRTTUWGG-UHFFFAOYSA-N 2 2 176.279 1.405 10 0 ADAELP CCC[C@H]1C[N@H+](CCF)CCC[NH2+]1 87778358 572715688 /nfs/dbraw/zinc/71/56/88/572715688.db2.gz JVFOPPWXQNEZOQ-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP CCC[C@H]1C[N@@H+](CCF)CCC[NH2+]1 87778358 572715694 /nfs/dbraw/zinc/71/56/94/572715694.db2.gz JVFOPPWXQNEZOQ-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP CCCC[C@@H](C[NH3+])[NH+]1CC2(CCC2)C1 87780346 572716165 /nfs/dbraw/zinc/71/61/65/572716165.db2.gz LKLFKOCKMDIBQW-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP CC[N@@H+]([C@H]1CC[C@H](C)C1)[C@@H]1CC[NH2+]C1 70644931 572716559 /nfs/dbraw/zinc/71/65/59/572716559.db2.gz VBILWHMXPMOVSS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]([C@H]1CC[C@H](C)C1)[C@@H]1CC[NH2+]C1 70644931 572716564 /nfs/dbraw/zinc/71/65/64/572716564.db2.gz VBILWHMXPMOVSS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP CCCC[C@H](C[NH3+])[NH+]1CC2(CCC2)C1 87780348 572716592 /nfs/dbraw/zinc/71/65/92/572716592.db2.gz LKLFKOCKMDIBQW-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+]CC[NH2+]Cc1coc2ccccc12 87780769 572716696 /nfs/dbraw/zinc/71/66/96/572716696.db2.gz UDAMOELYRYJNNJ-UHFFFAOYSA-N 2 2 190.246 1.481 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C 308098599 572716746 /nfs/dbraw/zinc/71/67/46/572716746.db2.gz FIKHYDOORXMGNN-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C 308098599 572716751 /nfs/dbraw/zinc/71/67/51/572716751.db2.gz FIKHYDOORXMGNN-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[C@@H]1C[N@H+](CCF)CCC[NH2+]1 87778356 572716911 /nfs/dbraw/zinc/71/69/11/572716911.db2.gz JVFOPPWXQNEZOQ-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP Cc1cc[nH+]c(NCc2[nH]cc[nH+]2)c1 70646533 572716914 /nfs/dbraw/zinc/71/69/14/572716914.db2.gz WQKPZYCDEXBGDW-UHFFFAOYSA-N 2 2 188.234 1.725 10 0 ADAELP CCC[C@@H]1C[N@@H+](CCF)CCC[NH2+]1 87778356 572716916 /nfs/dbraw/zinc/71/69/16/572716916.db2.gz JVFOPPWXQNEZOQ-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C 308098601 572717185 /nfs/dbraw/zinc/71/71/85/572717185.db2.gz FIKHYDOORXMGNN-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C 308098601 572717189 /nfs/dbraw/zinc/71/71/89/572717189.db2.gz FIKHYDOORXMGNN-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CCn1cc[nH+]c1NCc1[nH]cc[nH+]1 70646554 572717222 /nfs/dbraw/zinc/71/72/22/572717222.db2.gz QSWPFGNNHRBJMR-UHFFFAOYSA-N 2 2 191.238 1.238 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C 308098604 572717405 /nfs/dbraw/zinc/71/74/05/572717405.db2.gz FIKHYDOORXMGNN-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C 308098604 572717409 /nfs/dbraw/zinc/71/74/09/572717409.db2.gz FIKHYDOORXMGNN-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]1CC[C@H]([N@H+](C)[C@@H]2CCC[NH2+]C2)C1 70644940 572718062 /nfs/dbraw/zinc/71/80/62/572718062.db2.gz CWVCHZXKSHHUQS-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@H]([N@@H+](C)[C@@H]2CCC[NH2+]C2)C1 70644940 572718064 /nfs/dbraw/zinc/71/80/64/572718064.db2.gz CWVCHZXKSHHUQS-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]CCCc1ccc(C)[nH+]c1 70639173 572718353 /nfs/dbraw/zinc/71/83/53/572718353.db2.gz WTGQYDNKNYRINY-UHFFFAOYSA-N 2 2 164.252 1.542 10 0 ADAELP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 70643633 572718536 /nfs/dbraw/zinc/71/85/36/572718536.db2.gz IOOQDHMFJOJTBM-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 70643633 572718540 /nfs/dbraw/zinc/71/85/40/572718540.db2.gz IOOQDHMFJOJTBM-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@@H]([N@H+](C)[C@@H]2CCC[NH2+]C2)C1 70644942 572718577 /nfs/dbraw/zinc/71/85/77/572718577.db2.gz CWVCHZXKSHHUQS-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@@H]([N@@H+](C)[C@@H]2CCC[NH2+]C2)C1 70644942 572718580 /nfs/dbraw/zinc/71/85/80/572718580.db2.gz CWVCHZXKSHHUQS-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 70643631 572718719 /nfs/dbraw/zinc/71/87/19/572718719.db2.gz IOOQDHMFJOJTBM-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 70643631 572718724 /nfs/dbraw/zinc/71/87/24/572718724.db2.gz IOOQDHMFJOJTBM-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)C1 70644930 572719576 /nfs/dbraw/zinc/71/95/76/572719576.db2.gz VBILWHMXPMOVSS-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CC[C@H](C)C1 70644930 572719580 /nfs/dbraw/zinc/71/95/80/572719580.db2.gz VBILWHMXPMOVSS-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH3+])SCc1c[nH+]cn1C 85309013 572721576 /nfs/dbraw/zinc/72/15/76/572721576.db2.gz WXKBSSGHEYHABI-ZETCQYMHSA-N 2 2 185.296 1.001 10 0 ADAELP CCn1c[nH+]cc1CS[C@@H](C)C[NH3+] 85308686 572721155 /nfs/dbraw/zinc/72/11/55/572721155.db2.gz GOKYMCWBZLNKTQ-QMMMGPOBSA-N 2 2 199.323 1.483 10 0 ADAELP CC(C)SCC[N@H+](C)CC[NH3+] 307880921 572721714 /nfs/dbraw/zinc/72/17/14/572721714.db2.gz RQODQJJTVMTHAV-UHFFFAOYSA-N 2 2 176.329 1.019 10 0 ADAELP CC(C)SCC[N@@H+](C)CC[NH3+] 307880921 572721715 /nfs/dbraw/zinc/72/17/15/572721715.db2.gz RQODQJJTVMTHAV-UHFFFAOYSA-N 2 2 176.329 1.019 10 0 ADAELP CCn1cc[nH+]c1CS[C@@H](C)C[NH3+] 85306941 572721755 /nfs/dbraw/zinc/72/17/55/572721755.db2.gz PDLBDAPUPPMBKR-QMMMGPOBSA-N 2 2 199.323 1.483 10 0 ADAELP C[C@@H]([NH3+])CSCCCn1cc[nH+]c1 85312973 572721798 /nfs/dbraw/zinc/72/17/98/572721798.db2.gz YMFLDTDEIZFKGX-SECBINFHSA-N 2 2 199.323 1.354 10 0 ADAELP C[C@H](C[NH3+])SCc1c[nH+]cn1C 85309014 572721930 /nfs/dbraw/zinc/72/19/30/572721930.db2.gz WXKBSSGHEYHABI-SSDOTTSWSA-N 2 2 185.296 1.001 10 0 ADAELP CSC[C@@H]1CCC[N@H+](CC[NH3+])C1 308099901 572722137 /nfs/dbraw/zinc/72/21/37/572722137.db2.gz FVWVOYWFJPZELX-SECBINFHSA-N 2 2 188.340 1.020 10 0 ADAELP CSC[C@@H]1CCC[N@@H+](CC[NH3+])C1 308099901 572722139 /nfs/dbraw/zinc/72/21/39/572722139.db2.gz FVWVOYWFJPZELX-SECBINFHSA-N 2 2 188.340 1.020 10 0 ADAELP CCn1cc[nH+]c1CSC[C@@H](C)[NH3+] 85313856 572722142 /nfs/dbraw/zinc/72/21/42/572722142.db2.gz PFTAIIPEDWQILJ-MRVPVSSYSA-N 2 2 199.323 1.483 10 0 ADAELP CCn1cc[nH+]c1CS[C@H](C)C[NH3+] 85306942 572723031 /nfs/dbraw/zinc/72/30/31/572723031.db2.gz PDLBDAPUPPMBKR-MRVPVSSYSA-N 2 2 199.323 1.483 10 0 ADAELP CCn1c[nH+]cc1CS[C@H](C)C[NH3+] 85308688 572723197 /nfs/dbraw/zinc/72/31/97/572723197.db2.gz GOKYMCWBZLNKTQ-MRVPVSSYSA-N 2 2 199.323 1.483 10 0 ADAELP C[C@H](C[NH3+])SCCCn1cc[nH+]c1 85307786 572723223 /nfs/dbraw/zinc/72/32/23/572723223.db2.gz SOGYWDAWQCFAFK-SECBINFHSA-N 2 2 199.323 1.354 10 0 ADAELP C[C@H](C[NH3+])SCc1[nH+]ccn1C 85308151 572723374 /nfs/dbraw/zinc/72/33/74/572723374.db2.gz CPMUOBAKCIIRMW-SSDOTTSWSA-N 2 2 185.296 1.001 10 0 ADAELP C[C@H]([NH3+])CCSCc1[nH+]ccn1C 85317455 572726430 /nfs/dbraw/zinc/72/64/30/572726430.db2.gz UZYFSEMNYKSTMF-QMMMGPOBSA-N 2 2 199.323 1.391 10 0 ADAELP C[C@H](C[NH3+])CSCCn1cc[nH+]c1 85320158 572727145 /nfs/dbraw/zinc/72/71/45/572727145.db2.gz RMXGCZQIOHJZPC-SECBINFHSA-N 2 2 199.323 1.211 10 0 ADAELP C[C@@H]([NH3+])CCSCc1[nH+]ccn1C 85317456 572723811 /nfs/dbraw/zinc/72/38/11/572723811.db2.gz UZYFSEMNYKSTMF-MRVPVSSYSA-N 2 2 199.323 1.391 10 0 ADAELP C[C@@H]([NH3+])CCSCCn1cc[nH+]c1 85316902 572723876 /nfs/dbraw/zinc/72/38/76/572723876.db2.gz NMIVOPHGNONIHJ-SECBINFHSA-N 2 2 199.323 1.354 10 0 ADAELP C[C@@H]([NH3+])CSCc1c[nH+]cn1C 85314479 572724304 /nfs/dbraw/zinc/72/43/04/572724304.db2.gz AYNKYJATBGCYAN-SSDOTTSWSA-N 2 2 185.296 1.001 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH3+])[C@H]1C(C)C 250385628 572724385 /nfs/dbraw/zinc/72/43/85/572724385.db2.gz XLTNGNTZAYOHAR-VHSXEESVSA-N 2 2 170.300 1.454 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH3+])[C@H]1C(C)C 250385628 572724388 /nfs/dbraw/zinc/72/43/88/572724388.db2.gz XLTNGNTZAYOHAR-VHSXEESVSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@H]([NH3+])CSCc1[nH+]ccn1C 85314141 572724401 /nfs/dbraw/zinc/72/44/01/572724401.db2.gz SOUCSDYBZRMUSY-ZETCQYMHSA-N 2 2 185.296 1.001 10 0 ADAELP CCn1c[nH+]cc1CSC[C@H](C)[NH3+] 85314339 572724410 /nfs/dbraw/zinc/72/44/10/572724410.db2.gz JSKXWUMCCHGOMM-QMMMGPOBSA-N 2 2 199.323 1.483 10 0 ADAELP C[C@H]([NH3+])CCSCc1c[nH+]cn1C 85317726 572724450 /nfs/dbraw/zinc/72/44/50/572724450.db2.gz SIUINBJVLBURRU-QMMMGPOBSA-N 2 2 199.323 1.391 10 0 ADAELP Cn1cc[nH+]c1CSCCC[NH3+] 85316129 572724726 /nfs/dbraw/zinc/72/47/26/572724726.db2.gz FIUPFYZGGKISPB-UHFFFAOYSA-N 2 2 185.296 1.002 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C(C)C 250385625 572724786 /nfs/dbraw/zinc/72/47/86/572724786.db2.gz XLTNGNTZAYOHAR-NXEZZACHSA-N 2 2 170.300 1.454 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C(C)C 250385625 572724790 /nfs/dbraw/zinc/72/47/90/572724790.db2.gz XLTNGNTZAYOHAR-NXEZZACHSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([NH3+])CSCc1[nH+]ccn1C 85314142 572725023 /nfs/dbraw/zinc/72/50/23/572725023.db2.gz SOUCSDYBZRMUSY-SSDOTTSWSA-N 2 2 185.296 1.001 10 0 ADAELP CC[C@@H](C1CC1)[N@H+](C)C[C@@H](C)[NH3+] 308104511 572725066 /nfs/dbraw/zinc/72/50/66/572725066.db2.gz HIZVPUKTFRNRHT-SCZZXKLOSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+](C)C[C@@H](C)[NH3+] 308104511 572725070 /nfs/dbraw/zinc/72/50/70/572725070.db2.gz HIZVPUKTFRNRHT-SCZZXKLOSA-N 2 2 170.300 1.454 10 0 ADAELP C/C=C\C[N@H+](CC)CC[NH2+]C(C)C 308105768 572725107 /nfs/dbraw/zinc/72/51/07/572725107.db2.gz PHFGPBACALMYLB-ALCCZGGFSA-N 2 2 184.327 1.882 10 0 ADAELP C/C=C\C[N@@H+](CC)CC[NH2+]C(C)C 308105768 572725112 /nfs/dbraw/zinc/72/51/12/572725112.db2.gz PHFGPBACALMYLB-ALCCZGGFSA-N 2 2 184.327 1.882 10 0 ADAELP CCn1c[nH+]cc1CSC[C@@H](C)[NH3+] 85314338 572725207 /nfs/dbraw/zinc/72/52/07/572725207.db2.gz JSKXWUMCCHGOMM-MRVPVSSYSA-N 2 2 199.323 1.483 10 0 ADAELP C/C=C\C[NH2+][C@H](C[NH+](C)C)C(C)C 308104304 572725260 /nfs/dbraw/zinc/72/52/60/572725260.db2.gz MORLKKSNTPDNFC-JMEBYUIHSA-N 2 2 184.327 1.738 10 0 ADAELP [NH3+]CCCSCCCn1cc[nH+]c1 85316062 572725342 /nfs/dbraw/zinc/72/53/42/572725342.db2.gz SSMGUACRYPUCBD-UHFFFAOYSA-N 2 2 199.323 1.355 10 0 ADAELP CCn1c[nH+]cc1/C=C\[C@@H](C)[NH2+]C 308100365 572725362 /nfs/dbraw/zinc/72/53/62/572725362.db2.gz FQQVSDZXJBUVDP-SSJHQANKSA-N 2 2 179.267 1.524 10 0 ADAELP CC[C@H](C1CC1)[N@H+](C)C[C@@H](C)[NH3+] 308104508 572725692 /nfs/dbraw/zinc/72/56/92/572725692.db2.gz HIZVPUKTFRNRHT-PSASIEDQSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([NH3+])CCSCc1c[nH+]cn1C 85317727 572725526 /nfs/dbraw/zinc/72/55/26/572725526.db2.gz SIUINBJVLBURRU-MRVPVSSYSA-N 2 2 199.323 1.391 10 0 ADAELP CC[C@H](C1CC1)[N@@H+](C)C[C@@H](C)[NH3+] 308104508 572725694 /nfs/dbraw/zinc/72/56/94/572725694.db2.gz HIZVPUKTFRNRHT-PSASIEDQSA-N 2 2 170.300 1.454 10 0 ADAELP CCn1c[nH+]cc1CSCCC[NH3+] 85316229 572725639 /nfs/dbraw/zinc/72/56/39/572725639.db2.gz SITIPTSBYWUBPC-UHFFFAOYSA-N 2 2 199.323 1.485 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2C[C@H]2C)c[nH+]1 54822609 572725654 /nfs/dbraw/zinc/72/56/54/572725654.db2.gz KZPHHHZLLVJOER-MUWHJKNJSA-N 2 2 165.240 1.216 10 0 ADAELP CC[C@@H](C1CC1)[N@H+](C)C[C@H](C)[NH3+] 308104518 572725740 /nfs/dbraw/zinc/72/57/40/572725740.db2.gz HIZVPUKTFRNRHT-WPRPVWTQSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+](C)C[C@H](C)[NH3+] 308104518 572725743 /nfs/dbraw/zinc/72/57/43/572725743.db2.gz HIZVPUKTFRNRHT-WPRPVWTQSA-N 2 2 170.300 1.454 10 0 ADAELP Cn1c[nH+]cc1CSCCC[NH3+] 85316296 572725806 /nfs/dbraw/zinc/72/58/06/572725806.db2.gz UVHADPBHQJOWND-UHFFFAOYSA-N 2 2 185.296 1.002 10 0 ADAELP C[C@H]([NH3+])CSCc1c[nH+]cn1C 85314478 572725924 /nfs/dbraw/zinc/72/59/24/572725924.db2.gz AYNKYJATBGCYAN-ZETCQYMHSA-N 2 2 185.296 1.001 10 0 ADAELP CCn1cc[nH+]c1CSCCC[NH3+] 85315908 572726143 /nfs/dbraw/zinc/72/61/43/572726143.db2.gz OXPYKYQHCXFFHH-UHFFFAOYSA-N 2 2 199.323 1.485 10 0 ADAELP C[C@H]([NH3+])CCSCCn1cc[nH+]c1 85316901 572726182 /nfs/dbraw/zinc/72/61/82/572726182.db2.gz NMIVOPHGNONIHJ-VIFPVBQESA-N 2 2 199.323 1.354 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2C[C@@H]2C)c[nH+]1 54822607 572726196 /nfs/dbraw/zinc/72/61/96/572726196.db2.gz KZPHHHZLLVJOER-RCOVLWMOSA-N 2 2 165.240 1.216 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2CC2(C)C)c[nH+]1 54822557 572726322 /nfs/dbraw/zinc/72/63/22/572726322.db2.gz WNUCZEHJWWCFBK-VIFPVBQESA-N 2 2 179.267 1.606 10 0 ADAELP Cc1[nH]c(C[NH2+]C(C)(C)C)c[nH+]1 54797657 572726608 /nfs/dbraw/zinc/72/66/08/572726608.db2.gz FIFAZGPEOHJYIF-UHFFFAOYSA-N 2 2 167.256 1.606 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2CC2(C)C)c[nH+]1 54822556 572726637 /nfs/dbraw/zinc/72/66/37/572726637.db2.gz WNUCZEHJWWCFBK-SECBINFHSA-N 2 2 179.267 1.606 10 0 ADAELP CCC[NH2+]Cc1c[nH+]c(C)[nH]1 54797660 572726684 /nfs/dbraw/zinc/72/66/84/572726684.db2.gz TVZNCLJOHIZHAK-UHFFFAOYSA-N 2 2 153.229 1.218 10 0 ADAELP C/C=C\C[NH2+][C@@H](C[NH+](C)C)C(C)C 308104305 572727201 /nfs/dbraw/zinc/72/72/01/572727201.db2.gz MORLKKSNTPDNFC-ZADCQDASSA-N 2 2 184.327 1.738 10 0 ADAELP CC[C@H](C1CC1)[N@H+](C)C[C@H](C)[NH3+] 308104514 572727278 /nfs/dbraw/zinc/72/72/78/572727278.db2.gz HIZVPUKTFRNRHT-WCBMZHEXSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@H](C1CC1)[N@@H+](C)C[C@H](C)[NH3+] 308104514 572727285 /nfs/dbraw/zinc/72/72/85/572727285.db2.gz HIZVPUKTFRNRHT-WCBMZHEXSA-N 2 2 170.300 1.454 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2C[C@@H]2C)c[nH+]1 54822606 572727547 /nfs/dbraw/zinc/72/75/47/572727547.db2.gz KZPHHHZLLVJOER-IMTBSYHQSA-N 2 2 165.240 1.216 10 0 ADAELP C[C@@H](C[NH3+])CSCCn1cc[nH+]c1 85320157 572727585 /nfs/dbraw/zinc/72/75/85/572727585.db2.gz RMXGCZQIOHJZPC-VIFPVBQESA-N 2 2 199.323 1.211 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2C[C@H]2C)c[nH+]1 54822608 572727655 /nfs/dbraw/zinc/72/76/55/572727655.db2.gz KZPHHHZLLVJOER-HZGVNTEJSA-N 2 2 165.240 1.216 10 0 ADAELP C/C=C\C[NH2+][C@@H](C)C[NH+]1CCCC1 308102025 572727713 /nfs/dbraw/zinc/72/77/13/572727713.db2.gz HQFMYYBLLOIWAF-BYCRGOAPSA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[NH2+][C@H](C)C[NH+]1CCCC1 308102030 572728277 /nfs/dbraw/zinc/72/82/77/572728277.db2.gz HQFMYYBLLOIWAF-DLRQAJBASA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[NH2+][C@@H](C)Cn1cc[nH+]c1 308100981 572729346 /nfs/dbraw/zinc/72/93/46/572729346.db2.gz FMVGMOQKSQEPKD-XOULXFPDSA-N 2 2 179.267 1.437 10 0 ADAELP CCc1c[nH+]c([C@@H]2CCC[C@@H]([NH3+])C2)[nH]1 77473686 572728892 /nfs/dbraw/zinc/72/88/92/572728892.db2.gz SALKANLAQPGWPU-RKDXNWHRSA-N 2 2 193.294 1.957 10 0 ADAELP Cn1cc[nH+]c1CSCC(C)(C)[NH3+] 85350792 572728966 /nfs/dbraw/zinc/72/89/66/572728966.db2.gz XNMIVJUNLQRRLF-UHFFFAOYSA-N 2 2 199.323 1.391 10 0 ADAELP Cc1[nH]c(C[NH2+]C2CCC2)c[nH+]1 54822605 572728988 /nfs/dbraw/zinc/72/89/88/572728988.db2.gz QCOCWXXIJIZWOH-UHFFFAOYSA-N 2 2 165.240 1.360 10 0 ADAELP C[C@@H](CC[NH3+])SCc1c[nH+]cn1C 85346528 572729253 /nfs/dbraw/zinc/72/92/53/572729253.db2.gz SHKGZWHXFGGEPK-QMMMGPOBSA-N 2 2 199.323 1.391 10 0 ADAELP CCc1c[nH+]c([C@@H]2CCC[C@H]([NH3+])C2)[nH]1 77473679 572729236 /nfs/dbraw/zinc/72/92/36/572729236.db2.gz SALKANLAQPGWPU-BDAKNGLRSA-N 2 2 193.294 1.957 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccoc1 308100535 572729466 /nfs/dbraw/zinc/72/94/66/572729466.db2.gz FZVSRONBDCCMTP-HTQZYQBOSA-N 2 2 168.240 1.105 10 0 ADAELP C/C=C\C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 308101016 572730209 /nfs/dbraw/zinc/73/02/09/572730209.db2.gz FVPPHCQRTNYSPS-MMJBKMRYSA-N 2 2 180.295 1.246 10 0 ADAELP CC[C@H]([NH3+])CSCc1[nH+]ccn1C 85349165 572729656 /nfs/dbraw/zinc/72/96/56/572729656.db2.gz XLDKGALGGSHVKN-QMMMGPOBSA-N 2 2 199.323 1.391 10 0 ADAELP CC[C@@H]([NH3+])CSCc1c[nH+]cn1C 85349436 572729716 /nfs/dbraw/zinc/72/97/16/572729716.db2.gz FMOMUTOZANTQGP-MRVPVSSYSA-N 2 2 199.323 1.391 10 0 ADAELP CC[C@@H]([NH3+])CSCCn1cc[nH+]c1 85348662 572729777 /nfs/dbraw/zinc/72/97/77/572729777.db2.gz MTPJNYRCLPPNHX-SECBINFHSA-N 2 2 199.323 1.354 10 0 ADAELP CCc1c[nH+]c([C@H]2CCC[C@H]([NH3+])C2)[nH]1 77473683 572729883 /nfs/dbraw/zinc/72/98/83/572729883.db2.gz SALKANLAQPGWPU-IUCAKERBSA-N 2 2 193.294 1.957 10 0 ADAELP CCc1c[nH+]c([C@H]2CCC[C@@H]([NH3+])C2)[nH]1 77473689 572730119 /nfs/dbraw/zinc/73/01/19/572730119.db2.gz SALKANLAQPGWPU-DTWKUNHWSA-N 2 2 193.294 1.957 10 0 ADAELP C/C=C\C[NH2+][C@H](C)Cn1cc[nH+]c1 308100980 572730144 /nfs/dbraw/zinc/73/01/44/572730144.db2.gz FMVGMOQKSQEPKD-UMBAGQNISA-N 2 2 179.267 1.437 10 0 ADAELP C/C=C\C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 308101016 572730205 /nfs/dbraw/zinc/73/02/05/572730205.db2.gz FVPPHCQRTNYSPS-MMJBKMRYSA-N 2 2 180.295 1.246 10 0 ADAELP CC[C@@H]([NH3+])CSCc1[nH+]ccn1C 85349166 572730237 /nfs/dbraw/zinc/73/02/37/572730237.db2.gz XLDKGALGGSHVKN-MRVPVSSYSA-N 2 2 199.323 1.391 10 0 ADAELP CC(C)([NH3+])CSCCn1cc[nH+]c1 85350515 572730294 /nfs/dbraw/zinc/73/02/94/572730294.db2.gz DEKKMENRFBFKAQ-UHFFFAOYSA-N 2 2 199.323 1.354 10 0 ADAELP C/C=C\C[N@H+]1CCC[C@H]([NH2+]CC)C1 308105993 572730348 /nfs/dbraw/zinc/73/03/48/572730348.db2.gz QIJJXMDUQMCRFK-MZBZXASESA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@@H+]1CCC[C@H]([NH2+]CC)C1 308105993 572730351 /nfs/dbraw/zinc/73/03/51/572730351.db2.gz QIJJXMDUQMCRFK-MZBZXASESA-N 2 2 182.311 1.636 10 0 ADAELP C[C@H](CC[NH3+])SCCn1cc[nH+]c1 85344768 572730680 /nfs/dbraw/zinc/73/06/80/572730680.db2.gz GBLZPQNTLVNBEH-SECBINFHSA-N 2 2 199.323 1.354 10 0 ADAELP C[C@@H](CC[NH3+])SCc1[nH+]ccn1C 85345984 572730703 /nfs/dbraw/zinc/73/07/03/572730703.db2.gz RDDAPDGVWXSESH-QMMMGPOBSA-N 2 2 199.323 1.391 10 0 ADAELP C[C@@H](CC[NH3+])SCCn1cc[nH+]c1 85344764 572730722 /nfs/dbraw/zinc/73/07/22/572730722.db2.gz GBLZPQNTLVNBEH-VIFPVBQESA-N 2 2 199.323 1.354 10 0 ADAELP C[C@H](CC[NH3+])SCc1c[nH+]cn1C 85346530 572730829 /nfs/dbraw/zinc/73/08/29/572730829.db2.gz SHKGZWHXFGGEPK-MRVPVSSYSA-N 2 2 199.323 1.391 10 0 ADAELP C/C=C\C[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 308101018 572730996 /nfs/dbraw/zinc/73/09/96/572730996.db2.gz FVPPHCQRTNYSPS-NPRAVPSUSA-N 2 2 180.295 1.246 10 0 ADAELP C/C=C\C[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 308101018 572730998 /nfs/dbraw/zinc/73/09/98/572730998.db2.gz FVPPHCQRTNYSPS-NPRAVPSUSA-N 2 2 180.295 1.246 10 0 ADAELP Cn1c[nH+]cc1CSCC(C)(C)[NH3+] 85350934 572731282 /nfs/dbraw/zinc/73/12/82/572731282.db2.gz MFINIPHUGQMOHC-UHFFFAOYSA-N 2 2 199.323 1.391 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C/C=C\Cl 308109808 572733164 /nfs/dbraw/zinc/73/31/64/572733164.db2.gz VBSMXSHQWJTXSF-XADBCAIWSA-N 2 2 199.685 1.614 10 0 ADAELP C[C@H](CC[NH3+])SCc1[nH+]ccn1C 85345985 572731429 /nfs/dbraw/zinc/73/14/29/572731429.db2.gz RDDAPDGVWXSESH-MRVPVSSYSA-N 2 2 199.323 1.391 10 0 ADAELP CC[C@H]([NH3+])CSCc1c[nH+]cn1C 85349435 572731470 /nfs/dbraw/zinc/73/14/70/572731470.db2.gz FMOMUTOZANTQGP-QMMMGPOBSA-N 2 2 199.323 1.391 10 0 ADAELP CC[C@H]([NH3+])CSCCn1cc[nH+]c1 85348661 572731484 /nfs/dbraw/zinc/73/14/84/572731484.db2.gz MTPJNYRCLPPNHX-VIFPVBQESA-N 2 2 199.323 1.354 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C/C=C\Cl 308109807 572733017 /nfs/dbraw/zinc/73/30/17/572733017.db2.gz VBSMXSHQWJTXSF-PKRMOACSSA-N 2 2 199.685 1.614 10 0 ADAELP C/C=C\C[NH2+]CCc1[nH+]ccn1C 308106137 572732459 /nfs/dbraw/zinc/73/24/59/572732459.db2.gz MXMCHNDRWRBXLK-ARJAWSKDSA-N 2 2 179.267 1.128 10 0 ADAELP [NH3+][C@H](c1c[nH]c2cc[nH+]cc12)C1CC1 713741716 572733450 /nfs/dbraw/zinc/73/34/50/572733450.db2.gz GPDMSPIEYDCDDX-NSHDSACASA-N 2 2 187.246 1.973 10 0 ADAELP CC[N@H+](C)CCNc1cc[nH+]c(C)n1 54936603 572733848 /nfs/dbraw/zinc/73/38/48/572733848.db2.gz NHQHKONSYOKYND-UHFFFAOYSA-N 2 2 194.282 1.149 10 0 ADAELP CC[N@@H+](C)CCNc1cc[nH+]c(C)n1 54936603 572733850 /nfs/dbraw/zinc/73/38/50/572733850.db2.gz NHQHKONSYOKYND-UHFFFAOYSA-N 2 2 194.282 1.149 10 0 ADAELP [NH3+][C@@H](c1c[nH]c2cc[nH+]cc12)C1CC1 713741709 572735541 /nfs/dbraw/zinc/73/55/41/572735541.db2.gz GPDMSPIEYDCDDX-LLVKDONJSA-N 2 2 187.246 1.973 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+](COCC2CC2)C1 236186114 572734942 /nfs/dbraw/zinc/73/49/42/572734942.db2.gz WGEULHLAESSVCT-NSHDSACASA-N 2 2 198.310 1.041 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+](COCC2CC2)C1 236186114 572734946 /nfs/dbraw/zinc/73/49/46/572734946.db2.gz WGEULHLAESSVCT-NSHDSACASA-N 2 2 198.310 1.041 10 0 ADAELP CC[N@@H+]1C[C@H](C)C[C@@H]([NH2+]C2CC2)C1 250403093 572735106 /nfs/dbraw/zinc/73/51/06/572735106.db2.gz ZINTXTBVLLTNHX-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1C[C@H](C)C[C@@H]([NH2+]C2CC2)C1 250403093 572735109 /nfs/dbraw/zinc/73/51/09/572735109.db2.gz ZINTXTBVLLTNHX-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](CC[NH3+])SCc1[nH]cc[nH+]1 308107903 572735657 /nfs/dbraw/zinc/73/56/57/572735657.db2.gz IQZXMNOULWOKRE-ZETCQYMHSA-N 2 2 185.296 1.380 10 0 ADAELP C[C@H](CC[NH3+])SCc1[nH]cc[nH+]1 308107898 572736379 /nfs/dbraw/zinc/73/63/79/572736379.db2.gz IQZXMNOULWOKRE-SSDOTTSWSA-N 2 2 185.296 1.380 10 0 ADAELP CC[N@@H+]1C[C@@H](C)C[C@@H]([NH2+]C2CC2)C1 250403090 572736456 /nfs/dbraw/zinc/73/64/56/572736456.db2.gz ZINTXTBVLLTNHX-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1C[C@@H](C)C[C@@H]([NH2+]C2CC2)C1 250403090 572736463 /nfs/dbraw/zinc/73/64/63/572736463.db2.gz ZINTXTBVLLTNHX-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP C/C=C\C[N@H+]1CCC[C@@H]1C[NH2+]CC 308108229 572737323 /nfs/dbraw/zinc/73/73/23/572737323.db2.gz VGQGHHXLJCVHSQ-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@@H+]1CCC[C@@H]1C[NH2+]CC 308108229 572737324 /nfs/dbraw/zinc/73/73/24/572737324.db2.gz VGQGHHXLJCVHSQ-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 688689089 572738874 /nfs/dbraw/zinc/73/88/74/572738874.db2.gz SGAMINVKUPAJPP-IJLUTSLNSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 688689089 572738878 /nfs/dbraw/zinc/73/88/78/572738878.db2.gz SGAMINVKUPAJPP-IJLUTSLNSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 688689088 572740825 /nfs/dbraw/zinc/74/08/25/572740825.db2.gz SGAMINVKUPAJPP-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 688689088 572740828 /nfs/dbraw/zinc/74/08/28/572740828.db2.gz SGAMINVKUPAJPP-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C 688689090 572740935 /nfs/dbraw/zinc/74/09/35/572740935.db2.gz SGAMINVKUPAJPP-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C 688689090 572740939 /nfs/dbraw/zinc/74/09/39/572740939.db2.gz SGAMINVKUPAJPP-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP C/C=C/C[N@H+](CCC)CC[NH3+] 307895841 572741005 /nfs/dbraw/zinc/74/10/05/572741005.db2.gz IOFFKFBRLZEFRR-HWKANZROSA-N 2 2 156.273 1.233 10 0 ADAELP C/C=C/C[N@@H+](CCC)CC[NH3+] 307895841 572741010 /nfs/dbraw/zinc/74/10/10/572741010.db2.gz IOFFKFBRLZEFRR-HWKANZROSA-N 2 2 156.273 1.233 10 0 ADAELP C/C=C\C[N@H+](CCC)CC[NH3+] 307895842 572741034 /nfs/dbraw/zinc/74/10/34/572741034.db2.gz IOFFKFBRLZEFRR-HYXAFXHYSA-N 2 2 156.273 1.233 10 0 ADAELP C/C=C\C[N@@H+](CCC)CC[NH3+] 307895842 572741036 /nfs/dbraw/zinc/74/10/36/572741036.db2.gz IOFFKFBRLZEFRR-HYXAFXHYSA-N 2 2 156.273 1.233 10 0 ADAELP CCC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 688689091 572741037 /nfs/dbraw/zinc/74/10/37/572741037.db2.gz SGAMINVKUPAJPP-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 688689091 572741042 /nfs/dbraw/zinc/74/10/42/572741042.db2.gz SGAMINVKUPAJPP-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C=C/C=C/CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 713484590 572742078 /nfs/dbraw/zinc/74/20/78/572742078.db2.gz DUNGGIAFATZAFN-CYLBZQBVSA-N 2 2 194.322 1.801 10 0 ADAELP C=C/C=C/CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 713484590 572742071 /nfs/dbraw/zinc/74/20/71/572742071.db2.gz DUNGGIAFATZAFN-CYLBZQBVSA-N 2 2 194.322 1.801 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439299 572742457 /nfs/dbraw/zinc/74/24/57/572742457.db2.gz NPPFXPUYHJGLKW-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@@H]1C[NH2+]CC[C@@H]1C 85439299 572742459 /nfs/dbraw/zinc/74/24/59/572742459.db2.gz NPPFXPUYHJGLKW-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C=C/C=C/CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 713484592 572742505 /nfs/dbraw/zinc/74/25/05/572742505.db2.gz DUNGGIAFATZAFN-IEVRTODYSA-N 2 2 194.322 1.801 10 0 ADAELP C=C/C=C/CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 713484592 572742510 /nfs/dbraw/zinc/74/25/10/572742510.db2.gz DUNGGIAFATZAFN-IEVRTODYSA-N 2 2 194.322 1.801 10 0 ADAELP CCC[N@H+](CC)[C@H]1C[NH2+]CC[C@@H]1C 85439262 572743384 /nfs/dbraw/zinc/74/33/84/572743384.db2.gz PUBWHBIUNMHUFR-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[N@@H+](CC)[C@H]1C[NH2+]CC[C@@H]1C 85439262 572743388 /nfs/dbraw/zinc/74/33/88/572743388.db2.gz PUBWHBIUNMHUFR-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CC[C@H]1n1c[nH+]cc1C1C[NH2+]C1 307635735 572743441 /nfs/dbraw/zinc/74/34/41/572743441.db2.gz SLILRXABEZMSRT-WCBMZHEXSA-N 2 2 191.278 1.541 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H]1C[NH2+]CC[C@@H]1C 85439286 572743512 /nfs/dbraw/zinc/74/35/12/572743512.db2.gz PDFZJSUKLGGPIZ-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H]1C[NH2+]CC[C@@H]1C 85439286 572743525 /nfs/dbraw/zinc/74/35/25/572743525.db2.gz PDFZJSUKLGGPIZ-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1CC[C@@H]1n1c[nH+]cc1C1C[NH2+]C1 307635734 572743543 /nfs/dbraw/zinc/74/35/43/572743543.db2.gz SLILRXABEZMSRT-SCZZXKLOSA-N 2 2 191.278 1.541 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2CCC[C@H]2C)c[nH+]1 70828520 572743763 /nfs/dbraw/zinc/74/37/63/572743763.db2.gz FYVORULHZCZFAK-KCJUWKMLSA-N 2 2 193.294 1.996 10 0 ADAELP C[NH2+]CCN(C)c1c[nH+]ccc1C 85439029 572743769 /nfs/dbraw/zinc/74/37/69/572743769.db2.gz NJYNAKFJYZGIMC-UHFFFAOYSA-N 2 2 179.267 1.046 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2CCC[C@@H]2C)c[nH+]1 70828512 572743800 /nfs/dbraw/zinc/74/38/00/572743800.db2.gz FYVORULHZCZFAK-KWQFWETISA-N 2 2 193.294 1.996 10 0 ADAELP CC[N@H+](CC(C)C)[C@H]1C[NH2+]CC[C@@H]1C 85439287 572743962 /nfs/dbraw/zinc/74/39/62/572743962.db2.gz PDFZJSUKLGGPIZ-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+](CC(C)C)[C@H]1C[NH2+]CC[C@@H]1C 85439287 572743965 /nfs/dbraw/zinc/74/39/65/572743965.db2.gz PDFZJSUKLGGPIZ-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP Cc1cc[nH+]cc1NCCCC[NH3+] 85439021 572744639 /nfs/dbraw/zinc/74/46/39/572744639.db2.gz DIECDHSINKVSQE-UHFFFAOYSA-N 2 2 179.267 1.541 10 0 ADAELP CCC[N@H+](CC)[C@@H]1C[NH2+]CC[C@@H]1C 85439260 572744879 /nfs/dbraw/zinc/74/48/79/572744879.db2.gz PUBWHBIUNMHUFR-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1C[NH2+]CC[C@@H]1C 85439260 572744881 /nfs/dbraw/zinc/74/48/81/572744881.db2.gz PUBWHBIUNMHUFR-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[NH2+][C@@H](C[NH+](C)C)C(C)C 49195329 572744915 /nfs/dbraw/zinc/74/49/15/572744915.db2.gz YKJUUIUQKDIPSM-NSHDSACASA-N 2 2 186.343 1.818 10 0 ADAELP C=C/C=C\CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 713484589 572745199 /nfs/dbraw/zinc/74/51/99/572745199.db2.gz DUNGGIAFATZAFN-ABZJQCSKSA-N 2 2 194.322 1.801 10 0 ADAELP C=C/C=C\CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 713484589 572745203 /nfs/dbraw/zinc/74/52/03/572745203.db2.gz DUNGGIAFATZAFN-ABZJQCSKSA-N 2 2 194.322 1.801 10 0 ADAELP CC[NH2+]C1(C[NH+](C)C)CCC1 307636150 572745325 /nfs/dbraw/zinc/74/53/25/572745325.db2.gz UEJFDTDTUWVIEM-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CC1(C2CC2)CC1 236192796 572745496 /nfs/dbraw/zinc/74/54/96/572745496.db2.gz CSEIYPLTRJZKGX-UHFFFAOYSA-N 2 2 191.278 1.532 10 0 ADAELP CC[NH2+][C@H](C[NH+](C)C)C(C)C 49196533 572745682 /nfs/dbraw/zinc/74/56/82/572745682.db2.gz SXQRVNKWPFKDOW-SECBINFHSA-N 2 2 158.289 1.182 10 0 ADAELP C=C/C=C\CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 713484591 572745853 /nfs/dbraw/zinc/74/58/53/572745853.db2.gz DUNGGIAFATZAFN-GKKDLHFNSA-N 2 2 194.322 1.801 10 0 ADAELP C=C/C=C\CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 713484591 572745857 /nfs/dbraw/zinc/74/58/57/572745857.db2.gz DUNGGIAFATZAFN-GKKDLHFNSA-N 2 2 194.322 1.801 10 0 ADAELP C[C@H]1CC[C@@H]1n1c[nH+]cc1C1C[NH2+]C1 307635736 572745969 /nfs/dbraw/zinc/74/59/69/572745969.db2.gz SLILRXABEZMSRT-WPRPVWTQSA-N 2 2 191.278 1.541 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2CCC[C@H]2C)c[nH+]1 70828516 572746155 /nfs/dbraw/zinc/74/61/55/572746155.db2.gz FYVORULHZCZFAK-LDYMZIIASA-N 2 2 193.294 1.996 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2CCC[C@@H]2C)c[nH+]1 70828511 572746364 /nfs/dbraw/zinc/74/63/64/572746364.db2.gz FYVORULHZCZFAK-GZMMTYOYSA-N 2 2 193.294 1.996 10 0 ADAELP Cc1ccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])C2)o1 49216713 572746512 /nfs/dbraw/zinc/74/65/12/572746512.db2.gz KITCZEXLYOIQAL-ZJUUUORDSA-N 2 2 194.278 1.682 10 0 ADAELP Cc1ccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])C2)o1 49216713 572746517 /nfs/dbraw/zinc/74/65/17/572746517.db2.gz KITCZEXLYOIQAL-ZJUUUORDSA-N 2 2 194.278 1.682 10 0 ADAELP C[NH2+]CCCc1c[nH+]ccc1C 85442758 572746796 /nfs/dbraw/zinc/74/67/96/572746796.db2.gz NJPFDMJSBKTYKT-UHFFFAOYSA-N 2 2 164.252 1.542 10 0 ADAELP C[C@@H](c1ccoc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235334579 572747508 /nfs/dbraw/zinc/74/75/08/572747508.db2.gz UXKIXSFMPVMXMR-YWVKMMECSA-N 2 2 194.278 1.620 10 0 ADAELP C[C@@H](c1ccoc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235334579 572747512 /nfs/dbraw/zinc/74/75/12/572747512.db2.gz UXKIXSFMPVMXMR-YWVKMMECSA-N 2 2 194.278 1.620 10 0 ADAELP C[NH2+]C[C@H](C)Cc1c[nH+]ccc1C 85442869 572747786 /nfs/dbraw/zinc/74/77/86/572747786.db2.gz WKROJWSVXNRWRY-SECBINFHSA-N 2 2 178.279 1.788 10 0 ADAELP Cc1ccc([C@H](C)[N@@H+]2CC[C@H]([NH3+])C2)o1 49216717 572747837 /nfs/dbraw/zinc/74/78/37/572747837.db2.gz KITCZEXLYOIQAL-UWVGGRQHSA-N 2 2 194.278 1.682 10 0 ADAELP Cc1ccc([C@H](C)[N@H+]2CC[C@H]([NH3+])C2)o1 49216717 572747841 /nfs/dbraw/zinc/74/78/41/572747841.db2.gz KITCZEXLYOIQAL-UWVGGRQHSA-N 2 2 194.278 1.682 10 0 ADAELP Cc1cc[nH+]cc1Cc1c[nH+]ccc1N 85442340 572747934 /nfs/dbraw/zinc/74/79/34/572747934.db2.gz XZNYHSRLMVTFCV-UHFFFAOYSA-N 2 2 199.257 1.958 10 0 ADAELP Cc1cc[nH+]cc1Cc1cc[nH+]c(N)c1 85442342 572748462 /nfs/dbraw/zinc/74/84/62/572748462.db2.gz IJRZVENTNBWHPG-UHFFFAOYSA-N 2 2 199.257 1.958 10 0 ADAELP CCC[NH2+]C[C@@H]1CC[C@H]1n1cc[nH+]c1 87923653 572748543 /nfs/dbraw/zinc/74/85/43/572748543.db2.gz PNFPBKPCHQIMMZ-WDEREUQCSA-N 2 2 193.294 1.834 10 0 ADAELP CC[NH2+]C[C@H]1CC[C@@H]1n1cc[nH+]c1 87923648 572748682 /nfs/dbraw/zinc/74/86/82/572748682.db2.gz UYJNQCIKAOMHCJ-ZJUUUORDSA-N 2 2 179.267 1.444 10 0 ADAELP CC(C)[NH2+]C[C@@H]1CC[C@@H]1n1cc[nH+]c1 87923667 572748716 /nfs/dbraw/zinc/74/87/16/572748716.db2.gz IKDHDEUJADQEAF-QWRGUYRKSA-N 2 2 193.294 1.832 10 0 ADAELP C[NH2+]C[C@@H](C)Cc1c[nH+]ccc1C 85442871 572748764 /nfs/dbraw/zinc/74/87/64/572748764.db2.gz WKROJWSVXNRWRY-VIFPVBQESA-N 2 2 178.279 1.788 10 0 ADAELP c1cn([C@@H]2CC[C@H]2C[NH2+]C2CC2)c[nH+]1 87923657 572749049 /nfs/dbraw/zinc/74/90/49/572749049.db2.gz VUCRJTKEDJQYFT-GXSJLCMTSA-N 2 2 191.278 1.586 10 0 ADAELP CC[NH2+]CCCc1c[nH+]ccc1C 85442760 572749198 /nfs/dbraw/zinc/74/91/98/572749198.db2.gz JUTPDEWKRUJUOC-UHFFFAOYSA-N 2 2 178.279 1.932 10 0 ADAELP CC(C)[NH2+]C[C@@H]1CC[C@H]1n1cc[nH+]c1 87923669 572749490 /nfs/dbraw/zinc/74/94/90/572749490.db2.gz IKDHDEUJADQEAF-WDEREUQCSA-N 2 2 193.294 1.832 10 0 ADAELP C[NH2+][C@H](C)CCc1c[nH+]ccc1C 85442772 572749577 /nfs/dbraw/zinc/74/95/77/572749577.db2.gz HSVRTEHZCJWURR-SNVBAGLBSA-N 2 2 178.279 1.931 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)N1CCCC1=[NH2+] 49235770 572749601 /nfs/dbraw/zinc/74/96/01/572749601.db2.gz ZWYVWDNKOYRTRB-SECBINFHSA-N 2 2 192.266 1.345 10 0 ADAELP C[NH2+][C@@H](C)CCc1c[nH+]ccc1C 85442775 572749612 /nfs/dbraw/zinc/74/96/12/572749612.db2.gz HSVRTEHZCJWURR-JTQLQIEISA-N 2 2 178.279 1.931 10 0 ADAELP Cc1cc[nH+]cc1Cc1ccc[nH+]c1N 85442349 572749625 /nfs/dbraw/zinc/74/96/25/572749625.db2.gz UHNZXGSJQZAERL-UHFFFAOYSA-N 2 2 199.257 1.958 10 0 ADAELP CC[NH2+]C[C@@H]1CC[C@@H]1n1cc[nH+]c1 87923647 572749644 /nfs/dbraw/zinc/74/96/44/572749644.db2.gz UYJNQCIKAOMHCJ-UWVGGRQHSA-N 2 2 179.267 1.444 10 0 ADAELP c1cn([C@H]2CC[C@@H]2C[NH2+]C2CC2)c[nH+]1 87923656 572749728 /nfs/dbraw/zinc/74/97/28/572749728.db2.gz VUCRJTKEDJQYFT-KOLCDFICSA-N 2 2 191.278 1.586 10 0 ADAELP CC(C)[NH2+]C[C@H]1CC[C@@H]1n1cc[nH+]c1 87923668 572749956 /nfs/dbraw/zinc/74/99/56/572749956.db2.gz IKDHDEUJADQEAF-MNOVXSKESA-N 2 2 193.294 1.832 10 0 ADAELP CCC[NH2+]C[C@H]1CC[C@H]1n1cc[nH+]c1 87923654 572750554 /nfs/dbraw/zinc/75/05/54/572750554.db2.gz PNFPBKPCHQIMMZ-GHMZBOCLSA-N 2 2 193.294 1.834 10 0 ADAELP CC(C)[NH2+]C[C@H]1CC[C@H]1n1cc[nH+]c1 87923670 572750569 /nfs/dbraw/zinc/75/05/69/572750569.db2.gz IKDHDEUJADQEAF-GHMZBOCLSA-N 2 2 193.294 1.832 10 0 ADAELP c1cn([C@@H]2CC[C@@H]2C[NH2+]C2CC2)c[nH+]1 87923655 572750636 /nfs/dbraw/zinc/75/06/36/572750636.db2.gz VUCRJTKEDJQYFT-MWLCHTKSSA-N 2 2 191.278 1.586 10 0 ADAELP CCC[NH2+]C[C@@H]1CC[C@@H]1n1cc[nH+]c1 87923651 572750696 /nfs/dbraw/zinc/75/06/96/572750696.db2.gz PNFPBKPCHQIMMZ-QWRGUYRKSA-N 2 2 193.294 1.834 10 0 ADAELP CC[NH2+]C[C@@H]1CC[C@H]1n1cc[nH+]c1 87923649 572750706 /nfs/dbraw/zinc/75/07/06/572750706.db2.gz UYJNQCIKAOMHCJ-VHSXEESVSA-N 2 2 179.267 1.444 10 0 ADAELP c1cn([C@H]2CC[C@H]2C[NH2+]C2CC2)c[nH+]1 87923658 572750725 /nfs/dbraw/zinc/75/07/25/572750725.db2.gz VUCRJTKEDJQYFT-ONGXEEELSA-N 2 2 191.278 1.586 10 0 ADAELP CCC[NH2+]C[C@H]1CC[C@@H]1n1cc[nH+]c1 87923652 572751253 /nfs/dbraw/zinc/75/12/53/572751253.db2.gz PNFPBKPCHQIMMZ-MNOVXSKESA-N 2 2 193.294 1.834 10 0 ADAELP CC[NH2+]C[C@H]1CC[C@H]1n1cc[nH+]c1 87923650 572751308 /nfs/dbraw/zinc/75/13/08/572751308.db2.gz UYJNQCIKAOMHCJ-NXEZZACHSA-N 2 2 179.267 1.444 10 0 ADAELP CC[C@](C)(C[NH3+])Nc1cc(C)[nH+]cn1 70894877 572751759 /nfs/dbraw/zinc/75/17/59/572751759.db2.gz MNCOZLPAYZYGQE-SNVBAGLBSA-N 2 2 194.282 1.324 10 0 ADAELP CC(C)=CC[N@@H+](C)[C@@H]1CC[NH2+]C1 70895128 572752701 /nfs/dbraw/zinc/75/27/01/572752701.db2.gz COWRYNOSESOWOW-SNVBAGLBSA-N 2 2 168.284 1.246 10 0 ADAELP CC(C)=CC[N@H+](C)[C@@H]1CC[NH2+]C1 70895128 572752704 /nfs/dbraw/zinc/75/27/04/572752704.db2.gz COWRYNOSESOWOW-SNVBAGLBSA-N 2 2 168.284 1.246 10 0 ADAELP CC[C@@](C)(C[NH3+])Nc1cc(C)[nH+]cn1 70894869 572754180 /nfs/dbraw/zinc/75/41/80/572754180.db2.gz MNCOZLPAYZYGQE-JTQLQIEISA-N 2 2 194.282 1.324 10 0 ADAELP CCCn1cc[nH+]c1C(C)(C)C[NH3+] 87934638 572756216 /nfs/dbraw/zinc/75/62/16/572756216.db2.gz QXHMOXGNFRTFEI-UHFFFAOYSA-N 2 2 181.283 1.529 10 0 ADAELP CCCn1cc[nH+]c1[C@H](C)C[NH3+] 87934547 572756596 /nfs/dbraw/zinc/75/65/96/572756596.db2.gz JIZIXFRVGIHBRE-MRVPVSSYSA-N 2 2 167.256 1.355 10 0 ADAELP Cc1c[nH+]c(NCC(C)(C)[NH3+])c(C)c1 307639056 572756898 /nfs/dbraw/zinc/75/68/98/572756898.db2.gz ZIJGFWAYQQGMIM-UHFFFAOYSA-N 2 2 193.294 1.848 10 0 ADAELP CCCn1cc[nH+]c1[C@@H](C)C[NH3+] 87934546 572757019 /nfs/dbraw/zinc/75/70/19/572757019.db2.gz JIZIXFRVGIHBRE-QMMMGPOBSA-N 2 2 167.256 1.355 10 0 ADAELP [NH3+]CCC[NH2+]Cc1ccoc1Cl 236209337 572758275 /nfs/dbraw/zinc/75/82/75/572758275.db2.gz YXQSCZUVWGUFJB-UHFFFAOYSA-N 2 2 188.658 1.371 10 0 ADAELP [NH3+]C/C=C\CNc1cccc[nH+]1 307921933 572758652 /nfs/dbraw/zinc/75/86/52/572758652.db2.gz GXANUZVCNPGXAW-RQOWECAXSA-N 2 2 163.224 1.008 10 0 ADAELP CC[NH2+][C@H](C)/C=C\c1c[nH+]cn1C 308115595 572759666 /nfs/dbraw/zinc/75/96/66/572759666.db2.gz RAOLUUGSOTZKIM-SSJHQANKSA-N 2 2 179.267 1.431 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H]1CCC[NH2+]C1 70958648 572759804 /nfs/dbraw/zinc/75/98/04/572759804.db2.gz OVWDXFKGUMFPBP-SNVBAGLBSA-N 2 2 191.278 1.554 10 0 ADAELP Cc1cc[nH+]cc1N[C@H]1CCC[NH2+]C1 70958650 572760066 /nfs/dbraw/zinc/76/00/66/572760066.db2.gz OVWDXFKGUMFPBP-JTQLQIEISA-N 2 2 191.278 1.554 10 0 ADAELP CC[NH2+][C@@H](C)/C=C\c1c[nH+]cn1C 308115596 572760530 /nfs/dbraw/zinc/76/05/30/572760530.db2.gz RAOLUUGSOTZKIM-UDIARPCQSA-N 2 2 179.267 1.431 10 0 ADAELP Cc1cc[nH+]cc1NC1CC[NH2+]CC1 70958593 572760565 /nfs/dbraw/zinc/76/05/65/572760565.db2.gz LBYAQRLPIZFMEX-UHFFFAOYSA-N 2 2 191.278 1.554 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])[C@H](c2[nH+]ccn2C)C1 87936091 572761079 /nfs/dbraw/zinc/76/10/79/572761079.db2.gz AQIFKBUEMHNWQO-AEJSXWLSSA-N 2 2 193.294 1.651 10 0 ADAELP C[C@H]1CC[C@@H]([NH3+])[C@H](c2[nH+]ccn2C)C1 87936093 572761210 /nfs/dbraw/zinc/76/12/10/572761210.db2.gz AQIFKBUEMHNWQO-IVZWLZJFSA-N 2 2 193.294 1.651 10 0 ADAELP CC[NH2+]C[C@@H](C)[C@@H](C)n1cc[nH+]c1 87949421 572761981 /nfs/dbraw/zinc/76/19/81/572761981.db2.gz BMIQZPFUBVXVIE-NXEZZACHSA-N 2 2 181.283 1.690 10 0 ADAELP CC[NH2+]C[C@H](C)[C@H](C)n1cc[nH+]c1 87949426 572761998 /nfs/dbraw/zinc/76/19/98/572761998.db2.gz BMIQZPFUBVXVIE-UWVGGRQHSA-N 2 2 181.283 1.690 10 0 ADAELP CC[C@@H](C)[N@H+](CC[NH3+])CCF 307913498 572762007 /nfs/dbraw/zinc/76/20/07/572762007.db2.gz ZGQYIKALHRCMOP-MRVPVSSYSA-N 2 2 162.252 1.015 10 0 ADAELP CC[C@@H](C)[N@@H+](CC[NH3+])CCF 307913498 572762011 /nfs/dbraw/zinc/76/20/11/572762011.db2.gz ZGQYIKALHRCMOP-MRVPVSSYSA-N 2 2 162.252 1.015 10 0 ADAELP CC[NH2+]C[C@@H](C)[C@H](C)n1cc[nH+]c1 87949425 572762455 /nfs/dbraw/zinc/76/24/55/572762455.db2.gz BMIQZPFUBVXVIE-ZJUUUORDSA-N 2 2 181.283 1.690 10 0 ADAELP CC[NH2+]C[C@H](C)[C@@H](C)n1cc[nH+]c1 87949423 572762849 /nfs/dbraw/zinc/76/28/49/572762849.db2.gz BMIQZPFUBVXVIE-VHSXEESVSA-N 2 2 181.283 1.690 10 0 ADAELP [NH3+]Cc1c[nH+]cn1CCCCF 308121073 572763213 /nfs/dbraw/zinc/76/32/13/572763213.db2.gz PUIPMGVPFJYHQN-UHFFFAOYSA-N 2 2 171.219 1.092 10 0 ADAELP CC[N@H+](C)Cc1csc([C@H](C)[NH3+])n1 85549574 572763905 /nfs/dbraw/zinc/76/39/05/572763905.db2.gz JTPTXESQPJITPA-ZETCQYMHSA-N 2 2 199.323 1.615 10 0 ADAELP CC[C@H](C)[N@@H+](CC[NH3+])CCF 307913499 572764020 /nfs/dbraw/zinc/76/40/20/572764020.db2.gz ZGQYIKALHRCMOP-QMMMGPOBSA-N 2 2 162.252 1.015 10 0 ADAELP CC[N@@H+](C)Cc1csc([C@H](C)[NH3+])n1 85549574 572763908 /nfs/dbraw/zinc/76/39/08/572763908.db2.gz JTPTXESQPJITPA-ZETCQYMHSA-N 2 2 199.323 1.615 10 0 ADAELP CC[C@H](C)[N@H+](CC[NH3+])CCF 307913499 572764016 /nfs/dbraw/zinc/76/40/16/572764016.db2.gz ZGQYIKALHRCMOP-QMMMGPOBSA-N 2 2 162.252 1.015 10 0 ADAELP [NH3+]C[C@H]1CCC[N@H+](COCC2CC2)C1 236220557 572764427 /nfs/dbraw/zinc/76/44/27/572764427.db2.gz WGEULHLAESSVCT-LLVKDONJSA-N 2 2 198.310 1.041 10 0 ADAELP [NH3+]C[C@H]1CCC[N@@H+](COCC2CC2)C1 236220557 572764431 /nfs/dbraw/zinc/76/44/31/572764431.db2.gz WGEULHLAESSVCT-LLVKDONJSA-N 2 2 198.310 1.041 10 0 ADAELP CCC[C@@](C)([NH3+])C[NH2+]CCF 307917865 572765072 /nfs/dbraw/zinc/76/50/72/572765072.db2.gz CPYXCXLEXSHLNB-MRVPVSSYSA-N 2 2 162.252 1.063 10 0 ADAELP CC[C@@H](C[NH2+]C1CC1)[NH+]1CCC1 308122115 572766819 /nfs/dbraw/zinc/76/68/19/572766819.db2.gz RCLUMVMOZZZDAJ-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP CCC[C@](C)([NH3+])C[NH2+]CCF 307917867 572766979 /nfs/dbraw/zinc/76/69/79/572766979.db2.gz CPYXCXLEXSHLNB-QMMMGPOBSA-N 2 2 162.252 1.063 10 0 ADAELP CC[C@H](C[NH2+]C1CC1)[NH+]1CCC1 308122123 572767716 /nfs/dbraw/zinc/76/77/16/572767716.db2.gz RCLUMVMOZZZDAJ-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[C@@H]1C[NH2+]C 87954634 572768435 /nfs/dbraw/zinc/76/84/35/572768435.db2.gz PYARHMVFSMPUCZ-NXEZZACHSA-N 2 2 193.294 1.616 10 0 ADAELP Cc1c[nH+]c([C@H]([NH3+])CC2CC2)cc1N 713746839 572768850 /nfs/dbraw/zinc/76/88/50/572768850.db2.gz FOYDAKGQLLXFEO-SNVBAGLBSA-N 2 2 191.278 1.772 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[C@H]1C[NH2+]C 87954636 572769493 /nfs/dbraw/zinc/76/94/93/572769493.db2.gz PYARHMVFSMPUCZ-VHSXEESVSA-N 2 2 193.294 1.616 10 0 ADAELP Cc1c[nH+]c([C@@H]([NH3+])CC2CC2)cc1N 713746838 572769932 /nfs/dbraw/zinc/76/99/32/572769932.db2.gz FOYDAKGQLLXFEO-JTQLQIEISA-N 2 2 191.278 1.772 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[C@H]1C[NH2+]C 87954637 572770056 /nfs/dbraw/zinc/77/00/56/572770056.db2.gz PYARHMVFSMPUCZ-UWVGGRQHSA-N 2 2 193.294 1.616 10 0 ADAELP CCn1cc[nH+]c1C(C)(C)CC[NH2+]C 87957119 572770652 /nfs/dbraw/zinc/77/06/52/572770652.db2.gz DZBDKZQXASCFCZ-UHFFFAOYSA-N 2 2 195.310 1.790 10 0 ADAELP C[NH2+]CCC(C)(C)c1[nH+]ccn1C 87957019 572773141 /nfs/dbraw/zinc/77/31/41/572773141.db2.gz DVHTVNYCARCHPM-UHFFFAOYSA-N 2 2 181.283 1.307 10 0 ADAELP CC[NH2+]CCC(C)(C)c1[nH+]ccn1C 87957203 572774265 /nfs/dbraw/zinc/77/42/65/572774265.db2.gz PVJPJHROJFTUJZ-UHFFFAOYSA-N 2 2 195.310 1.697 10 0 ADAELP C/C=C\CC[N@H+]1CC[C@H]([NH2+]C)C1 307925652 572774600 /nfs/dbraw/zinc/77/46/00/572774600.db2.gz FQDSTOPJWWQITD-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\CC[N@@H+]1CC[C@H]([NH2+]C)C1 307925652 572774603 /nfs/dbraw/zinc/77/46/03/572774603.db2.gz FQDSTOPJWWQITD-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP CCC[N@H+](CC[NH3+])C/C(C)=C/Cl 307928108 572776207 /nfs/dbraw/zinc/77/62/07/572776207.db2.gz AHEAUBVDIGVNPG-VQHVLOKHSA-N 2 2 190.718 1.800 10 0 ADAELP CCC[N@@H+](CC[NH3+])C/C(C)=C/Cl 307928108 572776210 /nfs/dbraw/zinc/77/62/10/572776210.db2.gz AHEAUBVDIGVNPG-VQHVLOKHSA-N 2 2 190.718 1.800 10 0 ADAELP C/C=C\CC[N@H+]1CC[C@@H]([NH2+]C)C1 307925651 572776304 /nfs/dbraw/zinc/77/63/04/572776304.db2.gz FQDSTOPJWWQITD-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\CC[N@@H+]1CC[C@@H]([NH2+]C)C1 307925651 572776308 /nfs/dbraw/zinc/77/63/08/572776308.db2.gz FQDSTOPJWWQITD-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP CCC[N@H+](CC[NH3+])C/C(C)=C\Cl 307928106 572776370 /nfs/dbraw/zinc/77/63/70/572776370.db2.gz AHEAUBVDIGVNPG-CLFYSBASSA-N 2 2 190.718 1.800 10 0 ADAELP CCC[N@@H+](CC[NH3+])C/C(C)=C\Cl 307928106 572776375 /nfs/dbraw/zinc/77/63/75/572776375.db2.gz AHEAUBVDIGVNPG-CLFYSBASSA-N 2 2 190.718 1.800 10 0 ADAELP C[C@H](C[NH3+])[NH2+]Cc1sccc1F 307929251 572779014 /nfs/dbraw/zinc/77/90/14/572779014.db2.gz BFMFZFDBPZFSNN-ZCFIWIBFSA-N 2 2 188.271 1.324 10 0 ADAELP C[NH2+][C@@H](C)/C(C)=C\c1c[nH+]cn1C 308119401 572779281 /nfs/dbraw/zinc/77/92/81/572779281.db2.gz ZGTFWWYXOCVBKP-RDOCRHDPSA-N 2 2 179.267 1.431 10 0 ADAELP C[NH2+][C@H](C)/C(C)=C\c1c[nH+]cn1C 308119399 572780478 /nfs/dbraw/zinc/78/04/78/572780478.db2.gz ZGTFWWYXOCVBKP-BZJXQOFCSA-N 2 2 179.267 1.431 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1cccs1 308129034 572782679 /nfs/dbraw/zinc/78/26/79/572782679.db2.gz GYUJXNBBHHPNPE-RKDXNWHRSA-N 2 2 198.335 1.916 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1cccs1 308129034 572782682 /nfs/dbraw/zinc/78/26/82/572782682.db2.gz GYUJXNBBHHPNPE-RKDXNWHRSA-N 2 2 198.335 1.916 10 0 ADAELP CCC[NH2+]C[C@H](CC)[NH+]1CCC1 308128697 572782700 /nfs/dbraw/zinc/78/27/00/572782700.db2.gz WKXBVTPTLVKQDE-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)Cc1cccs1 308129025 572783384 /nfs/dbraw/zinc/78/33/84/572783384.db2.gz GYUJXNBBHHPNPE-BDAKNGLRSA-N 2 2 198.335 1.916 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)Cc1cccs1 308129025 572783386 /nfs/dbraw/zinc/78/33/86/572783386.db2.gz GYUJXNBBHHPNPE-BDAKNGLRSA-N 2 2 198.335 1.916 10 0 ADAELP CCC[NH2+]C[C@@H](CC)[NH+]1CCC1 308128698 572783551 /nfs/dbraw/zinc/78/35/51/572783551.db2.gz WKXBVTPTLVKQDE-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC(C)[NH2+]C[C@H]1CC[N@H+](CCF)C1 308128880 572783682 /nfs/dbraw/zinc/78/36/82/572783682.db2.gz AVZZDMDDMYTELA-SNVBAGLBSA-N 2 2 188.290 1.276 10 0 ADAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](CCF)C1 308128880 572783683 /nfs/dbraw/zinc/78/36/83/572783683.db2.gz AVZZDMDDMYTELA-SNVBAGLBSA-N 2 2 188.290 1.276 10 0 ADAELP Cn1c[nH+]c(CC[NH2+]C(C)(C)C)c1 308128635 572785271 /nfs/dbraw/zinc/78/52/71/572785271.db2.gz CKDCOBMCXPCHND-UHFFFAOYSA-N 2 2 181.283 1.351 10 0 ADAELP CCC[NH2+]CC[N@H+](C)CC1(C)CC1 308129868 572785802 /nfs/dbraw/zinc/78/58/02/572785802.db2.gz DBKKHYFXBGWOEJ-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)CC1(C)CC1 308129868 572785805 /nfs/dbraw/zinc/78/58/05/572785805.db2.gz DBKKHYFXBGWOEJ-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP C/C=C\C[NH2+]CC[N@H+](C)C1CC1 307932401 572787093 /nfs/dbraw/zinc/78/70/93/572787093.db2.gz AJPJANODFOUESR-ARJAWSKDSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[NH2+]CC[N@@H+](C)C1CC1 307932401 572787094 /nfs/dbraw/zinc/78/70/94/572787094.db2.gz AJPJANODFOUESR-ARJAWSKDSA-N 2 2 168.284 1.246 10 0 ADAELP C[NH2+]C[C@H](C)[NH+]1CC(C(C)(C)C)C1 308131220 572787256 /nfs/dbraw/zinc/78/72/56/572787256.db2.gz JBJBXTXIMVBFAT-VIFPVBQESA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+]C[C@@H](C)[NH+]1CC(C(C)(C)C)C1 308131218 572786935 /nfs/dbraw/zinc/78/69/35/572786935.db2.gz JBJBXTXIMVBFAT-SECBINFHSA-N 2 2 184.327 1.572 10 0 ADAELP CC[C@@H]([NH3+])C(C)(C)[NH+](CC)CC 85738899 572787772 /nfs/dbraw/zinc/78/77/72/572787772.db2.gz ACYGRZXHZYPBMG-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@H]([NH3+])C(C)(C)[NH+](CC)CC 85738896 572788101 /nfs/dbraw/zinc/78/81/01/572788101.db2.gz ACYGRZXHZYPBMG-VIFPVBQESA-N 2 2 172.316 1.844 10 0 ADAELP CC[NH+](CC)C(C)(C)[C@@H](C)[NH2+]C 85739342 572788600 /nfs/dbraw/zinc/78/86/00/572788600.db2.gz ZSTAGSUEDRTIPD-SECBINFHSA-N 2 2 172.316 1.715 10 0 ADAELP CC[NH+](CC)[C@](C)(CC)[C@@H](C)[NH3+] 85747831 572789753 /nfs/dbraw/zinc/78/97/53/572789753.db2.gz KXUHDWJDHGFCCT-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CC[NH+](CC)[C@](C)(CC)[C@H](C)[NH3+] 85747840 572789452 /nfs/dbraw/zinc/78/94/52/572789452.db2.gz KXUHDWJDHGFCCT-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CC[NH+](CC)[C@@](C)(CC)[C@H](C)[NH3+] 85747835 572789564 /nfs/dbraw/zinc/78/95/64/572789564.db2.gz KXUHDWJDHGFCCT-UWVGGRQHSA-N 2 2 172.316 1.844 10 0 ADAELP CC[NH+](CC)C(C)(C)[C@@H]([NH3+])C1CC1 85739188 572789841 /nfs/dbraw/zinc/78/98/41/572789841.db2.gz YYYNDSINJHQVHW-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH+](CC)C(C)(C)[C@H]([NH3+])C1CC1 85739184 572789867 /nfs/dbraw/zinc/78/98/67/572789867.db2.gz YYYNDSINJHQVHW-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH+](CC)C(C)(C)[C@H](C)[NH2+]C 85739346 572790268 /nfs/dbraw/zinc/79/02/68/572790268.db2.gz ZSTAGSUEDRTIPD-VIFPVBQESA-N 2 2 172.316 1.715 10 0 ADAELP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])n1 308128380 572790586 /nfs/dbraw/zinc/79/05/86/572790586.db2.gz GEVCKKXXZJORIG-SFYZADRCSA-N 2 2 199.323 1.277 10 0 ADAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](C)[NH3+] 85747828 572791211 /nfs/dbraw/zinc/79/12/11/572791211.db2.gz KXUHDWJDHGFCCT-ZJUUUORDSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@H+](C)CC[NH2+]CCCF 688690211 572791551 /nfs/dbraw/zinc/79/15/51/572791551.db2.gz YFFNKTRFMLLJKP-UHFFFAOYSA-N 2 2 176.279 1.277 10 0 ADAELP CCC[N@@H+](C)CC[NH2+]CCCF 688690211 572791552 /nfs/dbraw/zinc/79/15/52/572791552.db2.gz YFFNKTRFMLLJKP-UHFFFAOYSA-N 2 2 176.279 1.277 10 0 ADAELP CC[C@H]1CC[N@H+](CC2CCC2)CC[NH2+]1 49661881 572791974 /nfs/dbraw/zinc/79/19/74/572791974.db2.gz XWWGARFSWZODDZ-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CC[N@@H+](CC2CCC2)CC[NH2+]1 49661881 572791982 /nfs/dbraw/zinc/79/19/82/572791982.db2.gz XWWGARFSWZODDZ-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CC[N@H+](CC2CCC2)CC[NH2+]1 49661887 572792013 /nfs/dbraw/zinc/79/20/13/572792013.db2.gz WNQRIJHOCXLHHT-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CC[N@@H+](CC2CCC2)CC[NH2+]1 49661887 572792017 /nfs/dbraw/zinc/79/20/17/572792017.db2.gz WNQRIJHOCXLHHT-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CC[N@@H+](C(C)(C)C)CC[NH2+]1 49660777 572792085 /nfs/dbraw/zinc/79/20/85/572792085.db2.gz PGKZXMWADOJTHF-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1CC[N@H+](C(C)(C)C)CC[NH2+]1 49660777 572792089 /nfs/dbraw/zinc/79/20/89/572792089.db2.gz PGKZXMWADOJTHF-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](CC(C)(C)C)C1 49662331 572792139 /nfs/dbraw/zinc/79/21/39/572792139.db2.gz QXQSSHWWYWUQOH-JTQLQIEISA-N 2 2 184.327 1.574 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](CC(C)(C)C)C1 49662331 572792142 /nfs/dbraw/zinc/79/21/42/572792142.db2.gz QXQSSHWWYWUQOH-JTQLQIEISA-N 2 2 184.327 1.574 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49661370 572792232 /nfs/dbraw/zinc/79/22/32/572792232.db2.gz ZCGGWUZRTUJFGC-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 49661370 572792236 /nfs/dbraw/zinc/79/22/36/572792236.db2.gz ZCGGWUZRTUJFGC-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC(CC)([C@@H](C)[NH2+]C)[NH+](C)C 85750801 572792292 /nfs/dbraw/zinc/79/22/92/572792292.db2.gz ODDJNYIFEWNSBX-SECBINFHSA-N 2 2 172.316 1.715 10 0 ADAELP CCC(CC)[N@@H+]1CC[NH2+]C[C@@H](C)C1 49661546 572792266 /nfs/dbraw/zinc/79/22/66/572792266.db2.gz UEKUWJYWPPBZGK-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CCC(CC)[N@H+]1CC[NH2+]C[C@@H](C)C1 49661546 572792273 /nfs/dbraw/zinc/79/22/73/572792273.db2.gz UEKUWJYWPPBZGK-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CCC(C)(C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49661564 572792494 /nfs/dbraw/zinc/79/24/94/572792494.db2.gz NRDXSRWLJHXVHH-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CCC(C)(C)[N@H+]1CC[NH2+]C[C@H](C)C1 49661564 572792504 /nfs/dbraw/zinc/79/25/04/572792504.db2.gz NRDXSRWLJHXVHH-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CC[N@H+](CC2CCCC2)CC[NH2+]1 49661947 572793004 /nfs/dbraw/zinc/79/30/04/572793004.db2.gz OGGKPRLTRSWZNN-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CCC1(CC)C[NH+]([C@@H](C)C[NH2+]C)C1 308131627 572792604 /nfs/dbraw/zinc/79/26/04/572792604.db2.gz JMYBFQVSYCOKIS-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49661368 572792636 /nfs/dbraw/zinc/79/26/36/572792636.db2.gz ZCGGWUZRTUJFGC-VHSXEESVSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 49661368 572792639 /nfs/dbraw/zinc/79/26/39/572792639.db2.gz ZCGGWUZRTUJFGC-VHSXEESVSA-N 2 2 170.300 1.326 10 0 ADAELP CCC1(CC)C[NH+]([C@H](C)C[NH2+]C)C1 308131628 572792656 /nfs/dbraw/zinc/79/26/56/572792656.db2.gz JMYBFQVSYCOKIS-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH2+][C@@H](C)CC1 49660909 572792682 /nfs/dbraw/zinc/79/26/82/572792682.db2.gz HYZUSEGOQCLWCZ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@H+]1CC[NH2+][C@@H](C)CC1 49660909 572792688 /nfs/dbraw/zinc/79/26/88/572792688.db2.gz HYZUSEGOQCLWCZ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CC[N@H+](Cc2ccco2)CC[NH2+]1 49661363 572792712 /nfs/dbraw/zinc/79/27/12/572792712.db2.gz WEXCPMSMXKJESO-JTQLQIEISA-N 2 2 194.278 1.463 10 0 ADAELP C[C@H]1CC[N@@H+](Cc2ccco2)CC[NH2+]1 49661363 572792715 /nfs/dbraw/zinc/79/27/15/572792715.db2.gz WEXCPMSMXKJESO-JTQLQIEISA-N 2 2 194.278 1.463 10 0 ADAELP Cc1csc(C[NH2+][C@@H](C)[C@H](C)[NH3+])n1 308128381 572792861 /nfs/dbraw/zinc/79/28/61/572792861.db2.gz GEVCKKXXZJORIG-YUMQZZPRSA-N 2 2 199.323 1.277 10 0 ADAELP CC[C@@](C)([C@@H]([NH3+])C1CC1)[NH+]1CCCC1 85749000 572792908 /nfs/dbraw/zinc/79/29/08/572792908.db2.gz JOHDROXAQFOEJH-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP CCC(C)(C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 49661566 572792988 /nfs/dbraw/zinc/79/29/88/572792988.db2.gz NRDXSRWLJHXVHH-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CCC(C)(C)[N@H+]1CC[NH2+]C[C@@H](C)C1 49661566 572792990 /nfs/dbraw/zinc/79/29/90/572792990.db2.gz NRDXSRWLJHXVHH-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+]C[C@@H](C)C1 49661522 572793095 /nfs/dbraw/zinc/79/30/95/572793095.db2.gz SOMGZTWOISRWON-SNVBAGLBSA-N 2 2 170.300 1.184 10 0 ADAELP CC(C)C[N@H+]1CC[NH2+]C[C@@H](C)C1 49661522 572793096 /nfs/dbraw/zinc/79/30/96/572793096.db2.gz SOMGZTWOISRWON-SNVBAGLBSA-N 2 2 170.300 1.184 10 0 ADAELP CC[C@@H]1CC[N@@H+](C(C)(C)C)CC[NH2+]1 49660770 572793113 /nfs/dbraw/zinc/79/31/13/572793113.db2.gz UBMMNAHDNZBALL-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+](C(C)(C)C)CC[NH2+]1 49660770 572793116 /nfs/dbraw/zinc/79/31/16/572793116.db2.gz UBMMNAHDNZBALL-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H](C)C2CC2)CC[NH2+]1 49661998 572793264 /nfs/dbraw/zinc/79/32/64/572793264.db2.gz JDFYHHUWUXLINY-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)CC[NH2+]1 49661998 572793270 /nfs/dbraw/zinc/79/32/70/572793270.db2.gz JDFYHHUWUXLINY-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](CC2CCCC2)C1 49661944 572793285 /nfs/dbraw/zinc/79/32/85/572793285.db2.gz VHIOKBNPTVMKKD-NSHDSACASA-N 2 2 196.338 1.718 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](CC2CCCC2)C1 49661944 572793288 /nfs/dbraw/zinc/79/32/88/572793288.db2.gz VHIOKBNPTVMKKD-NSHDSACASA-N 2 2 196.338 1.718 10 0 ADAELP CCCC[N@@H+]1CC[NH2+][C@@H](C)CC1 49660895 572793382 /nfs/dbraw/zinc/79/33/82/572793382.db2.gz GDMNYQJTKVPCHH-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCCC[N@H+]1CC[NH2+][C@@H](C)CC1 49660895 572793386 /nfs/dbraw/zinc/79/33/86/572793386.db2.gz GDMNYQJTKVPCHH-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP C[C@@H]1CC[N@@H+](C2CCCC2)CC[NH2+]1 49661537 572793410 /nfs/dbraw/zinc/79/34/10/572793410.db2.gz LTDKGFYTEFZSQI-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@H+](C2CCCC2)CC[NH2+]1 49661537 572793411 /nfs/dbraw/zinc/79/34/11/572793411.db2.gz LTDKGFYTEFZSQI-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@H+](CC2CC2)CC[NH2+]1 49660768 572793499 /nfs/dbraw/zinc/79/34/99/572793499.db2.gz WFTIJXFASZXRJZ-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[N@@H+](CC2CC2)CC[NH2+]1 49660768 572793503 /nfs/dbraw/zinc/79/35/03/572793503.db2.gz WFTIJXFASZXRJZ-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[N@H+](CC2CC2)CC[NH2+]1 49660766 572793578 /nfs/dbraw/zinc/79/35/78/572793578.db2.gz WFTIJXFASZXRJZ-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[N@@H+](CC2CC2)CC[NH2+]1 49660766 572793586 /nfs/dbraw/zinc/79/35/86/572793586.db2.gz WFTIJXFASZXRJZ-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP CCC(CC)[N@@H+]1CC[NH2+]C[C@H](C)C1 49661544 572793747 /nfs/dbraw/zinc/79/37/47/572793747.db2.gz UEKUWJYWPPBZGK-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH2+][C@H](C)CC1 49660907 572793654 /nfs/dbraw/zinc/79/36/54/572793654.db2.gz HYZUSEGOQCLWCZ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@H+]1CC[NH2+][C@H](C)CC1 49660907 572793659 /nfs/dbraw/zinc/79/36/59/572793659.db2.gz HYZUSEGOQCLWCZ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCC(CC)[N@H+]1CC[NH2+]C[C@H](C)C1 49661544 572793750 /nfs/dbraw/zinc/79/37/50/572793750.db2.gz UEKUWJYWPPBZGK-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C(C)C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49662414 572794100 /nfs/dbraw/zinc/79/41/00/572794100.db2.gz GORVEWSZSYRNGO-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C(C)C)[N@H+]1CC[NH2+]C[C@H](C)C1 49662414 572794102 /nfs/dbraw/zinc/79/41/02/572794102.db2.gz GORVEWSZSYRNGO-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49660714 572794120 /nfs/dbraw/zinc/79/41/20/572794120.db2.gz JBZPSYQRUAMKMM-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49660714 572794124 /nfs/dbraw/zinc/79/41/24/572794124.db2.gz JBZPSYQRUAMKMM-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C2CCCCC2)C1 49661576 572794133 /nfs/dbraw/zinc/79/41/33/572794133.db2.gz VSUHSJAXGFURAR-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](C2CCCCC2)C1 49661576 572794138 /nfs/dbraw/zinc/79/41/38/572794138.db2.gz VSUHSJAXGFURAR-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CC[N@@H+](C(C)(C)C)CC[NH2+]1 49660779 572794166 /nfs/dbraw/zinc/79/41/66/572794166.db2.gz PGKZXMWADOJTHF-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]1CC[N@H+](C(C)(C)C)CC[NH2+]1 49660779 572794172 /nfs/dbraw/zinc/79/41/72/572794172.db2.gz PGKZXMWADOJTHF-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CCC(CC)[N@@H+]1CC[NH2+][C@H](C)CC1 49661549 572794281 /nfs/dbraw/zinc/79/42/81/572794281.db2.gz DOSOENBPTGYUTC-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+]1CC[NH2+][C@H](C)CC1 49661549 572794284 /nfs/dbraw/zinc/79/42/84/572794284.db2.gz DOSOENBPTGYUTC-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](Cc2ccco2)C1 49661359 572794312 /nfs/dbraw/zinc/79/43/12/572794312.db2.gz LZIUPQQZEVNUPL-JTQLQIEISA-N 2 2 194.278 1.321 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccco2)C1 49661359 572794316 /nfs/dbraw/zinc/79/43/16/572794316.db2.gz LZIUPQQZEVNUPL-JTQLQIEISA-N 2 2 194.278 1.321 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49661371 572794374 /nfs/dbraw/zinc/79/43/74/572794374.db2.gz SGINDUQKMTXHAT-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49661371 572794381 /nfs/dbraw/zinc/79/43/81/572794381.db2.gz SGINDUQKMTXHAT-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49661373 572794400 /nfs/dbraw/zinc/79/44/00/572794400.db2.gz SGINDUQKMTXHAT-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49661373 572794407 /nfs/dbraw/zinc/79/44/07/572794407.db2.gz SGINDUQKMTXHAT-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@](C)([C@@H]([NH3+])C1CC1)[NH+]1CCCC1 85749003 572794414 /nfs/dbraw/zinc/79/44/14/572794414.db2.gz JOHDROXAQFOEJH-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 85748827 572794491 /nfs/dbraw/zinc/79/44/91/572794491.db2.gz UVHCOZFLSYYLAV-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH2+]C[C@@H](C)C1 49660903 572794592 /nfs/dbraw/zinc/79/45/92/572794592.db2.gz NIBGQRNKFSEGER-LLVKDONJSA-N 2 2 184.327 1.574 10 0 ADAELP CC(C)CC[N@H+]1CC[NH2+]C[C@@H](C)C1 49660903 572794596 /nfs/dbraw/zinc/79/45/96/572794596.db2.gz NIBGQRNKFSEGER-LLVKDONJSA-N 2 2 184.327 1.574 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C2CCCCC2)C1 49661575 572794693 /nfs/dbraw/zinc/79/46/93/572794693.db2.gz VSUHSJAXGFURAR-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C2CCCCC2)C1 49661575 572794696 /nfs/dbraw/zinc/79/46/96/572794696.db2.gz VSUHSJAXGFURAR-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]([NH3+])C(CC)(CC)[NH+](C)C 85750551 572794738 /nfs/dbraw/zinc/79/47/38/572794738.db2.gz MWRCBOSKDQHDKF-VIFPVBQESA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@](C)([C@H]([NH3+])C1CC1)[NH+]1CCCC1 85748999 572794779 /nfs/dbraw/zinc/79/47/79/572794779.db2.gz JOHDROXAQFOEJH-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](CC2CCC2)C1 49661882 572794871 /nfs/dbraw/zinc/79/48/71/572794871.db2.gz FQQZLZVPOFITJC-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](CC2CCC2)C1 49661882 572794876 /nfs/dbraw/zinc/79/48/76/572794876.db2.gz FQQZLZVPOFITJC-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH2+]C[C@H](C)C1 49660905 572795024 /nfs/dbraw/zinc/79/50/24/572795024.db2.gz NIBGQRNKFSEGER-NSHDSACASA-N 2 2 184.327 1.574 10 0 ADAELP CC(C)CC[N@H+]1CC[NH2+]C[C@H](C)C1 49660905 572795026 /nfs/dbraw/zinc/79/50/26/572795026.db2.gz NIBGQRNKFSEGER-NSHDSACASA-N 2 2 184.327 1.574 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](CC2CCCC2)C1 49661943 572795035 /nfs/dbraw/zinc/79/50/35/572795035.db2.gz VHIOKBNPTVMKKD-LLVKDONJSA-N 2 2 196.338 1.718 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](CC2CCCC2)C1 49661943 572795038 /nfs/dbraw/zinc/79/50/38/572795038.db2.gz VHIOKBNPTVMKKD-LLVKDONJSA-N 2 2 196.338 1.718 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](CC(C)(C)C)C1 49662329 572795098 /nfs/dbraw/zinc/79/50/98/572795098.db2.gz QXQSSHWWYWUQOH-SNVBAGLBSA-N 2 2 184.327 1.574 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](CC(C)(C)C)C1 49662329 572795100 /nfs/dbraw/zinc/79/51/00/572795100.db2.gz QXQSSHWWYWUQOH-SNVBAGLBSA-N 2 2 184.327 1.574 10 0 ADAELP CC[C@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 85748829 572795125 /nfs/dbraw/zinc/79/51/25/572795125.db2.gz UVHCOZFLSYYLAV-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@H]1CC[N@@H+](C2CCCC2)CC[NH2+]1 49661538 572795489 /nfs/dbraw/zinc/79/54/89/572795489.db2.gz LTDKGFYTEFZSQI-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@H+](C2CCCC2)CC[NH2+]1 49661538 572795493 /nfs/dbraw/zinc/79/54/93/572795493.db2.gz LTDKGFYTEFZSQI-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C/C=C\C[NH2+]CCn1cc[nH+]c1 307936342 572795514 /nfs/dbraw/zinc/79/55/14/572795514.db2.gz GKFFHRGKMPMMKA-IHWYPQMZSA-N 2 2 165.240 1.049 10 0 ADAELP CC[C@H]1CC[N@@H+](C(C)(C)C)CC[NH2+]1 49660771 572795525 /nfs/dbraw/zinc/79/55/25/572795525.db2.gz UBMMNAHDNZBALL-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1CC[N@H+](C(C)(C)C)CC[NH2+]1 49660771 572795527 /nfs/dbraw/zinc/79/55/27/572795527.db2.gz UBMMNAHDNZBALL-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]([NH3+])C(CC)(CC)[NH+](C)C 85750552 572795728 /nfs/dbraw/zinc/79/57/28/572795728.db2.gz MWRCBOSKDQHDKF-SECBINFHSA-N 2 2 172.316 1.844 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](CC2CCC2)C1 49661884 572795811 /nfs/dbraw/zinc/79/58/11/572795811.db2.gz FQQZLZVPOFITJC-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](CC2CCC2)C1 49661884 572795815 /nfs/dbraw/zinc/79/58/15/572795815.db2.gz FQQZLZVPOFITJC-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP CCC(CC)[N@@H+]1CC[NH2+][C@@H](C)CC1 49661547 572795903 /nfs/dbraw/zinc/79/59/03/572795903.db2.gz DOSOENBPTGYUTC-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+]1CC[NH2+][C@@H](C)CC1 49661547 572795906 /nfs/dbraw/zinc/79/59/06/572795906.db2.gz DOSOENBPTGYUTC-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C2CCCC2)C1 49661532 572795947 /nfs/dbraw/zinc/79/59/47/572795947.db2.gz GEFPBYXHMVYTKT-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C2CCCC2)C1 49661532 572795952 /nfs/dbraw/zinc/79/59/52/572795952.db2.gz GEFPBYXHMVYTKT-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 49660712 572796136 /nfs/dbraw/zinc/79/61/36/572796136.db2.gz JBZPSYQRUAMKMM-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[NH2+][C@H](C)CC1 49660712 572796140 /nfs/dbraw/zinc/79/61/40/572796140.db2.gz JBZPSYQRUAMKMM-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CC[N@H+](CC2CCCC2)CC[NH2+]1 49661945 572796279 /nfs/dbraw/zinc/79/62/79/572796279.db2.gz OGGKPRLTRSWZNN-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[N@@H+](CC2CCCC2)CC[NH2+]1 49661945 572796283 /nfs/dbraw/zinc/79/62/83/572796283.db2.gz OGGKPRLTRSWZNN-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+][C@@H](C)CC1 49661528 572796296 /nfs/dbraw/zinc/79/62/96/572796296.db2.gz QAAYBCSENBKTOB-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CC[NH2+][C@@H](C)CC1 49661528 572796299 /nfs/dbraw/zinc/79/62/99/572796299.db2.gz QAAYBCSENBKTOB-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H]1CC[N@@H+]([C@@H](C)C2CC2)CC[NH2+]1 49661992 572796329 /nfs/dbraw/zinc/79/63/29/572796329.db2.gz FWQPVTYDWRROJZ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[N@H+]([C@@H](C)C2CC2)CC[NH2+]1 49661992 572796331 /nfs/dbraw/zinc/79/63/31/572796331.db2.gz FWQPVTYDWRROJZ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCCC[N@@H+]1CC[NH2+][C@H](C)CC1 49660897 572796379 /nfs/dbraw/zinc/79/63/79/572796379.db2.gz GDMNYQJTKVPCHH-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCCC[N@H+]1CC[NH2+][C@H](C)CC1 49660897 572796382 /nfs/dbraw/zinc/79/63/82/572796382.db2.gz GDMNYQJTKVPCHH-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC[C@H](C(C)C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49662416 572796458 /nfs/dbraw/zinc/79/64/58/572796458.db2.gz GORVEWSZSYRNGO-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C(C)C)[N@H+]1CC[NH2+]C[C@H](C)C1 49662416 572796461 /nfs/dbraw/zinc/79/64/61/572796461.db2.gz GORVEWSZSYRNGO-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP C1C[NH2+]CC[N@H+](C(C2CC2)C2CC2)C1 49660686 572796505 /nfs/dbraw/zinc/79/65/05/572796505.db2.gz ZNEWXTGQUJUABR-UHFFFAOYSA-N 2 2 194.322 1.470 10 0 ADAELP C1C[NH2+]CC[N@@H+](C(C2CC2)C2CC2)C1 49660686 572796508 /nfs/dbraw/zinc/79/65/08/572796508.db2.gz ZNEWXTGQUJUABR-UHFFFAOYSA-N 2 2 194.322 1.470 10 0 ADAELP CC(C)C[C@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49661954 572796593 /nfs/dbraw/zinc/79/65/93/572796593.db2.gz MXGKTOAVFWIKTM-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 49661954 572796599 /nfs/dbraw/zinc/79/65/99/572796599.db2.gz MXGKTOAVFWIKTM-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49662387 572796625 /nfs/dbraw/zinc/79/66/25/572796625.db2.gz BLYGHJHKQUCNSB-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 49662387 572796630 /nfs/dbraw/zinc/79/66/30/572796630.db2.gz BLYGHJHKQUCNSB-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@@H](C)C2CC2)C1 49661995 572796643 /nfs/dbraw/zinc/79/66/43/572796643.db2.gz KYMJCGLCVCZEHH-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@@H](C)C2CC2)C1 49661995 572796646 /nfs/dbraw/zinc/79/66/46/572796646.db2.gz KYMJCGLCVCZEHH-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+]C[C@H](C)C1 49661524 572796660 /nfs/dbraw/zinc/79/66/60/572796660.db2.gz SOMGZTWOISRWON-JTQLQIEISA-N 2 2 170.300 1.184 10 0 ADAELP CC(C)C[N@H+]1CC[NH2+]C[C@H](C)C1 49661524 572796664 /nfs/dbraw/zinc/79/66/64/572796664.db2.gz SOMGZTWOISRWON-JTQLQIEISA-N 2 2 170.300 1.184 10 0 ADAELP CC[C@@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 85748831 572796760 /nfs/dbraw/zinc/79/67/60/572796760.db2.gz UVHCOZFLSYYLAV-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]1CC[N@@H+](CC2CCC2)CC[NH2+]1 49661879 572796957 /nfs/dbraw/zinc/79/69/57/572796957.db2.gz XWWGARFSWZODDZ-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[N@H+](CC(C)(C)C)CC[NH2+]1 49662333 572796853 /nfs/dbraw/zinc/79/68/53/572796853.db2.gz ZOEHJGKCXZUZBQ-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1CC[N@@H+](CC(C)(C)C)CC[NH2+]1 49662333 572796873 /nfs/dbraw/zinc/79/68/73/572796873.db2.gz ZOEHJGKCXZUZBQ-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@@H](C)C2CC2)CC[NH2+]1 49661990 572796913 /nfs/dbraw/zinc/79/69/13/572796913.db2.gz FWQPVTYDWRROJZ-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@@H](C)C2CC2)CC[NH2+]1 49661990 572796917 /nfs/dbraw/zinc/79/69/17/572796917.db2.gz FWQPVTYDWRROJZ-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+](CC2CCC2)CC[NH2+]1 49661879 572796953 /nfs/dbraw/zinc/79/69/53/572796953.db2.gz XWWGARFSWZODDZ-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC(C)(C)[N@@H+]1CCC[NH2+]CC1 49660584 572796982 /nfs/dbraw/zinc/79/69/82/572796982.db2.gz HBFLOOYTGAUPRP-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CCC(C)(C)[N@H+]1CCC[NH2+]CC1 49660584 572796987 /nfs/dbraw/zinc/79/69/87/572796987.db2.gz HBFLOOYTGAUPRP-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP C[C@H]1CC[N@H+](CC(C)(C)C)CC[NH2+]1 49662335 572797019 /nfs/dbraw/zinc/79/70/19/572797019.db2.gz ZOEHJGKCXZUZBQ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CC[N@@H+](CC(C)(C)C)CC[NH2+]1 49662335 572797023 /nfs/dbraw/zinc/79/70/23/572797023.db2.gz ZOEHJGKCXZUZBQ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[N@@H+]1CC[NH2+]C[C@H](C)C1 49660892 572797048 /nfs/dbraw/zinc/79/70/48/572797048.db2.gz SIVFRKQUJXODPQ-JTQLQIEISA-N 2 2 170.300 1.328 10 0 ADAELP CCCC[N@H+]1CC[NH2+]C[C@H](C)C1 49660892 572797050 /nfs/dbraw/zinc/79/70/50/572797050.db2.gz SIVFRKQUJXODPQ-JTQLQIEISA-N 2 2 170.300 1.328 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C(C)(C)C)C1 49660775 572797087 /nfs/dbraw/zinc/79/70/87/572797087.db2.gz QZDWZRXIDIIIFN-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](C(C)(C)C)C1 49660775 572797090 /nfs/dbraw/zinc/79/70/90/572797090.db2.gz QZDWZRXIDIIIFN-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[C@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 49661952 572797152 /nfs/dbraw/zinc/79/71/52/572797152.db2.gz MXGKTOAVFWIKTM-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[C@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 49661952 572797159 /nfs/dbraw/zinc/79/71/59/572797159.db2.gz MXGKTOAVFWIKTM-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@](C)([C@H]([NH3+])C1CC1)[NH+]1CCCC1 85748996 572797221 /nfs/dbraw/zinc/79/72/21/572797221.db2.gz JOHDROXAQFOEJH-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP CCC(CC)([C@H]([NH3+])C1CC1)[NH+](C)C 85750717 572797288 /nfs/dbraw/zinc/79/72/88/572797288.db2.gz YSHNFVZWVNFBSU-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[N@H+](Cc2ccco2)CC[NH2+]1 49661361 572797401 /nfs/dbraw/zinc/79/74/01/572797401.db2.gz WEXCPMSMXKJESO-SNVBAGLBSA-N 2 2 194.278 1.463 10 0 ADAELP C[C@@H]1CC[N@@H+](Cc2ccco2)CC[NH2+]1 49661361 572797406 /nfs/dbraw/zinc/79/74/06/572797406.db2.gz WEXCPMSMXKJESO-SNVBAGLBSA-N 2 2 194.278 1.463 10 0 ADAELP C[C@@H]1CC[N@H+](CC2CCC2)CC[NH2+]1 49661886 572797432 /nfs/dbraw/zinc/79/74/32/572797432.db2.gz WNQRIJHOCXLHHT-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CC[N@@H+](CC2CCC2)CC[NH2+]1 49661886 572797438 /nfs/dbraw/zinc/79/74/38/572797438.db2.gz WNQRIJHOCXLHHT-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+][C@H](C)CC1 49661526 572797605 /nfs/dbraw/zinc/79/76/05/572797605.db2.gz QAAYBCSENBKTOB-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CC[NH2+][C@H](C)CC1 49661526 572797609 /nfs/dbraw/zinc/79/76/09/572797609.db2.gz QAAYBCSENBKTOB-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C2CCCC2)C1 49661534 572797657 /nfs/dbraw/zinc/79/76/57/572797657.db2.gz GEFPBYXHMVYTKT-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](C2CCCC2)C1 49661534 572797660 /nfs/dbraw/zinc/79/76/60/572797660.db2.gz GEFPBYXHMVYTKT-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CCCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 49660894 572797687 /nfs/dbraw/zinc/79/76/87/572797687.db2.gz SIVFRKQUJXODPQ-SNVBAGLBSA-N 2 2 170.300 1.328 10 0 ADAELP CCCC[N@H+]1CC[NH2+]C[C@@H](C)C1 49660894 572797690 /nfs/dbraw/zinc/79/76/90/572797690.db2.gz SIVFRKQUJXODPQ-SNVBAGLBSA-N 2 2 170.300 1.328 10 0 ADAELP C/C=C\C[NH2+]C[C@@H]1CCC[N@@H+]1C 307940684 572798295 /nfs/dbraw/zinc/79/82/95/572798295.db2.gz MZVXCMKHGVGJTO-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[NH2+]C[C@@H]1CCC[N@H+]1C 307940684 572798297 /nfs/dbraw/zinc/79/82/97/572798297.db2.gz MZVXCMKHGVGJTO-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[NH2+]C[C@H]1CCC[N@@H+]1C 307940683 572798366 /nfs/dbraw/zinc/79/83/66/572798366.db2.gz MZVXCMKHGVGJTO-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[NH2+]C[C@H]1CCC[N@H+]1C 307940683 572798374 /nfs/dbraw/zinc/79/83/74/572798374.db2.gz MZVXCMKHGVGJTO-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP Cc1ccc(C)c([C@@H](C[NH3+])[NH+](C)C)c1 49670373 572798906 /nfs/dbraw/zinc/79/89/06/572798906.db2.gz LHAXALPOBPIJBP-GFCCVEGCSA-N 2 2 192.306 1.865 10 0 ADAELP CCC(CC)([C@@H](C)[NH3+])[NH+]1CCCC1 85751347 572799367 /nfs/dbraw/zinc/79/93/67/572799367.db2.gz LWFWPSVFCMGNMJ-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CC[NH+](CC)C1([C@@H](C)[NH3+])CCCC1 85752298 572800080 /nfs/dbraw/zinc/80/00/80/572800080.db2.gz NQEXIAKTBLUHCV-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP FCCCC[NH2+]CC[NH+]1CCCC1 308132499 572801226 /nfs/dbraw/zinc/80/12/26/572801226.db2.gz FYCWJXDGHVIZNT-UHFFFAOYSA-N 2 2 188.290 1.422 10 0 ADAELP CCC(CC)([C@H](C)[NH3+])[NH+]1CCCC1 85751349 572802600 /nfs/dbraw/zinc/80/26/00/572802600.db2.gz LWFWPSVFCMGNMJ-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP C[NH+](C)C1([C@@H]([NH3+])CC2CC2)CCCC1 85751884 572800629 /nfs/dbraw/zinc/80/06/29/572800629.db2.gz UXQCSOZKVXRROK-NSHDSACASA-N 2 2 196.338 1.988 10 0 ADAELP Cc1cc([C@@H](C[NH3+])[NH+](C)C)c(C)s1 49687255 572800807 /nfs/dbraw/zinc/80/08/07/572800807.db2.gz BICAYJRXYBGQFQ-SNVBAGLBSA-N 2 2 198.335 1.926 10 0 ADAELP Cc1ccc(C)c([C@H](C[NH3+])[NH+](C)C)c1 49670374 572800967 /nfs/dbraw/zinc/80/09/67/572800967.db2.gz LHAXALPOBPIJBP-LBPRGKRZSA-N 2 2 192.306 1.865 10 0 ADAELP CC[NH+](CC)C1([C@H](C)[NH3+])CCCC1 85752301 572802992 /nfs/dbraw/zinc/80/29/92/572802992.db2.gz NQEXIAKTBLUHCV-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP C[C@@H]1CC[N@@H+](C(C)(C)C2CC2)CC[NH2+]1 235352436 572803008 /nfs/dbraw/zinc/80/30/08/572803008.db2.gz DMTRSMMAXQEYCP-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[N@H+](C(C)(C)C2CC2)CC[NH2+]1 235352436 572803011 /nfs/dbraw/zinc/80/30/11/572803011.db2.gz DMTRSMMAXQEYCP-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH+](C)C1([C@H]([NH3+])CC2CC2)CCCC1 85751882 572803127 /nfs/dbraw/zinc/80/31/27/572803127.db2.gz UXQCSOZKVXRROK-LLVKDONJSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1cc([C@H](C[NH3+])[NH+](C)C)c(C)s1 49687256 572803107 /nfs/dbraw/zinc/80/31/07/572803107.db2.gz BICAYJRXYBGQFQ-JTQLQIEISA-N 2 2 198.335 1.926 10 0 ADAELP C[C@@H]1C[N@H+](CC2(C)CCC2)CCC[NH2+]1 235352348 572803594 /nfs/dbraw/zinc/80/35/94/572803594.db2.gz XOSYZMQBQIRFKO-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[N@@H+](CC2(C)CCC2)CCC[NH2+]1 235352348 572803597 /nfs/dbraw/zinc/80/35/97/572803597.db2.gz XOSYZMQBQIRFKO-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[NH2+][C@@H](CC1CCC1)C[NH+](C)C 85799813 572803903 /nfs/dbraw/zinc/80/39/03/572803903.db2.gz HSRDQBNDDMFUPZ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH2+][C@H](CC1CCC1)C[NH+](C)C 85799815 572803988 /nfs/dbraw/zinc/80/39/88/572803988.db2.gz HSRDQBNDDMFUPZ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCC([NH3+])(CC)C[NH2+]CCF 307933341 572804047 /nfs/dbraw/zinc/80/40/47/572804047.db2.gz WIFKNFGKKAFHER-UHFFFAOYSA-N 2 2 162.252 1.063 10 0 ADAELP CC[NH2+]C[C@@H](C(C)C)[NH+]1CCC1 308132669 572804284 /nfs/dbraw/zinc/80/42/84/572804284.db2.gz YJHVWPGMJGMIAO-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH2+]C[C@H](C(C)C)[NH+]1CCC1 308132670 572804320 /nfs/dbraw/zinc/80/43/20/572804320.db2.gz YJHVWPGMJGMIAO-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH2+][C@H](C[NH+](C)C)C1CCCC1 85799695 572804355 /nfs/dbraw/zinc/80/43/55/572804355.db2.gz ALMUKHKKMYEBCT-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH2+][C@@H](C[NH+](C)C)C1CCCC1 85799693 572804538 /nfs/dbraw/zinc/80/45/38/572804538.db2.gz ALMUKHKKMYEBCT-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CO[NH2+][C@H](C)CCC[NH3+] 308133291 572805039 /nfs/dbraw/zinc/80/50/39/572805039.db2.gz YQJWEPQKFYZHSA-SECBINFHSA-N 2 2 174.288 1.291 10 0 ADAELP [NH3+]CC1([NH2+]Cc2cccs2)CC1 236230146 572805456 /nfs/dbraw/zinc/80/54/56/572805456.db2.gz IIFKZAMMFOYLPW-UHFFFAOYSA-N 2 2 182.292 1.329 10 0 ADAELP CCC[NH2+][C@H](CC1CC1)C[NH+](C)C 85799982 572805475 /nfs/dbraw/zinc/80/54/75/572805475.db2.gz AWNLAYHZXXXFSD-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP [NH3+]CCCOCc1c[nH+]cn1C1CC1 236231178 572805761 /nfs/dbraw/zinc/80/57/61/572805761.db2.gz SPHONKNMZVZHOW-UHFFFAOYSA-N 2 2 195.266 1.083 10 0 ADAELP CC(C)CO[NH2+][C@@H](C)CCC[NH3+] 308133292 572806461 /nfs/dbraw/zinc/80/64/61/572806461.db2.gz YQJWEPQKFYZHSA-VIFPVBQESA-N 2 2 174.288 1.291 10 0 ADAELP C/C=C\C[N@H+](C)C[C@H]1CCC[NH2+]1 307941698 572806675 /nfs/dbraw/zinc/80/66/75/572806675.db2.gz ONKZYWRRPOQSCK-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[N@@H+](C)C[C@H]1CCC[NH2+]1 307941698 572806678 /nfs/dbraw/zinc/80/66/78/572806678.db2.gz ONKZYWRRPOQSCK-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[N@H+](C)C[C@@H]1CCC[NH2+]1 307941700 572807356 /nfs/dbraw/zinc/80/73/56/572807356.db2.gz ONKZYWRRPOQSCK-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[N@@H+](C)C[C@@H]1CCC[NH2+]1 307941700 572807360 /nfs/dbraw/zinc/80/73/60/572807360.db2.gz ONKZYWRRPOQSCK-XOULXFPDSA-N 2 2 168.284 1.246 10 0 ADAELP CCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C 307943381 572808401 /nfs/dbraw/zinc/80/84/01/572808401.db2.gz FLMHSGVRANPGJT-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C 307943381 572808404 /nfs/dbraw/zinc/80/84/04/572808404.db2.gz FLMHSGVRANPGJT-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@H]1CCCn2cc(CC[NH3+])[nH+]c21 49805593 572808960 /nfs/dbraw/zinc/80/89/60/572808960.db2.gz OBGMUUNFWATZFB-QMMMGPOBSA-N 2 2 179.267 1.282 10 0 ADAELP CCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C 307943380 572809761 /nfs/dbraw/zinc/80/97/61/572809761.db2.gz FLMHSGVRANPGJT-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C 307943380 572809764 /nfs/dbraw/zinc/80/97/64/572809764.db2.gz FLMHSGVRANPGJT-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH2+]C[C@H](C)Cc1cn(C)c[nH+]1 308137404 572809935 /nfs/dbraw/zinc/80/99/35/572809935.db2.gz JDPAECDQNBHYJE-SECBINFHSA-N 2 2 181.283 1.208 10 0 ADAELP C[C@H]1CCCc2[nH+]c(CC[NH3+])cn21 49805597 572810335 /nfs/dbraw/zinc/81/03/35/572810335.db2.gz NDQKZEHNKATEQV-QMMMGPOBSA-N 2 2 179.267 1.282 10 0 ADAELP CCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C 307943383 572810704 /nfs/dbraw/zinc/81/07/04/572810704.db2.gz FLMHSGVRANPGJT-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C 307943383 572810707 /nfs/dbraw/zinc/81/07/07/572810707.db2.gz FLMHSGVRANPGJT-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C 307943382 572810858 /nfs/dbraw/zinc/81/08/58/572810858.db2.gz FLMHSGVRANPGJT-VHSXEESVSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C 307943382 572810860 /nfs/dbraw/zinc/81/08/60/572810860.db2.gz FLMHSGVRANPGJT-VHSXEESVSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]1CCCn2cc(CC[NH3+])[nH+]c21 49805592 572810923 /nfs/dbraw/zinc/81/09/23/572810923.db2.gz OBGMUUNFWATZFB-MRVPVSSYSA-N 2 2 179.267 1.282 10 0 ADAELP C[C@@H]1CCCc2[nH+]c(CC[NH3+])cn21 49805596 572811526 /nfs/dbraw/zinc/81/15/26/572811526.db2.gz NDQKZEHNKATEQV-MRVPVSSYSA-N 2 2 179.267 1.282 10 0 ADAELP CCn1c[nH+]cc1/C=C\[C@@H](C)[NH3+] 307944076 572811934 /nfs/dbraw/zinc/81/19/34/572811934.db2.gz VEUBNIYEYBFJIB-PULIVWKDSA-N 2 2 165.240 1.263 10 0 ADAELP CCn1c[nH+]cc1/C=C\[C@H](C)[NH3+] 307944075 572813052 /nfs/dbraw/zinc/81/30/52/572813052.db2.gz VEUBNIYEYBFJIB-LGYSABEFSA-N 2 2 165.240 1.263 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)Cc1ccsc1 308134658 572814645 /nfs/dbraw/zinc/81/46/45/572814645.db2.gz NBCDQXIARMNKIT-BDAKNGLRSA-N 2 2 198.335 1.916 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)Cc1ccsc1 308134658 572814648 /nfs/dbraw/zinc/81/46/48/572814648.db2.gz NBCDQXIARMNKIT-BDAKNGLRSA-N 2 2 198.335 1.916 10 0 ADAELP C[NH+](C)C(C)(C)C[NH2+]CCCCF 308134168 572814874 /nfs/dbraw/zinc/81/48/74/572814874.db2.gz HCLACVGWJNNTFR-UHFFFAOYSA-N 2 2 190.306 1.666 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])[C@@H](Cc2cccs2)C1 75123314 572814893 /nfs/dbraw/zinc/81/48/93/572814893.db2.gz DVRZIPMEZGOTRA-WCBMZHEXSA-N 2 2 196.319 1.180 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])[C@@H](Cc2cccs2)C1 75123314 572814898 /nfs/dbraw/zinc/81/48/98/572814898.db2.gz DVRZIPMEZGOTRA-WCBMZHEXSA-N 2 2 196.319 1.180 10 0 ADAELP CCCC[C@@H](C[NH+](C)C)[NH2+]CC 85799270 572817090 /nfs/dbraw/zinc/81/70/90/572817090.db2.gz HMVUPCDDZSXDPT-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP C[NH2+]C[C@H](C)C[N@H+](C)C/C=C\Cl 307946627 572815209 /nfs/dbraw/zinc/81/52/09/572815209.db2.gz KOXIWHRWGYPXQQ-WBSSQXGSSA-N 2 2 190.718 1.526 10 0 ADAELP C[NH2+]C[C@H](C)C[N@@H+](C)C/C=C\Cl 307946627 572815213 /nfs/dbraw/zinc/81/52/13/572815213.db2.gz KOXIWHRWGYPXQQ-WBSSQXGSSA-N 2 2 190.718 1.526 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccsc1 308134659 572815531 /nfs/dbraw/zinc/81/55/31/572815531.db2.gz NBCDQXIARMNKIT-DTWKUNHWSA-N 2 2 198.335 1.916 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccsc1 308134659 572815534 /nfs/dbraw/zinc/81/55/34/572815534.db2.gz NBCDQXIARMNKIT-DTWKUNHWSA-N 2 2 198.335 1.916 10 0 ADAELP CC[NH2+][C@@H](CC1CC1)C[NH+](C)C 85799555 572815668 /nfs/dbraw/zinc/81/56/68/572815668.db2.gz LZQZLYVJJCHMKM-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+][C@H](CC1CCCC1)C[NH+](C)C 85798636 572815953 /nfs/dbraw/zinc/81/59/53/572815953.db2.gz JYZHEGDYIFSWMA-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH2+][C@@H](C[C@H](C)CC)C[NH+](C)C 85799284 572815992 /nfs/dbraw/zinc/81/59/92/572815992.db2.gz VVTFDEVYXDGJRH-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])[C@H](Cc2cccs2)C1 75123317 572816053 /nfs/dbraw/zinc/81/60/53/572816053.db2.gz DVRZIPMEZGOTRA-PSASIEDQSA-N 2 2 196.319 1.180 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])[C@H](Cc2cccs2)C1 75123317 572816057 /nfs/dbraw/zinc/81/60/57/572816057.db2.gz DVRZIPMEZGOTRA-PSASIEDQSA-N 2 2 196.319 1.180 10 0 ADAELP CC[NH2+][C@@H](C[C@@H](C)CC)C[NH+](C)C 85799287 572816072 /nfs/dbraw/zinc/81/60/72/572816072.db2.gz VVTFDEVYXDGJRH-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH2+][C@H](CCC(F)(F)F)C[NH+](C)C 85799203 572816193 /nfs/dbraw/zinc/81/61/93/572816193.db2.gz VKIUIBIFDUULMT-SSDOTTSWSA-N 2 2 198.232 1.479 10 0 ADAELP CC[NH2+][C@H](C[C@H](C)CC)C[NH+](C)C 85799288 572816249 /nfs/dbraw/zinc/81/62/49/572816249.db2.gz VVTFDEVYXDGJRH-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH2+][C@H](Cc1cccs1)C[NH+](C)C 85798879 572816281 /nfs/dbraw/zinc/81/62/81/572816281.db2.gz RNYWGCIGYYXXQR-SECBINFHSA-N 2 2 198.335 1.440 10 0 ADAELP C[NH2+]C[C@@H](C)C[N@H+](C)C/C=C\Cl 307946628 572816290 /nfs/dbraw/zinc/81/62/90/572816290.db2.gz KOXIWHRWGYPXQQ-XRVBUDJMSA-N 2 2 190.718 1.526 10 0 ADAELP C[NH2+]C[C@@H](C)C[N@@H+](C)C/C=C\Cl 307946628 572816292 /nfs/dbraw/zinc/81/62/92/572816292.db2.gz KOXIWHRWGYPXQQ-XRVBUDJMSA-N 2 2 190.718 1.526 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)C1CCCC1 85799056 572816296 /nfs/dbraw/zinc/81/62/96/572816296.db2.gz ZLARGRHZXLMYNL-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+][C@@H](CCC(C)C)C[NH+](C)C 85798617 572816363 /nfs/dbraw/zinc/81/63/63/572816363.db2.gz QFCUECJSCNFINK-JTQLQIEISA-N 2 2 172.316 1.572 10 0 ADAELP C[NH+](C)C[C@H]([NH3+])Cc1cccc(F)c1 85798206 572816400 /nfs/dbraw/zinc/81/64/00/572816400.db2.gz IEVUWXXECSWRGQ-LLVKDONJSA-N 2 2 196.269 1.257 10 0 ADAELP C[NH2+][C@@H](C[NH+](C)C)C1CCCCC1 85798859 572816479 /nfs/dbraw/zinc/81/64/79/572816479.db2.gz XVMMLCHULQEFAT-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH2+][C@H](C[C@@H](C)CC)C[NH+](C)C 85799290 572816582 /nfs/dbraw/zinc/81/65/82/572816582.db2.gz VVTFDEVYXDGJRH-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH2+][C@H](CCC(C)C)C[NH+](C)C 85798618 572816738 /nfs/dbraw/zinc/81/67/38/572816738.db2.gz QFCUECJSCNFINK-SNVBAGLBSA-N 2 2 172.316 1.572 10 0 ADAELP CC[NH2+][C@@H](CCC1CC1)C[NH+](C)C 85799610 572816776 /nfs/dbraw/zinc/81/67/76/572816776.db2.gz WOAUQMBJNHYTCQ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)[C@@H]1CCC[C@@H](C)C1 85798719 572817100 /nfs/dbraw/zinc/81/71/00/572817100.db2.gz XVNLPHFJXUSRKT-IJLUTSLNSA-N 2 2 198.354 1.962 10 0 ADAELP CCCC[C@H](C[NH+](C)C)[NH2+]C 85798620 572816883 /nfs/dbraw/zinc/81/68/83/572816883.db2.gz ZUTODJUYKPRBNW-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP C[NH2+][C@@H](CCC(F)(F)F)C[NH+](C)C 85799201 572816995 /nfs/dbraw/zinc/81/69/95/572816995.db2.gz VKIUIBIFDUULMT-ZETCQYMHSA-N 2 2 198.232 1.479 10 0 ADAELP CCCCC[C@@H](C[NH+](C)C)[NH2+]C 85798855 572817026 /nfs/dbraw/zinc/81/70/26/572817026.db2.gz XVHJVSCUSOXHCL-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP C[NH+](C)C[C@@H]([NH3+])Cc1cccc(F)c1 85798209 572817246 /nfs/dbraw/zinc/81/72/46/572817246.db2.gz IEVUWXXECSWRGQ-NSHDSACASA-N 2 2 196.269 1.257 10 0 ADAELP C[NH2+][C@@H](CC1CCCC1)C[NH+](C)C 85798635 572817324 /nfs/dbraw/zinc/81/73/24/572817324.db2.gz JYZHEGDYIFSWMA-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@H](CC1CCC1)C[NH+](C)C 85799234 572817342 /nfs/dbraw/zinc/81/73/42/572817342.db2.gz NMRBBVFGDLCBGM-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[C@H](C)C[C@H](C[NH+](C)C)[NH2+]C 85798768 572817390 /nfs/dbraw/zinc/81/73/90/572817390.db2.gz VYDATQJBVYOBBC-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CCC[C@@H](C)C[C@H](C[NH+](C)C)[NH2+]C 85798766 572817434 /nfs/dbraw/zinc/81/74/34/572817434.db2.gz VYDATQJBVYOBBC-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@H](CCC(C)C)C[NH+](C)C 85799268 572817485 /nfs/dbraw/zinc/81/74/85/572817485.db2.gz FBVHGSILJXGSNJ-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@H](CC1CC1)C[NH+](C)C 85799558 572817504 /nfs/dbraw/zinc/81/75/04/572817504.db2.gz LZQZLYVJJCHMKM-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+][C@H](CCC(C)(C)C)C[NH+](C)C 85799008 572817771 /nfs/dbraw/zinc/81/77/71/572817771.db2.gz GRFLRLPKNLRCPW-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP C[C@@H](CCCC[NH3+])[NH2+]OC(C)(C)C 308135825 572817792 /nfs/dbraw/zinc/81/77/92/572817792.db2.gz ODPNTRQBTRZDIN-VIFPVBQESA-N 2 2 188.315 1.824 10 0 ADAELP CCn1c[nH+]c(/C(C)=C\CC[NH3+])c1 308135557 572817817 /nfs/dbraw/zinc/81/78/17/572817817.db2.gz IAEQCLPNDKEEKD-UITAMQMPSA-N 2 2 179.267 1.655 10 0 ADAELP CC[C@@H](C)C[C@@H](C[NH+](C)C)[NH2+]C 85798625 572817855 /nfs/dbraw/zinc/81/78/55/572817855.db2.gz GJGQBKJEWGSTRE-ZJUUUORDSA-N 2 2 172.316 1.572 10 0 ADAELP C[NH2+][C@H](Cc1ccsc1)C[NH+](C)C 85798900 572817878 /nfs/dbraw/zinc/81/78/78/572817878.db2.gz PBORIWHVUTVFJY-SNVBAGLBSA-N 2 2 198.335 1.440 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)[C@@H]1CCC[C@H](C)C1 85798722 572817970 /nfs/dbraw/zinc/81/79/70/572817970.db2.gz XVNLPHFJXUSRKT-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CCCCC[C@H](C[NH+](C)C)[NH2+]C 85798858 572818074 /nfs/dbraw/zinc/81/80/74/572818074.db2.gz XVHJVSCUSOXHCL-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CCCC[C@H](C[NH+](C)C)[NH2+]CC 85799272 572818091 /nfs/dbraw/zinc/81/80/91/572818091.db2.gz HMVUPCDDZSXDPT-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)C1CCCCC1 85798861 572818266 /nfs/dbraw/zinc/81/82/66/572818266.db2.gz XVMMLCHULQEFAT-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@@H](C[NH+](C)C)C1CCC(C)CC1 85799146 572818339 /nfs/dbraw/zinc/81/83/39/572818339.db2.gz IPLWWHLZZZHUPV-MCIGGMRASA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)C1CCC(C)CC1 85799142 572818394 /nfs/dbraw/zinc/81/83/94/572818394.db2.gz IPLWWHLZZZHUPV-HTAVTVPLSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[C@@H](C)C[C@@H](C[NH+](C)C)[NH2+]C 85798762 572818426 /nfs/dbraw/zinc/81/84/26/572818426.db2.gz VYDATQJBVYOBBC-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CCCC[C@@H](C[NH+](C)C)[NH2+]C 85798619 572818445 /nfs/dbraw/zinc/81/84/45/572818445.db2.gz ZUTODJUYKPRBNW-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CCn1c[nH+]c(/C(C)=C/CC[NH3+])c1 308135558 572818475 /nfs/dbraw/zinc/81/84/75/572818475.db2.gz IAEQCLPNDKEEKD-WEVVVXLNSA-N 2 2 179.267 1.655 10 0 ADAELP C[NH2+][C@@H](Cc1ccsc1)C[NH+](C)C 85798899 572818476 /nfs/dbraw/zinc/81/84/76/572818476.db2.gz PBORIWHVUTVFJY-JTQLQIEISA-N 2 2 198.335 1.440 10 0 ADAELP CCC[C@H](C)C[C@@H](C[NH+](C)C)[NH2+]C 85798764 572818483 /nfs/dbraw/zinc/81/84/83/572818483.db2.gz VYDATQJBVYOBBC-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)C[C@@H](C[NH+](C)C)[NH2+]C 85798626 572818550 /nfs/dbraw/zinc/81/85/50/572818550.db2.gz GJGQBKJEWGSTRE-UWVGGRQHSA-N 2 2 172.316 1.572 10 0 ADAELP C[NH+](C)C[C@H]([NH3+])Cc1ccsc1 85798218 572818610 /nfs/dbraw/zinc/81/86/10/572818610.db2.gz XPWFPYGSSOKVAF-SECBINFHSA-N 2 2 184.308 1.180 10 0 ADAELP C[C@H](CCCC[NH3+])[NH2+]OC(C)(C)C 308135822 572818786 /nfs/dbraw/zinc/81/87/86/572818786.db2.gz ODPNTRQBTRZDIN-SECBINFHSA-N 2 2 188.315 1.824 10 0 ADAELP CC[C@@H](C)C[C@H](C[NH+](C)C)[NH2+]C 85798627 572818879 /nfs/dbraw/zinc/81/88/79/572818879.db2.gz GJGQBKJEWGSTRE-NXEZZACHSA-N 2 2 172.316 1.572 10 0 ADAELP C[NH2+][C@@H](CCC1CC1)C[NH+](C)C 85798965 572818934 /nfs/dbraw/zinc/81/89/34/572818934.db2.gz CBYAIEHNZYZZSD-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH2+][C@H](CCC1CC1)C[NH+](C)C 85799612 572819254 /nfs/dbraw/zinc/81/92/54/572819254.db2.gz WOAUQMBJNHYTCQ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@@H](CC1CCC1)C[NH+](C)C 85799233 572819314 /nfs/dbraw/zinc/81/93/14/572819314.db2.gz NMRBBVFGDLCBGM-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)C[C@H](C[NH+](C)C)[NH2+]C 85798628 572819335 /nfs/dbraw/zinc/81/93/35/572819335.db2.gz GJGQBKJEWGSTRE-VHSXEESVSA-N 2 2 172.316 1.572 10 0 ADAELP C[NH2+][C@@H](Cc1cccs1)C[NH+](C)C 85798878 572819343 /nfs/dbraw/zinc/81/93/43/572819343.db2.gz RNYWGCIGYYXXQR-VIFPVBQESA-N 2 2 198.335 1.440 10 0 ADAELP C[NH2+][C@H](CCC1CC1)C[NH+](C)C 85798967 572819368 /nfs/dbraw/zinc/81/93/68/572819368.db2.gz CBYAIEHNZYZZSD-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)[C@H]1CCC[C@H](C)C1 85798717 572819433 /nfs/dbraw/zinc/81/94/33/572819433.db2.gz XVNLPHFJXUSRKT-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C[N@@H+]1CCC(C)(C)CC(=O)[C@H]1CC[NH3+] 75124720 572822576 /nfs/dbraw/zinc/82/25/76/572822576.db2.gz ZOHQATGWLGKYMP-SECBINFHSA-N 2 2 198.310 1.025 10 0 ADAELP C[N@H+]1CCC(C)(C)CC(=O)[C@H]1CC[NH3+] 75124720 572822579 /nfs/dbraw/zinc/82/25/79/572822579.db2.gz ZOHQATGWLGKYMP-SECBINFHSA-N 2 2 198.310 1.025 10 0 ADAELP C/C=C\C[N@@H+](CC)C[C@@H]1CCC[NH2+]1 308140723 572822834 /nfs/dbraw/zinc/82/28/34/572822834.db2.gz SPALILKXCAYNTF-MZBZXASESA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@H+](CC)C[C@@H]1CCC[NH2+]1 308140723 572822837 /nfs/dbraw/zinc/82/28/37/572822837.db2.gz SPALILKXCAYNTF-MZBZXASESA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@@H+](CC)C[C@H]1CCC[NH2+]1 308140724 572823300 /nfs/dbraw/zinc/82/33/00/572823300.db2.gz SPALILKXCAYNTF-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@H+](CC)C[C@H]1CCC[NH2+]1 308140724 572823304 /nfs/dbraw/zinc/82/33/04/572823304.db2.gz SPALILKXCAYNTF-USEMIUTHSA-N 2 2 182.311 1.636 10 0 ADAELP [NH3+]CCc1c[nH+]cn1-c1cccs1 75121128 572824374 /nfs/dbraw/zinc/82/43/74/572824374.db2.gz GIHFWSPQSQDSKB-UHFFFAOYSA-N 2 2 193.275 1.435 10 0 ADAELP Cc1csc2c[nH+]c(CCC[NH3+])n12 71478886 572824702 /nfs/dbraw/zinc/82/47/02/572824702.db2.gz GPXFYANFQHJPES-UHFFFAOYSA-N 2 2 195.291 1.596 10 0 ADAELP C/C=C/C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892926 572827713 /nfs/dbraw/zinc/82/77/13/572827713.db2.gz FVPPHCQRTNYSPS-NTYHVHHESA-N 2 2 180.295 1.246 10 0 ADAELP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC1 238575831 572825041 /nfs/dbraw/zinc/82/50/41/572825041.db2.gz MZVIRCFGWPLZCG-GFCCVEGCSA-N 2 2 190.290 1.262 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[N@H+](C)CC1CC1 308140821 572825530 /nfs/dbraw/zinc/82/55/30/572825530.db2.gz LBYMHGISNLYITG-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[N@@H+](C)CC1CC1 308140821 572825533 /nfs/dbraw/zinc/82/55/33/572825533.db2.gz LBYMHGISNLYITG-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1csc2c[nH+]c(CC[NH3+])n12 71478884 572826833 /nfs/dbraw/zinc/82/68/33/572826833.db2.gz DQTUJMZUWNZBJY-UHFFFAOYSA-N 2 2 181.264 1.205 10 0 ADAELP CCn1c[nH+]c(CC[C@H](C)[NH2+]C)c1 308141273 572827076 /nfs/dbraw/zinc/82/70/76/572827076.db2.gz LLGTWMCOBXUOEC-VIFPVBQESA-N 2 2 181.283 1.444 10 0 ADAELP CCn1c[nH+]c(CC[C@@H](C)[NH2+]C)c1 308141272 572827145 /nfs/dbraw/zinc/82/71/45/572827145.db2.gz LLGTWMCOBXUOEC-SECBINFHSA-N 2 2 181.283 1.444 10 0 ADAELP C/C=C/C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892926 572827710 /nfs/dbraw/zinc/82/77/10/572827710.db2.gz FVPPHCQRTNYSPS-NTYHVHHESA-N 2 2 180.295 1.246 10 0 ADAELP C/C=C/C[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892927 572828115 /nfs/dbraw/zinc/82/81/15/572828115.db2.gz FVPPHCQRTNYSPS-ZNRGBCAMSA-N 2 2 180.295 1.246 10 0 ADAELP C/C=C/C[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892927 572828119 /nfs/dbraw/zinc/82/81/19/572828119.db2.gz FVPPHCQRTNYSPS-ZNRGBCAMSA-N 2 2 180.295 1.246 10 0 ADAELP CC(C)C(C(C)C)[N@H+](C)C[C@@H](C)[NH3+] 308141675 572829189 /nfs/dbraw/zinc/82/91/89/572829189.db2.gz LMYDKMZKHGDPFK-SNVBAGLBSA-N 2 2 186.343 1.946 10 0 ADAELP CC(C)C(C(C)C)[N@@H+](C)C[C@@H](C)[NH3+] 308141675 572829192 /nfs/dbraw/zinc/82/91/92/572829192.db2.gz LMYDKMZKHGDPFK-SNVBAGLBSA-N 2 2 186.343 1.946 10 0 ADAELP [NH3+][C@H]1CCc2ccc(-n3cc[nH+]c3)cc21 238566103 572829358 /nfs/dbraw/zinc/82/93/58/572829358.db2.gz PQJCGHJRWNEJQB-LBPRGKRZSA-N 2 2 199.257 1.818 10 0 ADAELP CCC1(C[NH2+][C@H](C)C[NH+](C)C)CC1 308141663 572829525 /nfs/dbraw/zinc/82/95/25/572829525.db2.gz LMQURQVQFOZMCO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H](CCCC[NH3+])[N@H+](C)CC(F)F 308141532 572829611 /nfs/dbraw/zinc/82/96/11/572829611.db2.gz UEFCBYUVOZPFLC-MRVPVSSYSA-N 2 2 194.269 1.701 10 0 ADAELP C[C@H](CCCC[NH3+])[N@@H+](C)CC(F)F 308141532 572829615 /nfs/dbraw/zinc/82/96/15/572829615.db2.gz UEFCBYUVOZPFLC-MRVPVSSYSA-N 2 2 194.269 1.701 10 0 ADAELP CCC1(C[NH2+][C@@H](C)C[NH+](C)C)CC1 308141662 572830074 /nfs/dbraw/zinc/83/00/74/572830074.db2.gz LMQURQVQFOZMCO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)c1oc2c(c1C[NH3+])C[N@H+](C)C2 214773862 572830571 /nfs/dbraw/zinc/83/05/71/572830571.db2.gz GETPQFSRNNDDMV-UHFFFAOYSA-N 2 2 194.278 1.807 10 0 ADAELP CC(C)C[N@@H+](C/C=C\Cl)CC[NH3+] 307952994 572830854 /nfs/dbraw/zinc/83/08/54/572830854.db2.gz WYEBBABVABUHKS-ARJAWSKDSA-N 2 2 190.718 1.656 10 0 ADAELP CC(C)C[N@H+](C/C=C\Cl)CC[NH3+] 307952994 572830857 /nfs/dbraw/zinc/83/08/57/572830857.db2.gz WYEBBABVABUHKS-ARJAWSKDSA-N 2 2 190.718 1.656 10 0 ADAELP Cc1cccc2c1C[N@H+](CC[NH3+])CC2 71494840 572831865 /nfs/dbraw/zinc/83/18/65/572831865.db2.gz WJJIGYYLVGXXOI-UHFFFAOYSA-N 2 2 190.290 1.312 10 0 ADAELP Cc1cccc2c1C[N@@H+](CC[NH3+])CC2 71494840 572831870 /nfs/dbraw/zinc/83/18/70/572831870.db2.gz WJJIGYYLVGXXOI-UHFFFAOYSA-N 2 2 190.290 1.312 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@@H+]1C(C)(C)C 71496571 572832888 /nfs/dbraw/zinc/83/28/88/572832888.db2.gz PXYQYJAIEQMXEH-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@H+]1C(C)(C)C 71496571 572832891 /nfs/dbraw/zinc/83/28/91/572832891.db2.gz PXYQYJAIEQMXEH-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP Cc1ccc2c(c1)CC[N@@H+](CC[NH3+])C2 71494821 572833022 /nfs/dbraw/zinc/83/30/22/572833022.db2.gz FISGOXUWUDMOAX-UHFFFAOYSA-N 2 2 190.290 1.312 10 0 ADAELP Cc1ccc2c(c1)CC[N@H+](CC[NH3+])C2 71494821 572833025 /nfs/dbraw/zinc/83/30/25/572833025.db2.gz FISGOXUWUDMOAX-UHFFFAOYSA-N 2 2 190.290 1.312 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])CCCCF 308142100 572833326 /nfs/dbraw/zinc/83/33/26/572833326.db2.gz LWQYFQPAGRWCSZ-MRVPVSSYSA-N 2 2 185.246 1.560 10 0 ADAELP CC[C@H]([NH3+])CCc1cn(CC)c[nH+]1 308142108 572833399 /nfs/dbraw/zinc/83/33/99/572833399.db2.gz LXBUYDJVBCAOPL-VIFPVBQESA-N 2 2 181.283 1.573 10 0 ADAELP C[C@H]1C[NH2+]CCC[N@@H+]1C(C)(C)C 71496566 572833598 /nfs/dbraw/zinc/83/35/98/572833598.db2.gz QHNMEMASUKAEGC-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1C[NH2+]CCC[N@@H+]1C(C)(C)C 71496565 572834615 /nfs/dbraw/zinc/83/46/15/572834615.db2.gz QHNMEMASUKAEGC-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@@H+]1C(C)(C)C 71496569 572834696 /nfs/dbraw/zinc/83/46/96/572834696.db2.gz PXYQYJAIEQMXEH-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@H+]1C(C)(C)C 71496569 572834700 /nfs/dbraw/zinc/83/47/00/572834700.db2.gz PXYQYJAIEQMXEH-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])CCCCF 308142101 572834761 /nfs/dbraw/zinc/83/47/61/572834761.db2.gz LWQYFQPAGRWCSZ-QMMMGPOBSA-N 2 2 185.246 1.560 10 0 ADAELP CC(C)CC[N@@H+]1CCC[NH2+]C[C@H]1C 71499590 572835484 /nfs/dbraw/zinc/83/54/84/572835484.db2.gz RUSVLBKKLVNLEP-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@H+]1CCC[NH2+]C[C@H]1C 71499590 572835490 /nfs/dbraw/zinc/83/54/90/572835490.db2.gz RUSVLBKKLVNLEP-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP FCCC[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893609 572835763 /nfs/dbraw/zinc/83/57/63/572835763.db2.gz MVARFKBVDVKAJN-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP FCCC[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893609 572835767 /nfs/dbraw/zinc/83/57/67/572835767.db2.gz MVARFKBVDVKAJN-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP CC(C)CC[N@@H+]1CCC[NH2+]C[C@@H]1C 71499592 572835791 /nfs/dbraw/zinc/83/57/91/572835791.db2.gz RUSVLBKKLVNLEP-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C[C@H]1C 299890941 572835896 /nfs/dbraw/zinc/83/58/96/572835896.db2.gz AVWPOHWBFQCPFG-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C[C@H]1C 299890941 572835898 /nfs/dbraw/zinc/83/58/98/572835898.db2.gz AVWPOHWBFQCPFG-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP Cc1[nH]c(C[NH3+])c(-c2ccn(C)c2)[nH+]1 71500773 572835934 /nfs/dbraw/zinc/83/59/34/572835934.db2.gz WECOBXMIVWVEBF-UHFFFAOYSA-N 2 2 190.250 1.182 10 0 ADAELP CC[N@H+](C)C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 299895319 572836790 /nfs/dbraw/zinc/83/67/90/572836790.db2.gz GRAPTHGRKQADOZ-DCAQKATOSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 299895319 572836792 /nfs/dbraw/zinc/83/67/92/572836792.db2.gz GRAPTHGRKQADOZ-DCAQKATOSA-N 2 2 182.311 1.326 10 0 ADAELP Cc1[nH]c(C[NH3+])c(-c2ccccc2)[nH+]1 71500044 572836871 /nfs/dbraw/zinc/83/68/71/572836871.db2.gz ZIWKNTWUOSEAOT-UHFFFAOYSA-N 2 2 187.246 1.844 10 0 ADAELP C[N@H+](C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21)C1CC1 299895428 572836926 /nfs/dbraw/zinc/83/69/26/572836926.db2.gz GZUWMZNEMPSSTM-DLOVCJGASA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+](C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21)C1CC1 299895428 572836929 /nfs/dbraw/zinc/83/69/29/572836929.db2.gz GZUWMZNEMPSSTM-DLOVCJGASA-N 2 2 194.322 1.469 10 0 ADAELP Cc1[nH]c2ccc(CCC[NH3+])cc2[nH+]1 71500404 572836940 /nfs/dbraw/zinc/83/69/40/572836940.db2.gz BMVBANSCNOTNHT-UHFFFAOYSA-N 2 2 189.262 1.763 10 0 ADAELP Cc1[nH]c2cc(CCC[NH3+])ccc2[nH+]1 71500404 572836944 /nfs/dbraw/zinc/83/69/44/572836944.db2.gz BMVBANSCNOTNHT-UHFFFAOYSA-N 2 2 189.262 1.763 10 0 ADAELP CC[N@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299895320 572837306 /nfs/dbraw/zinc/83/73/06/572837306.db2.gz GRAPTHGRKQADOZ-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299895320 572837311 /nfs/dbraw/zinc/83/73/11/572837311.db2.gz GRAPTHGRKQADOZ-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@@H+]1CC[NH2+][C@H](c2ccccc2)CC1 71500847 572837329 /nfs/dbraw/zinc/83/73/29/572837329.db2.gz WZDOMFJVGNPPNB-LBPRGKRZSA-N 2 2 190.290 1.653 10 0 ADAELP CCCOc1cc(C)[nH+]c(C)c1C[NH3+] 87974983 572837330 /nfs/dbraw/zinc/83/73/30/572837330.db2.gz HWXVOISATHERJM-UHFFFAOYSA-N 2 2 194.278 1.946 10 0 ADAELP C[N@H+]1CC[NH2+][C@H](c2ccccc2)CC1 71500847 572837332 /nfs/dbraw/zinc/83/73/32/572837332.db2.gz WZDOMFJVGNPPNB-LBPRGKRZSA-N 2 2 190.290 1.653 10 0 ADAELP C[N@H+](C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21)C1CC1 299895429 572837718 /nfs/dbraw/zinc/83/77/18/572837718.db2.gz GZUWMZNEMPSSTM-JLLWLGSASA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+](C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21)C1CC1 299895429 572837722 /nfs/dbraw/zinc/83/77/22/572837722.db2.gz GZUWMZNEMPSSTM-JLLWLGSASA-N 2 2 194.322 1.469 10 0 ADAELP Cc1[nH]c(CC[NH3+])c(-c2cc[nH]c2)[nH+]1 71500782 572837730 /nfs/dbraw/zinc/83/77/30/572837730.db2.gz LPILTZROQRPGFE-UHFFFAOYSA-N 2 2 190.250 1.214 10 0 ADAELP C[N@H+](C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21)C1CC1 299895430 572837785 /nfs/dbraw/zinc/83/77/85/572837785.db2.gz GZUWMZNEMPSSTM-USWWRNFRSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+](C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21)C1CC1 299895430 572837787 /nfs/dbraw/zinc/83/77/87/572837787.db2.gz GZUWMZNEMPSSTM-USWWRNFRSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@@H]1c1ccco1 71498222 572837945 /nfs/dbraw/zinc/83/79/45/572837945.db2.gz VXWDMHPPVJYPBL-SECBINFHSA-N 2 2 180.251 1.246 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@@H]1c1ccco1 71498222 572837950 /nfs/dbraw/zinc/83/79/50/572837950.db2.gz VXWDMHPPVJYPBL-SECBINFHSA-N 2 2 180.251 1.246 10 0 ADAELP C[N@@H+]1CC[NH2+][C@@H](c2ccccc2)CC1 71500845 572838048 /nfs/dbraw/zinc/83/80/48/572838048.db2.gz WZDOMFJVGNPPNB-GFCCVEGCSA-N 2 2 190.290 1.653 10 0 ADAELP C[N@H+]1CC[NH2+][C@@H](c2ccccc2)CC1 71500845 572838051 /nfs/dbraw/zinc/83/80/51/572838051.db2.gz WZDOMFJVGNPPNB-GFCCVEGCSA-N 2 2 190.290 1.653 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@H]1c1ccco1 71498223 572838607 /nfs/dbraw/zinc/83/86/07/572838607.db2.gz VXWDMHPPVJYPBL-VIFPVBQESA-N 2 2 180.251 1.246 10 0 ADAELP Cc1[nH+]c(-c2cc[nH]c2)cn1CC[NH3+] 71500787 572838407 /nfs/dbraw/zinc/83/84/07/572838407.db2.gz UFGUFRMUEUMZMO-UHFFFAOYSA-N 2 2 190.250 1.145 10 0 ADAELP C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C 299891376 572838454 /nfs/dbraw/zinc/83/84/54/572838454.db2.gz QHBLQANHPDOFHQ-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C 299891376 572838458 /nfs/dbraw/zinc/83/84/58/572838458.db2.gz QHBLQANHPDOFHQ-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@H]1c1ccco1 71498223 572838604 /nfs/dbraw/zinc/83/86/04/572838604.db2.gz VXWDMHPPVJYPBL-VIFPVBQESA-N 2 2 180.251 1.246 10 0 ADAELP CC[N@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299895321 572838918 /nfs/dbraw/zinc/83/89/18/572838918.db2.gz GRAPTHGRKQADOZ-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299895321 572838920 /nfs/dbraw/zinc/83/89/20/572838920.db2.gz GRAPTHGRKQADOZ-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@@H]1c1ccccn1 71505965 572839160 /nfs/dbraw/zinc/83/91/60/572839160.db2.gz XMLMVWFAVDZEQW-LLVKDONJSA-N 2 2 191.278 1.048 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@@H]1c1ccccn1 71505965 572839163 /nfs/dbraw/zinc/83/91/63/572839163.db2.gz XMLMVWFAVDZEQW-LLVKDONJSA-N 2 2 191.278 1.048 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@H]1c1cccs1 71507410 572839260 /nfs/dbraw/zinc/83/92/60/572839260.db2.gz MPOZCFORZRIMRX-VIFPVBQESA-N 2 2 196.319 1.714 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@H]1c1cccs1 71507410 572839265 /nfs/dbraw/zinc/83/92/65/572839265.db2.gz MPOZCFORZRIMRX-VIFPVBQESA-N 2 2 196.319 1.714 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@H]1c1cccnc1 71505974 572839459 /nfs/dbraw/zinc/83/94/59/572839459.db2.gz PYZFJIHCDOLMBV-NSHDSACASA-N 2 2 191.278 1.048 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@H]1c1cccnc1 71505974 572839464 /nfs/dbraw/zinc/83/94/64/572839464.db2.gz PYZFJIHCDOLMBV-NSHDSACASA-N 2 2 191.278 1.048 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@@H]1c1cccs1 71507409 572840090 /nfs/dbraw/zinc/84/00/90/572840090.db2.gz MPOZCFORZRIMRX-SECBINFHSA-N 2 2 196.319 1.714 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@@H]1c1cccs1 71507409 572840094 /nfs/dbraw/zinc/84/00/94/572840094.db2.gz MPOZCFORZRIMRX-SECBINFHSA-N 2 2 196.319 1.714 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@@H]1c1ccncc1 71505981 572840574 /nfs/dbraw/zinc/84/05/74/572840574.db2.gz JTXCJGNRIZPMFA-LLVKDONJSA-N 2 2 191.278 1.048 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@@H]1c1ccncc1 71505981 572840575 /nfs/dbraw/zinc/84/05/75/572840575.db2.gz JTXCJGNRIZPMFA-LLVKDONJSA-N 2 2 191.278 1.048 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H](O)[C@@H](C)C[NH3+] 85926417 572840578 /nfs/dbraw/zinc/84/05/78/572840578.db2.gz UVTVBHUVJAONPD-WCBMZHEXSA-N 2 2 197.282 1.092 10 0 ADAELP Cc1[nH]c(C[NH3+])c(-c2cccnc2)[nH+]1 75407439 572840779 /nfs/dbraw/zinc/84/07/79/572840779.db2.gz UMTVZDQFEHQJKG-UHFFFAOYSA-N 2 2 188.234 1.239 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@H]1c1ccncc1 71505982 572841022 /nfs/dbraw/zinc/84/10/22/572841022.db2.gz JTXCJGNRIZPMFA-NSHDSACASA-N 2 2 191.278 1.048 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@H]1c1ccncc1 71505982 572841026 /nfs/dbraw/zinc/84/10/26/572841026.db2.gz JTXCJGNRIZPMFA-NSHDSACASA-N 2 2 191.278 1.048 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@@H]1c1cccnc1 71505973 572841323 /nfs/dbraw/zinc/84/13/23/572841323.db2.gz PYZFJIHCDOLMBV-LLVKDONJSA-N 2 2 191.278 1.048 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@@H]1c1cccnc1 71505973 572841328 /nfs/dbraw/zinc/84/13/28/572841328.db2.gz PYZFJIHCDOLMBV-LLVKDONJSA-N 2 2 191.278 1.048 10 0 ADAELP CCc1[nH+]c(C(C)C)[nH]c1C[NH3+] 75407142 572841725 /nfs/dbraw/zinc/84/17/25/572841725.db2.gz DTBWNKGBQOPRLQ-UHFFFAOYSA-N 2 2 167.256 1.554 10 0 ADAELP C[N@@H+]1CC[NH2+]CC[C@H]1c1ccccn1 71505966 572841751 /nfs/dbraw/zinc/84/17/51/572841751.db2.gz XMLMVWFAVDZEQW-NSHDSACASA-N 2 2 191.278 1.048 10 0 ADAELP C[N@H+]1CC[NH2+]CC[C@H]1c1ccccn1 71505966 572841754 /nfs/dbraw/zinc/84/17/54/572841754.db2.gz XMLMVWFAVDZEQW-NSHDSACASA-N 2 2 191.278 1.048 10 0 ADAELP Cc1[nH]c(C[NH3+])c(C(C)C)[nH+]1 75407193 572842364 /nfs/dbraw/zinc/84/23/64/572842364.db2.gz QBFBEAQNUGEJPG-UHFFFAOYSA-N 2 2 153.229 1.300 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86009145 572842410 /nfs/dbraw/zinc/84/24/10/572842410.db2.gz POEVOVBIUKHOMD-KXNHARMFSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009145 572842413 /nfs/dbraw/zinc/84/24/13/572842413.db2.gz POEVOVBIUKHOMD-KXNHARMFSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@@H](C)C[NH3+] 85926419 572842731 /nfs/dbraw/zinc/84/27/31/572842731.db2.gz UVTVBHUVJAONPD-WPRPVWTQSA-N 2 2 197.282 1.092 10 0 ADAELP CCn1c[nH+]c([C@@H](C)[C@H](C)C[NH3+])c1 308149603 572842757 /nfs/dbraw/zinc/84/27/57/572842757.db2.gz QBHMZRPARXKOKB-BDAKNGLRSA-N 2 2 181.283 1.601 10 0 ADAELP CCn1c[nH+]c([C@H](C)[C@H](C)C[NH3+])c1 308149607 572842855 /nfs/dbraw/zinc/84/28/55/572842855.db2.gz QBHMZRPARXKOKB-RKDXNWHRSA-N 2 2 181.283 1.601 10 0 ADAELP Cc1[nH]c(C[NH3+])c(C(C)(C)C)[nH+]1 75407095 572842965 /nfs/dbraw/zinc/84/29/65/572842965.db2.gz TUAWUSYQZFMTDZ-UHFFFAOYSA-N 2 2 167.256 1.474 10 0 ADAELP CCC1([C@@H]([NH3+])Cc2[nH]cc[nH+]2)CC1 308149631 572843127 /nfs/dbraw/zinc/84/31/27/572843127.db2.gz QCCCMKAORQBKMH-QMMMGPOBSA-N 2 2 179.267 1.470 10 0 ADAELP Cc1[nH+]c(CC(C)(C)C)[nH]c1C[NH3+] 75407062 572843225 /nfs/dbraw/zinc/84/32/25/572843225.db2.gz MMPRKYZDHBOEBY-UHFFFAOYSA-N 2 2 181.283 1.765 10 0 ADAELP Cc1[nH]c(C[NH3+])c(CC(C)C)[nH+]1 75407241 572843267 /nfs/dbraw/zinc/84/32/67/572843267.db2.gz QCKRRLUQOMIADP-UHFFFAOYSA-N 2 2 167.256 1.375 10 0 ADAELP CC(C)Cc1[nH+]c(C2CC2)[nH]c1C[NH3+] 75407243 572843610 /nfs/dbraw/zinc/84/36/10/572843610.db2.gz CNESIUDTZGIWDL-UHFFFAOYSA-N 2 2 193.294 1.944 10 0 ADAELP Cc1ccoc1C[NH2+]C[C@H](C)[NH3+] 307958750 572843860 /nfs/dbraw/zinc/84/38/60/572843860.db2.gz IHBIOYBICZYUEQ-QMMMGPOBSA-N 2 2 168.240 1.025 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@H](C)C[NH3+] 85926426 572843640 /nfs/dbraw/zinc/84/36/40/572843640.db2.gz UVTVBHUVJAONPD-SCZZXKLOSA-N 2 2 197.282 1.092 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H](O)[C@H](C)C[NH3+] 85926422 572843941 /nfs/dbraw/zinc/84/39/41/572843941.db2.gz UVTVBHUVJAONPD-PSASIEDQSA-N 2 2 197.282 1.092 10 0 ADAELP Cc1ccoc1C[NH2+]C[C@@H](C)[NH3+] 307958749 572844510 /nfs/dbraw/zinc/84/45/10/572844510.db2.gz IHBIOYBICZYUEQ-MRVPVSSYSA-N 2 2 168.240 1.025 10 0 ADAELP CCC1([C@H]([NH3+])Cc2[nH]cc[nH+]2)CC1 308149629 572844769 /nfs/dbraw/zinc/84/47/69/572844769.db2.gz QCCCMKAORQBKMH-MRVPVSSYSA-N 2 2 179.267 1.470 10 0 ADAELP CCC[C@H](C[NH3+])[N@H+](C)CCOCC 87976417 572845425 /nfs/dbraw/zinc/84/54/25/572845425.db2.gz USGLZPCMMDYAIN-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCC[C@H](C[NH3+])[N@@H+](C)CCOCC 87976417 572845427 /nfs/dbraw/zinc/84/54/27/572845427.db2.gz USGLZPCMMDYAIN-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCCF)C[N@@H+]1C 307958995 572845660 /nfs/dbraw/zinc/84/56/60/572845660.db2.gz ISCAYQGMXJUQPK-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCCF)C[N@H+]1C 307958995 572845666 /nfs/dbraw/zinc/84/56/66/572845666.db2.gz ISCAYQGMXJUQPK-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@@H+]1CCCC[C@H]1C 299896835 572845914 /nfs/dbraw/zinc/84/59/14/572845914.db2.gz NRNORJSRGPCBAY-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@H+]1CCCC[C@H]1C 299896835 572845916 /nfs/dbraw/zinc/84/59/16/572845916.db2.gz NRNORJSRGPCBAY-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CO[C@@H](CC[NH3+])c1c[nH+]c(C)cc1C 107183814 572846170 /nfs/dbraw/zinc/84/61/70/572846170.db2.gz DEGLGKJJLNROHG-NSHDSACASA-N 2 2 194.278 1.735 10 0 ADAELP CCC[C@H]([NH3+])C[N@H+](C)CCOCC 87977001 572846214 /nfs/dbraw/zinc/84/62/14/572846214.db2.gz SJXCZVSZFWBVDG-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CCC[C@H]([NH3+])C[N@@H+](C)CCOCC 87977001 572846217 /nfs/dbraw/zinc/84/62/17/572846217.db2.gz SJXCZVSZFWBVDG-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)CCOC(C)C 87976371 572846275 /nfs/dbraw/zinc/84/62/75/572846275.db2.gz SAQSUBUOYYQMHI-JTQLQIEISA-N 2 2 188.315 1.081 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)CCOC(C)C 87976371 572846278 /nfs/dbraw/zinc/84/62/78/572846278.db2.gz SAQSUBUOYYQMHI-JTQLQIEISA-N 2 2 188.315 1.081 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CCCC[C@H]1C 299896834 572846422 /nfs/dbraw/zinc/84/64/22/572846422.db2.gz NRNORJSRGPCBAY-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CCCC[C@H]1C 299896834 572846425 /nfs/dbraw/zinc/84/64/25/572846425.db2.gz NRNORJSRGPCBAY-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCCF)C[N@@H+]1C 307959000 572847288 /nfs/dbraw/zinc/84/72/88/572847288.db2.gz ISCAYQGMXJUQPK-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCCF)C[N@H+]1C 307959000 572847291 /nfs/dbraw/zinc/84/72/91/572847291.db2.gz ISCAYQGMXJUQPK-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CCCF)C[N@@H+]1C 307958998 572847438 /nfs/dbraw/zinc/84/74/38/572847438.db2.gz ISCAYQGMXJUQPK-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CCCF)C[N@H+]1C 307958998 572847440 /nfs/dbraw/zinc/84/74/40/572847440.db2.gz ISCAYQGMXJUQPK-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP Cc1cc(C[C@@H]([NH3+])C[NH+](C)C)cs1 308152203 572847527 /nfs/dbraw/zinc/84/75/27/572847527.db2.gz RLXUVPURUJUSCP-SNVBAGLBSA-N 2 2 198.335 1.488 10 0 ADAELP CCC[NH2+][C@H](C=C(C)C)C[NH+](C)C 86059197 572847707 /nfs/dbraw/zinc/84/77/07/572847707.db2.gz JVPJHTPSGMYRRW-LLVKDONJSA-N 2 2 184.327 1.882 10 0 ADAELP Cc1cc(C[C@H]([NH3+])C[NH+](C)C)cs1 308152197 572847844 /nfs/dbraw/zinc/84/78/44/572847844.db2.gz RLXUVPURUJUSCP-JTQLQIEISA-N 2 2 198.335 1.488 10 0 ADAELP CC(C)OCC[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 87977565 572847857 /nfs/dbraw/zinc/84/78/57/572847857.db2.gz QSZDQBJYBOOCFI-ZJUUUORDSA-N 2 2 188.315 1.079 10 0 ADAELP CC(C)OCC[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 87977565 572847861 /nfs/dbraw/zinc/84/78/61/572847861.db2.gz QSZDQBJYBOOCFI-ZJUUUORDSA-N 2 2 188.315 1.079 10 0 ADAELP CC[NH2+][C@H](C=C(C)C)C[NH+](C)C 86059188 572848443 /nfs/dbraw/zinc/84/84/43/572848443.db2.gz WUNZBUIILGRHOJ-SNVBAGLBSA-N 2 2 170.300 1.492 10 0 ADAELP CC[NH2+][C@@H](C=C(C)C)C[NH+](C)C 86059192 572849221 /nfs/dbraw/zinc/84/92/21/572849221.db2.gz WUNZBUIILGRHOJ-JTQLQIEISA-N 2 2 170.300 1.492 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](C)CCOC(C)C 87977558 572849256 /nfs/dbraw/zinc/84/92/56/572849256.db2.gz CPVUBQIZHFUUFT-JTQLQIEISA-N 2 2 188.315 1.081 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)CCOC(C)C 87977558 572849260 /nfs/dbraw/zinc/84/92/60/572849260.db2.gz CPVUBQIZHFUUFT-JTQLQIEISA-N 2 2 188.315 1.081 10 0 ADAELP CCC[NH2+][C@@H](C=C(C)C)C[NH+](C)C 86059199 572849660 /nfs/dbraw/zinc/84/96/60/572849660.db2.gz JVPJHTPSGMYRRW-NSHDSACASA-N 2 2 184.327 1.882 10 0 ADAELP CC(C)OCC[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 87977566 572850272 /nfs/dbraw/zinc/85/02/72/572850272.db2.gz QSZDQBJYBOOCFI-NXEZZACHSA-N 2 2 188.315 1.079 10 0 ADAELP CC(C)OCC[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 87977566 572850275 /nfs/dbraw/zinc/85/02/75/572850275.db2.gz QSZDQBJYBOOCFI-NXEZZACHSA-N 2 2 188.315 1.079 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)CCOC(C)C 87977559 572850405 /nfs/dbraw/zinc/85/04/05/572850405.db2.gz CPVUBQIZHFUUFT-SNVBAGLBSA-N 2 2 188.315 1.081 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)CCOC(C)C 87977559 572850408 /nfs/dbraw/zinc/85/04/08/572850408.db2.gz CPVUBQIZHFUUFT-SNVBAGLBSA-N 2 2 188.315 1.081 10 0 ADAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCF)C1 308145461 572852531 /nfs/dbraw/zinc/85/25/31/572852531.db2.gz AEOLDDOSTSLPBI-ZJUUUORDSA-N 2 2 188.290 1.276 10 0 ADAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCF)C1 308145461 572852535 /nfs/dbraw/zinc/85/25/35/572852535.db2.gz AEOLDDOSTSLPBI-ZJUUUORDSA-N 2 2 188.290 1.276 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]CCCF)C1 308145459 572853570 /nfs/dbraw/zinc/85/35/70/572853570.db2.gz AEOLDDOSTSLPBI-UWVGGRQHSA-N 2 2 188.290 1.276 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+]CCCF)C1 308145459 572853574 /nfs/dbraw/zinc/85/35/74/572853574.db2.gz AEOLDDOSTSLPBI-UWVGGRQHSA-N 2 2 188.290 1.276 10 0 ADAELP CC[C@@H]1CC[N@H+](C[C@@H]2[NH2+]CC[C@H]2C)C1 299898457 572853857 /nfs/dbraw/zinc/85/38/57/572853857.db2.gz YSODCJUGMWFEOT-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1CC[N@@H+](C[C@@H]2[NH2+]CC[C@H]2C)C1 299898457 572853861 /nfs/dbraw/zinc/85/38/61/572853861.db2.gz YSODCJUGMWFEOT-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@@H+]1C[C@H](C)C[C@@H]1C 299898507 572853884 /nfs/dbraw/zinc/85/38/84/572853884.db2.gz ZOXBVXGMDQWTQY-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@H+]1C[C@H](C)C[C@@H]1C 299898507 572853888 /nfs/dbraw/zinc/85/38/88/572853888.db2.gz ZOXBVXGMDQWTQY-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCF)C1 308145460 572854169 /nfs/dbraw/zinc/85/41/69/572854169.db2.gz AEOLDDOSTSLPBI-VHSXEESVSA-N 2 2 188.290 1.276 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCF)C1 308145460 572854172 /nfs/dbraw/zinc/85/41/72/572854172.db2.gz AEOLDDOSTSLPBI-VHSXEESVSA-N 2 2 188.290 1.276 10 0 ADAELP CC[C@H](C[NH2+]C)[NH+]1C[C@@H](C)[C@H](C)C1 86012407 572854296 /nfs/dbraw/zinc/85/42/96/572854296.db2.gz DKXDEEPIJHFBEW-GMTAPVOTSA-N 2 2 184.327 1.572 10 0 ADAELP CC[N@H+]1C[C@@H]([NH2+]CCCF)[C@H](C)C1 308145458 572854512 /nfs/dbraw/zinc/85/45/12/572854512.db2.gz AEOLDDOSTSLPBI-NXEZZACHSA-N 2 2 188.290 1.276 10 0 ADAELP CC[N@@H+]1C[C@@H]([NH2+]CCCF)[C@H](C)C1 308145458 572854514 /nfs/dbraw/zinc/85/45/14/572854514.db2.gz AEOLDDOSTSLPBI-NXEZZACHSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1C[C@@H]1[NH2+]CC[C@H]1C 299898511 572854645 /nfs/dbraw/zinc/85/46/45/572854645.db2.gz ZOXBVXGMDQWTQY-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP FCCCC[NH2+]Cc1c[nH+]c[nH]1 307962257 572854586 /nfs/dbraw/zinc/85/45/86/572854586.db2.gz NAQDCXKQHORKQG-UHFFFAOYSA-N 2 2 171.219 1.249 10 0 ADAELP CC1=CC[N@H+](C[C@H]2[NH2+]CC[C@H]2C)CC1 299897621 572855383 /nfs/dbraw/zinc/85/53/83/572855383.db2.gz RSMYQUMEBRZNHM-VXGBXAGGSA-N 2 2 194.322 1.636 10 0 ADAELP CC1=CC[N@@H+](C[C@H]2[NH2+]CC[C@H]2C)CC1 299897621 572855388 /nfs/dbraw/zinc/85/53/88/572855388.db2.gz RSMYQUMEBRZNHM-VXGBXAGGSA-N 2 2 194.322 1.636 10 0 ADAELP CC[NH2+]C[C@H](CC)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012449 572855748 /nfs/dbraw/zinc/85/57/48/572855748.db2.gz SMCUFOWJUUMFSH-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH2+]C[C@H](CC)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012449 572855752 /nfs/dbraw/zinc/85/57/52/572855752.db2.gz SMCUFOWJUUMFSH-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H]1CC[N@H+](C[C@H]2[NH2+]CC[C@@H]2C)C1 299898456 572855793 /nfs/dbraw/zinc/85/57/93/572855793.db2.gz YSODCJUGMWFEOT-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1CC[N@@H+](C[C@H]2[NH2+]CC[C@@H]2C)C1 299898456 572855794 /nfs/dbraw/zinc/85/57/94/572855794.db2.gz YSODCJUGMWFEOT-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CC[NH2+]C[C@@H](CC)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012450 572855848 /nfs/dbraw/zinc/85/58/48/572855848.db2.gz SMCUFOWJUUMFSH-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH2+]C[C@@H](CC)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012450 572855851 /nfs/dbraw/zinc/85/58/51/572855851.db2.gz SMCUFOWJUUMFSH-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H]1CC[N@H+](C[C@H]2[NH2+]CC[C@H]2C)C1 299898455 572855999 /nfs/dbraw/zinc/85/59/99/572855999.db2.gz YSODCJUGMWFEOT-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1CC[N@@H+](C[C@H]2[NH2+]CC[C@H]2C)C1 299898455 572856002 /nfs/dbraw/zinc/85/60/02/572856002.db2.gz YSODCJUGMWFEOT-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CCC1(CC)C[NH+](C[C@H](C)[NH2+]C)C1 308146940 572857026 /nfs/dbraw/zinc/85/70/26/572857026.db2.gz OOGHZVHRPIFODN-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC1=CC[N@H+](C[C@@H]2[NH2+]CC[C@H]2C)CC1 299897620 572856281 /nfs/dbraw/zinc/85/62/81/572856281.db2.gz RSMYQUMEBRZNHM-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP CC1=CC[N@@H+](C[C@@H]2[NH2+]CC[C@H]2C)CC1 299897620 572856287 /nfs/dbraw/zinc/85/62/87/572856287.db2.gz RSMYQUMEBRZNHM-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012405 572856435 /nfs/dbraw/zinc/85/64/35/572856435.db2.gz DKXDEEPIJHFBEW-OUAUKWLOSA-N 2 2 184.327 1.572 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012405 572856438 /nfs/dbraw/zinc/85/64/38/572856438.db2.gz DKXDEEPIJHFBEW-OUAUKWLOSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012497 572856709 /nfs/dbraw/zinc/85/67/09/572856709.db2.gz VZOFBJQBZKFMPM-TUAOUCFPSA-N 2 2 198.354 1.818 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012497 572856713 /nfs/dbraw/zinc/85/67/13/572856713.db2.gz VZOFBJQBZKFMPM-TUAOUCFPSA-N 2 2 198.354 1.818 10 0 ADAELP CC[C@@H](C[NH2+]C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012404 572856997 /nfs/dbraw/zinc/85/69/97/572856997.db2.gz DKXDEEPIJHFBEW-AXFHLTTASA-N 2 2 184.327 1.572 10 0 ADAELP CC[NH2+]C[C@H](CC)[NH+]1C[C@@H](C)[C@H](C)C1 86012451 572857010 /nfs/dbraw/zinc/85/70/10/572857010.db2.gz SMCUFOWJUUMFSH-UTUOFQBUSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1[NH2+]CC[C@H]1C 299898509 572857172 /nfs/dbraw/zinc/85/71/72/572857172.db2.gz ZOXBVXGMDQWTQY-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1[NH2+]CC[C@H]1C 299898509 572857175 /nfs/dbraw/zinc/85/71/75/572857175.db2.gz ZOXBVXGMDQWTQY-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H](c1cccn1C)[N@@H+]1CC[C@@H]([NH3+])C1 257585048 572859543 /nfs/dbraw/zinc/85/95/43/572859543.db2.gz IMMISBHDKCFSGM-VHSXEESVSA-N 2 2 193.294 1.119 10 0 ADAELP CCC1(CC)C[NH+](C[C@@H](C)[NH2+]C)C1 308146941 572857914 /nfs/dbraw/zinc/85/79/14/572857914.db2.gz OOGHZVHRPIFODN-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[C@H]1C[NH2+]C[C@H]2CCC[N@H+]12 77263112 572858178 /nfs/dbraw/zinc/85/81/78/572858178.db2.gz CMFPUCHQPOZQRP-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP CCC[C@H]1C[NH2+]C[C@H]2CCC[N@@H+]12 77263112 572858183 /nfs/dbraw/zinc/85/81/83/572858183.db2.gz CMFPUCHQPOZQRP-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP CCC[C@@H]1C[NH2+]C[C@H]2CCC[N@H+]12 77263108 572858231 /nfs/dbraw/zinc/85/82/31/572858231.db2.gz CMFPUCHQPOZQRP-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP CCC[C@@H]1C[NH2+]C[C@H]2CCC[N@@H+]12 77263108 572858235 /nfs/dbraw/zinc/85/82/35/572858235.db2.gz CMFPUCHQPOZQRP-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP CC[NH2+][C@H]1CC[N@H+](CCCF)C1 307962950 572858286 /nfs/dbraw/zinc/85/82/86/572858286.db2.gz NOBNLOXFXOOOLY-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP CC[NH2+][C@H]1CC[N@@H+](CCCF)C1 307962950 572858289 /nfs/dbraw/zinc/85/82/89/572858289.db2.gz NOBNLOXFXOOOLY-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP CC[N@H+](CC[NH3+])CCSC(C)C 307962711 572858432 /nfs/dbraw/zinc/85/84/32/572858432.db2.gz NKIYSVAUBNVDOS-UHFFFAOYSA-N 2 2 190.356 1.409 10 0 ADAELP CC[N@@H+](CC[NH3+])CCSC(C)C 307962711 572858440 /nfs/dbraw/zinc/85/84/40/572858440.db2.gz NKIYSVAUBNVDOS-UHFFFAOYSA-N 2 2 190.356 1.409 10 0 ADAELP NC(=[NH2+])SCCCCc1c[nH]c[nH+]1 238595179 572858883 /nfs/dbraw/zinc/85/88/83/572858883.db2.gz IWCGUIDGPUVHTP-UHFFFAOYSA-N 2 2 198.295 1.359 10 0 ADAELP NC(=[NH2+])SCCCCc1c[nH+]c[nH]1 238595179 572858888 /nfs/dbraw/zinc/85/88/88/572858888.db2.gz IWCGUIDGPUVHTP-UHFFFAOYSA-N 2 2 198.295 1.359 10 0 ADAELP [NH3+][C@@H]1CCC2=C1[C@@H]1CC=C[C@@H](F)[C@H]1[NH2+]2 257585005 572858947 /nfs/dbraw/zinc/85/89/47/572858947.db2.gz IDYGBMZXZIDKPP-RFOGZPIASA-N 2 2 194.253 1.248 10 0 ADAELP [NH3+]C[NH2+]CCCc1ccccc1 238596567 572859027 /nfs/dbraw/zinc/85/90/27/572859027.db2.gz WZEDEBLUSOIQGV-UHFFFAOYSA-N 2 2 164.252 1.125 10 0 ADAELP CCC[N@H+](CC(C)=O)C1CC[NH2+]CC1 50155198 572859039 /nfs/dbraw/zinc/85/90/39/572859039.db2.gz KQXJDQLUVXUYFW-UHFFFAOYSA-N 2 2 198.310 1.039 10 0 ADAELP CCC[N@@H+](CC(C)=O)C1CC[NH2+]CC1 50155198 572859043 /nfs/dbraw/zinc/85/90/43/572859043.db2.gz KQXJDQLUVXUYFW-UHFFFAOYSA-N 2 2 198.310 1.039 10 0 ADAELP CCC[C@H]1C[NH2+]C[C@@H]2CCC[N@H+]12 77263119 572859156 /nfs/dbraw/zinc/85/91/56/572859156.db2.gz CMFPUCHQPOZQRP-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP CCC[C@H]1C[NH2+]C[C@@H]2CCC[N@@H+]12 77263119 572859160 /nfs/dbraw/zinc/85/91/60/572859160.db2.gz CMFPUCHQPOZQRP-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP NC(=[NH2+])SCCNc1cccc[nH+]1 238595423 572859480 /nfs/dbraw/zinc/85/94/80/572859480.db2.gz SDAUOIRDUXZSIA-UHFFFAOYSA-N 2 2 196.279 1.120 10 0 ADAELP C[C@@H](c1cccn1C)[N@H+]1CC[C@@H]([NH3+])C1 257585048 572859548 /nfs/dbraw/zinc/85/95/48/572859548.db2.gz IMMISBHDKCFSGM-VHSXEESVSA-N 2 2 193.294 1.119 10 0 ADAELP CCC[C@@H]1C[NH2+]C[C@@H]2CCC[N@@H+]21 77263114 572859823 /nfs/dbraw/zinc/85/98/23/572859823.db2.gz CMFPUCHQPOZQRP-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP CCC[C@@H]1C[NH2+]C[C@@H]2CCC[N@H+]21 77263114 572859825 /nfs/dbraw/zinc/85/98/25/572859825.db2.gz CMFPUCHQPOZQRP-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP [NH3+][C@@H]1CCC2=C1[C@@H]1CC=C[C@@H](F)[C@@H]1[NH2+]2 257585002 572859868 /nfs/dbraw/zinc/85/98/68/572859868.db2.gz IDYGBMZXZIDKPP-PRKAOEEVSA-N 2 2 194.253 1.248 10 0 ADAELP CC[NH2+][C@@H]1CC[N@H+](CCCF)C1 307962949 572860252 /nfs/dbraw/zinc/86/02/52/572860252.db2.gz NOBNLOXFXOOOLY-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP CC[NH2+][C@@H]1CC[N@@H+](CCCF)C1 307962949 572860254 /nfs/dbraw/zinc/86/02/54/572860254.db2.gz NOBNLOXFXOOOLY-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP [NH3+][C@@H]1CCC2=C1[C@@H]1CC=C[C@H](F)[C@H]1[NH2+]2 257585009 572861238 /nfs/dbraw/zinc/86/12/38/572861238.db2.gz IDYGBMZXZIDKPP-SDCKUUTBSA-N 2 2 194.253 1.248 10 0 ADAELP C[C@H](c1cccn1C)[N@@H+]1CC[C@@H]([NH3+])C1 257585045 572861295 /nfs/dbraw/zinc/86/12/95/572861295.db2.gz IMMISBHDKCFSGM-NXEZZACHSA-N 2 2 193.294 1.119 10 0 ADAELP C[C@H](c1cccn1C)[N@H+]1CC[C@@H]([NH3+])C1 257585045 572861298 /nfs/dbraw/zinc/86/12/98/572861298.db2.gz IMMISBHDKCFSGM-NXEZZACHSA-N 2 2 193.294 1.119 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+]CCc1c[nH]c[nH+]1 308154237 572862108 /nfs/dbraw/zinc/86/21/08/572862108.db2.gz SIVOMVSXEFFUHF-PSASIEDQSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+]CCc1c[nH+]c[nH]1 308154237 572862112 /nfs/dbraw/zinc/86/21/12/572862112.db2.gz SIVOMVSXEFFUHF-PSASIEDQSA-N 2 2 179.267 1.340 10 0 ADAELP C[NH2+]C[C@@H](C)C[NH2+]Cc1cscn1 86070734 572865765 /nfs/dbraw/zinc/86/57/65/572865765.db2.gz DTEJJVQLAZZBEE-MRVPVSSYSA-N 2 2 199.323 1.088 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH]c[nH+]1 308154238 572863593 /nfs/dbraw/zinc/86/35/93/572863593.db2.gz SIVOMVSXEFFUHF-SCZZXKLOSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH+]c[nH]1 308154238 572863596 /nfs/dbraw/zinc/86/35/96/572863596.db2.gz SIVOMVSXEFFUHF-SCZZXKLOSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@H]1CC[C@H]1[NH2+]CCc1c[nH]c[nH+]1 308154239 572863876 /nfs/dbraw/zinc/86/38/76/572863876.db2.gz SIVOMVSXEFFUHF-WCBMZHEXSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@H]1CC[C@H]1[NH2+]CCc1c[nH+]c[nH]1 308154239 572863881 /nfs/dbraw/zinc/86/38/81/572863881.db2.gz SIVOMVSXEFFUHF-WCBMZHEXSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@H]1CC[C@@H]1[NH2+]CCc1c[nH]c[nH+]1 308154240 572864159 /nfs/dbraw/zinc/86/41/59/572864159.db2.gz SIVOMVSXEFFUHF-WPRPVWTQSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@H]1CC[C@@H]1[NH2+]CCc1c[nH+]c[nH]1 308154240 572864163 /nfs/dbraw/zinc/86/41/63/572864163.db2.gz SIVOMVSXEFFUHF-WPRPVWTQSA-N 2 2 179.267 1.340 10 0 ADAELP CC[C@H](C[N@@H+]1C[C@@H](C)C[C@@H](C)C1)[NH2+]C 50166230 572864300 /nfs/dbraw/zinc/86/43/00/572864300.db2.gz MENLDPSEWQROOU-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C[N@H+]1C[C@@H](C)C[C@@H](C)C1)[NH2+]C 50166230 572864302 /nfs/dbraw/zinc/86/43/02/572864302.db2.gz MENLDPSEWQROOU-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C[C@@H](C)C[NH2+]Cc1nccs1 86070564 572865040 /nfs/dbraw/zinc/86/50/40/572865040.db2.gz GONWOTDJKVIHEQ-MRVPVSSYSA-N 2 2 199.323 1.088 10 0 ADAELP Cc1[nH+]c[nH]c1CC[NH2+]C(C)C 75555537 572865204 /nfs/dbraw/zinc/86/52/04/572865204.db2.gz MJABCLXURGRGJI-UHFFFAOYSA-N 2 2 167.256 1.259 10 0 ADAELP Cc1[nH]c[nH+]c1CC[NH2+]C(C)C 75555537 572865207 /nfs/dbraw/zinc/86/52/07/572865207.db2.gz MJABCLXURGRGJI-UHFFFAOYSA-N 2 2 167.256 1.259 10 0 ADAELP C[NH2+]C[C@H](C)C[NH2+]Cc1nccs1 86070562 572865277 /nfs/dbraw/zinc/86/52/77/572865277.db2.gz GONWOTDJKVIHEQ-QMMMGPOBSA-N 2 2 199.323 1.088 10 0 ADAELP C[NH2+]C[C@H](C)C[NH2+]Cc1cscn1 86070731 572866232 /nfs/dbraw/zinc/86/62/32/572866232.db2.gz DTEJJVQLAZZBEE-QMMMGPOBSA-N 2 2 199.323 1.088 10 0 ADAELP Cc1[nH+]c[nH]c1CC[NH2+]C(C)(C)C 75575795 572868947 /nfs/dbraw/zinc/86/89/47/572868947.db2.gz XUMFOUNVXAXZNF-UHFFFAOYSA-N 2 2 181.283 1.649 10 0 ADAELP Cc1[nH]c[nH+]c1CC[NH2+]C(C)(C)C 75575795 572868949 /nfs/dbraw/zinc/86/89/49/572868949.db2.gz XUMFOUNVXAXZNF-UHFFFAOYSA-N 2 2 181.283 1.649 10 0 ADAELP C[N@@H+]1CC[C@@H](c2ccsc2)[C@@H]([NH3+])C1 257610990 572869341 /nfs/dbraw/zinc/86/93/41/572869341.db2.gz XHCXWFWOROVHCF-UWVGGRQHSA-N 2 2 196.319 1.495 10 0 ADAELP C[N@H+]1CC[C@@H](c2ccsc2)[C@@H]([NH3+])C1 257610990 572869349 /nfs/dbraw/zinc/86/93/49/572869349.db2.gz XHCXWFWOROVHCF-UWVGGRQHSA-N 2 2 196.319 1.495 10 0 ADAELP CCC[N@H+](C)Cc1cccc(NN)[nH+]1 86116535 572869449 /nfs/dbraw/zinc/86/94/49/572869449.db2.gz ZQLFFNDGFUHHPU-UHFFFAOYSA-N 2 2 194.282 1.209 10 0 ADAELP CCC[N@@H+](C)Cc1cccc(NN)[nH+]1 86116535 572869453 /nfs/dbraw/zinc/86/94/53/572869453.db2.gz ZQLFFNDGFUHHPU-UHFFFAOYSA-N 2 2 194.282 1.209 10 0 ADAELP CCC[NH2+]C[C@@H]1CC2CC[NH+]1CC2 75576140 572869583 /nfs/dbraw/zinc/86/95/83/572869583.db2.gz IAZYUBYKNBTSKZ-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[NH2+]C[C@@H]1CC2CC[NH+]1CC2 75576138 572869659 /nfs/dbraw/zinc/86/96/59/572869659.db2.gz FIFVMFQICOGUSY-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+]1CC[C@H](c2ccsc2)[C@@H]([NH3+])C1 257610991 572870571 /nfs/dbraw/zinc/87/05/71/572870571.db2.gz XHCXWFWOROVHCF-ZJUUUORDSA-N 2 2 196.319 1.495 10 0 ADAELP C[N@H+]1CC[C@H](c2ccsc2)[C@@H]([NH3+])C1 257610991 572870573 /nfs/dbraw/zinc/87/05/73/572870573.db2.gz XHCXWFWOROVHCF-ZJUUUORDSA-N 2 2 196.319 1.495 10 0 ADAELP CCn1c[nH+]c([C@@H](C)C[C@H](C)[NH3+])c1 308156221 572870850 /nfs/dbraw/zinc/87/08/50/572870850.db2.gz UGNSMKRWYLFOHI-IUCAKERBSA-N 2 2 181.283 1.744 10 0 ADAELP Cc1cc([C@@H]2CC[N@@H+](C)C[C@H]2[NH3+])c[nH]1 257609167 572870946 /nfs/dbraw/zinc/87/09/46/572870946.db2.gz VHFIDQXXNGQBLH-WDEREUQCSA-N 2 2 193.294 1.070 10 0 ADAELP Cc1cc([C@@H]2CC[N@H+](C)C[C@H]2[NH3+])c[nH]1 257609167 572870951 /nfs/dbraw/zinc/87/09/51/572870951.db2.gz VHFIDQXXNGQBLH-WDEREUQCSA-N 2 2 193.294 1.070 10 0 ADAELP CC[C@H](C[NH2+]CC1CC1)[NH+](C)C 307970676 572871443 /nfs/dbraw/zinc/87/14/43/572871443.db2.gz GWWYDVMRTDZAAU-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP Cc1cc([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])c[nH]1 257609166 572871698 /nfs/dbraw/zinc/87/16/98/572871698.db2.gz VHFIDQXXNGQBLH-GHMZBOCLSA-N 2 2 193.294 1.070 10 0 ADAELP Cc1cc([C@H]2CC[N@H+](C)C[C@H]2[NH3+])c[nH]1 257609166 572871703 /nfs/dbraw/zinc/87/17/03/572871703.db2.gz VHFIDQXXNGQBLH-GHMZBOCLSA-N 2 2 193.294 1.070 10 0 ADAELP CCn1c[nH+]c([C@@H](C)C[C@@H](C)[NH3+])c1 308156220 572871971 /nfs/dbraw/zinc/87/19/71/572871971.db2.gz UGNSMKRWYLFOHI-DTWKUNHWSA-N 2 2 181.283 1.744 10 0 ADAELP CC[C@@H](C[NH2+]CC1CC1)[NH+](C)C 307970675 572872339 /nfs/dbraw/zinc/87/23/39/572872339.db2.gz GWWYDVMRTDZAAU-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1cccs1 50270170 572873161 /nfs/dbraw/zinc/87/31/61/572873161.db2.gz ADIPQBWDMMEOHJ-ZETCQYMHSA-N 2 2 170.281 1.357 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccsc1 50270137 572873349 /nfs/dbraw/zinc/87/33/49/572873349.db2.gz XSPLMQCVQPPJAR-MRVPVSSYSA-N 2 2 170.281 1.357 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccsc1 50270136 572874930 /nfs/dbraw/zinc/87/49/30/572874930.db2.gz XSPLMQCVQPPJAR-QMMMGPOBSA-N 2 2 170.281 1.357 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1cccs1 50270171 572874520 /nfs/dbraw/zinc/87/45/20/572874520.db2.gz ADIPQBWDMMEOHJ-SSDOTTSWSA-N 2 2 170.281 1.357 10 0 ADAELP Cc1[nH]c(C[N@@H+](C)CC(C)C)c[nH+]1 308157133 572874632 /nfs/dbraw/zinc/87/46/32/572874632.db2.gz SEEKZZUOWAOHIJ-UHFFFAOYSA-N 2 2 181.283 1.806 10 0 ADAELP Cc1[nH]c(C[N@H+](C)CC(C)C)c[nH+]1 308157133 572874636 /nfs/dbraw/zinc/87/46/36/572874636.db2.gz SEEKZZUOWAOHIJ-UHFFFAOYSA-N 2 2 181.283 1.806 10 0 ADAELP CCC[C@H]1CC[N@@H+](C2CC2)C[C@@H]1[NH3+] 77270170 572875110 /nfs/dbraw/zinc/87/51/10/572875110.db2.gz AAZYLCQQLPOZKS-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP CCC[C@H]1CC[N@H+](C2CC2)C[C@@H]1[NH3+] 77270170 572875114 /nfs/dbraw/zinc/87/51/14/572875114.db2.gz AAZYLCQQLPOZKS-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)(C)[C@@H]1C[NH2+]C[C@@H]2CCC[N@@H+]21 77270240 572876373 /nfs/dbraw/zinc/87/63/73/572876373.db2.gz LHWIFBPNXGNGDU-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)(C)[C@@H]1C[NH2+]C[C@@H]2CCC[N@H+]21 77270240 572876376 /nfs/dbraw/zinc/87/63/76/572876376.db2.gz LHWIFBPNXGNGDU-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@H]1CC[N@@H+](C2CC2)C[C@@H]1[NH3+] 77270161 572876415 /nfs/dbraw/zinc/87/64/15/572876415.db2.gz FCNBOMOUZPEETA-MNOVXSKESA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[C@H]1CC[N@H+](C2CC2)C[C@@H]1[NH3+] 77270161 572876416 /nfs/dbraw/zinc/87/64/16/572876416.db2.gz FCNBOMOUZPEETA-MNOVXSKESA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)Cc1cn(CCC[NH3+])c[nH+]1 77269216 572876544 /nfs/dbraw/zinc/87/65/44/572876544.db2.gz XLVZOMWLQINLAC-UHFFFAOYSA-N 2 2 181.283 1.430 10 0 ADAELP CC(C)(C)[C@H]1C[NH2+]C[C@H]2CCC[N@H+]12 77270235 572876806 /nfs/dbraw/zinc/87/68/06/572876806.db2.gz LHWIFBPNXGNGDU-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)(C)[C@H]1C[NH2+]C[C@H]2CCC[N@@H+]12 77270235 572876809 /nfs/dbraw/zinc/87/68/09/572876809.db2.gz LHWIFBPNXGNGDU-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)(C)[C@H]1C[NH2+]C[C@@H]2CCC[N@@H+]21 77270245 572876984 /nfs/dbraw/zinc/87/69/84/572876984.db2.gz LHWIFBPNXGNGDU-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)(C)[C@H]1C[NH2+]C[C@@H]2CCC[N@H+]21 77270245 572876986 /nfs/dbraw/zinc/87/69/86/572876986.db2.gz LHWIFBPNXGNGDU-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+](C2CC2)C[C@@H]1[NH3+] 77270158 572877037 /nfs/dbraw/zinc/87/70/37/572877037.db2.gz FCNBOMOUZPEETA-QWRGUYRKSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[C@@H]1CC[N@H+](C2CC2)C[C@@H]1[NH3+] 77270158 572877040 /nfs/dbraw/zinc/87/70/40/572877040.db2.gz FCNBOMOUZPEETA-QWRGUYRKSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)(C)[C@@H]1C[NH2+]C[C@H]2CCC[N@@H+]21 77270230 572877115 /nfs/dbraw/zinc/87/71/15/572877115.db2.gz LHWIFBPNXGNGDU-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)(C)[C@@H]1C[NH2+]C[C@H]2CCC[N@H+]21 77270230 572877120 /nfs/dbraw/zinc/87/71/20/572877120.db2.gz LHWIFBPNXGNGDU-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[NH2+]CC[NH+]1C2CCC1CC2 308160280 572880347 /nfs/dbraw/zinc/88/03/47/572880347.db2.gz UQVPWZFQTNMPFJ-UHFFFAOYSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)(C[NH3+])[NH2+]Cc1ccoc1 307967915 572881006 /nfs/dbraw/zinc/88/10/06/572881006.db2.gz UCCYCVVLXCFADY-UHFFFAOYSA-N 2 2 168.240 1.107 10 0 ADAELP CCC[C@@H](C1CC1)[N@H+](C)C[C@@H](C)[NH3+] 308160646 572882835 /nfs/dbraw/zinc/88/28/35/572882835.db2.gz WOLHXRKVEPKAIU-KOLCDFICSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@@H](C1CC1)[N@@H+](C)C[C@@H](C)[NH3+] 308160646 572882838 /nfs/dbraw/zinc/88/28/38/572882838.db2.gz WOLHXRKVEPKAIU-KOLCDFICSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1[C@@H](C)C[C@H]1C 307967891 572883057 /nfs/dbraw/zinc/88/30/57/572883057.db2.gz UAZREWFKVULDNT-AOOOYVTPSA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1[C@@H](C)C[C@H]1C 307967891 572883061 /nfs/dbraw/zinc/88/30/61/572883061.db2.gz UAZREWFKVULDNT-AOOOYVTPSA-N 2 2 170.300 1.467 10 0 ADAELP CCC[C@H](C1CC1)[N@H+](C)C[C@H](C)[NH3+] 308160643 572883504 /nfs/dbraw/zinc/88/35/04/572883504.db2.gz WOLHXRKVEPKAIU-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C1CC1)[N@@H+](C)C[C@H](C)[NH3+] 308160643 572883508 /nfs/dbraw/zinc/88/35/08/572883508.db2.gz WOLHXRKVEPKAIU-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@@H](C1CC1)[N@H+](C)C[C@H](C)[NH3+] 308160650 572883710 /nfs/dbraw/zinc/88/37/10/572883710.db2.gz WOLHXRKVEPKAIU-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@@H](C1CC1)[N@@H+](C)C[C@H](C)[NH3+] 308160650 572883713 /nfs/dbraw/zinc/88/37/13/572883713.db2.gz WOLHXRKVEPKAIU-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@@H]([NH3+])CCc1cn(C)c[nH+]1 308160740 572883883 /nfs/dbraw/zinc/88/38/83/572883883.db2.gz WQZISXIJYYGHEG-SECBINFHSA-N 2 2 181.283 1.480 10 0 ADAELP CCC[C@H](C1CC1)[N@H+](C)C[C@@H](C)[NH3+] 308160648 572884340 /nfs/dbraw/zinc/88/43/40/572884340.db2.gz WOLHXRKVEPKAIU-MWLCHTKSSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C1CC1)[N@@H+](C)C[C@@H](C)[NH3+] 308160648 572884343 /nfs/dbraw/zinc/88/43/43/572884343.db2.gz WOLHXRKVEPKAIU-MWLCHTKSSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H]([NH3+])CCc1cn(C)c[nH+]1 308160741 572884400 /nfs/dbraw/zinc/88/44/00/572884400.db2.gz WQZISXIJYYGHEG-VIFPVBQESA-N 2 2 181.283 1.480 10 0 ADAELP C[C@@H](C[NH3+])[NH2+]Cc1cncc(Cl)c1 307968610 572884600 /nfs/dbraw/zinc/88/46/00/572884600.db2.gz FFGZCJXOAFAHDR-ZETCQYMHSA-N 2 2 199.685 1.172 10 0 ADAELP C[C@H](C[NH3+])[NH2+]Cc1cncc(Cl)c1 307968609 572884739 /nfs/dbraw/zinc/88/47/39/572884739.db2.gz FFGZCJXOAFAHDR-SSDOTTSWSA-N 2 2 199.685 1.172 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2C[C@@H]21 307968533 572885105 /nfs/dbraw/zinc/88/51/05/572885105.db2.gz VCBHDOHJZZTYIA-ZJUUUORDSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2C[C@@H]21 307968533 572885109 /nfs/dbraw/zinc/88/51/09/572885109.db2.gz VCBHDOHJZZTYIA-ZJUUUORDSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]([NH3+])C[N@H+](C)CCc1ccsc1 308166099 572885351 /nfs/dbraw/zinc/88/53/51/572885351.db2.gz ZMIPUCFGKSFWOO-VIFPVBQESA-N 2 2 198.335 1.570 10 0 ADAELP C[C@H]([NH3+])C[N@@H+](C)CCc1ccsc1 308166099 572885354 /nfs/dbraw/zinc/88/53/54/572885354.db2.gz ZMIPUCFGKSFWOO-VIFPVBQESA-N 2 2 198.335 1.570 10 0 ADAELP CC[NH2+][C@@H](C)c1c[nH+]c(CC)[nH]1 307968159 572885498 /nfs/dbraw/zinc/88/54/98/572885498.db2.gz ULKHPTIASMIVQC-ZETCQYMHSA-N 2 2 167.256 1.643 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2C[C@H]21 307968532 572885882 /nfs/dbraw/zinc/88/58/82/572885882.db2.gz VCBHDOHJZZTYIA-VHSXEESVSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CC[C@H]2C[C@H]21 307968532 572885886 /nfs/dbraw/zinc/88/58/86/572885886.db2.gz VCBHDOHJZZTYIA-VHSXEESVSA-N 2 2 168.284 1.079 10 0 ADAELP CC[NH2+][C@H](C)c1c[nH+]c(CC)[nH]1 307968158 572886464 /nfs/dbraw/zinc/88/64/64/572886464.db2.gz ULKHPTIASMIVQC-SSDOTTSWSA-N 2 2 167.256 1.643 10 0 ADAELP CC[NH+](CC)Cc1c[nH+]c(C)[nH]1 307970051 572889627 /nfs/dbraw/zinc/88/96/27/572889627.db2.gz GIXMQFNHGXIGCI-UHFFFAOYSA-N 2 2 167.256 1.560 10 0 ADAELP CC/C(=C\c1c[nH+]cn1C)C[NH2+]C 86214324 572890538 /nfs/dbraw/zinc/89/05/38/572890538.db2.gz XVHNCZDTZMXBJI-WEVVVXLNSA-N 2 2 179.267 1.433 10 0 ADAELP CCC[NH2+]C/C=C/c1c[nH+]cn1C 86227983 572890633 /nfs/dbraw/zinc/89/06/33/572890633.db2.gz YRRSDPGPKSKUAV-SNAWJCMRSA-N 2 2 179.267 1.433 10 0 ADAELP CC[NH2+]C/C(=C\c1c[nH+]cn1C)CC 86214519 572890765 /nfs/dbraw/zinc/89/07/65/572890765.db2.gz CBFKISUTCUITNT-POHAHGRESA-N 2 2 193.294 1.823 10 0 ADAELP CC(C)/C(=C\c1c[nH+]cn1C)C[NH3+] 86213629 572890780 /nfs/dbraw/zinc/89/07/80/572890780.db2.gz SVWVCMDGPXHORF-WTKPLQERSA-N 2 2 179.267 1.418 10 0 ADAELP C[NH2+]C/C(=C\c1c[nH+]cn1C)C(C)C 86214988 572890904 /nfs/dbraw/zinc/89/09/04/572890904.db2.gz SCKLNGUGTSNGLF-BJMVGYQFSA-N 2 2 193.294 1.679 10 0 ADAELP C[NH2+]C/C=C/c1c[nH+]cn1C1CC1 86227688 572890916 /nfs/dbraw/zinc/89/09/16/572890916.db2.gz PMPOQFCUTURYRX-NSCUHMNNSA-N 2 2 177.251 1.451 10 0 ADAELP CCC[NH2+]C/C=C/c1c[nH+]cn1CC 86227966 572890927 /nfs/dbraw/zinc/89/09/27/572890927.db2.gz CWMGSEBDSWWJQQ-AATRIKPKSA-N 2 2 193.294 1.916 10 0 ADAELP CC/C(=C\c1c[nH+]cn1C1CC1)C[NH3+] 86213389 572891142 /nfs/dbraw/zinc/89/11/42/572891142.db2.gz OOIZZVPWXMIHOO-WEVVVXLNSA-N 2 2 191.278 1.970 10 0 ADAELP CCn1c[nH+]cc1/C=C/C[NH2+]C(C)C 86228067 572891151 /nfs/dbraw/zinc/89/11/51/572891151.db2.gz RNHWUTVLKYXYRZ-AATRIKPKSA-N 2 2 193.294 1.914 10 0 ADAELP C[NH2+]C/C=C/c1c[nH+]cn1C(C)C 86227562 572891185 /nfs/dbraw/zinc/89/11/85/572891185.db2.gz QOCIZJKYXWUJTG-SNAWJCMRSA-N 2 2 179.267 1.697 10 0 ADAELP CC[NH2+]C/C=C/c1c[nH+]cn1CC 86227833 572891331 /nfs/dbraw/zinc/89/13/31/572891331.db2.gz URHQEJMOCNGUDU-AATRIKPKSA-N 2 2 179.267 1.526 10 0 ADAELP CCCn1c[nH+]cc1/C=C/C[NH2+]C 86227601 572891481 /nfs/dbraw/zinc/89/14/81/572891481.db2.gz OUIUXXCIGOYPRS-SNAWJCMRSA-N 2 2 179.267 1.526 10 0 ADAELP CC[NH2+]C/C=C/c1c[nH+]cn1C 86227854 572891621 /nfs/dbraw/zinc/89/16/21/572891621.db2.gz UCPRROCYAUTHGJ-SNAWJCMRSA-N 2 2 165.240 1.043 10 0 ADAELP CC/C(=C\c1c[nH+]cn1CC)C[NH3+] 86213332 572891758 /nfs/dbraw/zinc/89/17/58/572891758.db2.gz CHHRPPPLBBSKTG-WEVVVXLNSA-N 2 2 179.267 1.655 10 0 ADAELP CC(C)[NH2+]C/C=C/c1c[nH+]cn1C 86228078 572891776 /nfs/dbraw/zinc/89/17/76/572891776.db2.gz ZVZAOLDWTGOWMM-SNAWJCMRSA-N 2 2 179.267 1.431 10 0 ADAELP CCCn1c[nH+]cc1/C=C/C[NH2+]CC 86227756 572892630 /nfs/dbraw/zinc/89/26/30/572892630.db2.gz UOYVRILKXHJTNP-AATRIKPKSA-N 2 2 193.294 1.916 10 0 ADAELP CC[NH2+]C/C=C/c1c[nH+]cn1C1CC1 86227860 572892505 /nfs/dbraw/zinc/89/25/05/572892505.db2.gz JVEXVRQGYTUKHF-ONEGZZNKSA-N 2 2 191.278 1.841 10 0 ADAELP Cc1cc(C)c(C[NH3+])c(NC2CC2)[nH+]1 50423154 572892535 /nfs/dbraw/zinc/89/25/35/572892535.db2.gz ITXVPXNQTJPTNH-UHFFFAOYSA-N 2 2 191.278 1.731 10 0 ADAELP CC/C(=C\c1c[nH+]cn1CC)C[NH2+]C 86214289 572892769 /nfs/dbraw/zinc/89/27/69/572892769.db2.gz POJLIUWKTQIKGV-UXBLZVDNSA-N 2 2 193.294 1.916 10 0 ADAELP Cc1ccc([C@H]2CC[N@@H+](C)C[C@H]2[NH3+])[nH]1 257615253 572892871 /nfs/dbraw/zinc/89/28/71/572892871.db2.gz IYMVDSSLTGPHOQ-VHSXEESVSA-N 2 2 193.294 1.070 10 0 ADAELP Cc1ccc([C@H]2CC[N@H+](C)C[C@H]2[NH3+])[nH]1 257615253 572892872 /nfs/dbraw/zinc/89/28/72/572892872.db2.gz IYMVDSSLTGPHOQ-VHSXEESVSA-N 2 2 193.294 1.070 10 0 ADAELP CCCn1c[nH+]cc1/C=C(/C)C[NH3+] 86213846 572892884 /nfs/dbraw/zinc/89/28/84/572892884.db2.gz KJLZMLNHHILENI-UITAMQMPSA-N 2 2 179.267 1.655 10 0 ADAELP C/C(=C\c1c[nH+]cn1C)C[NH2+]C(C)C 86228984 572893424 /nfs/dbraw/zinc/89/34/24/572893424.db2.gz IKNWQHDUJYRLRO-BJMVGYQFSA-N 2 2 193.294 1.821 10 0 ADAELP Cn1c[nH+]cc1/C=C/C[NH2+]C(C)(C)C 86228272 572893453 /nfs/dbraw/zinc/89/34/53/572893453.db2.gz ZLOHDTDGYHKCTJ-AATRIKPKSA-N 2 2 193.294 1.821 10 0 ADAELP Cc1ccc([C@@H]2CC[N@@H+](C)C[C@H]2[NH3+])[nH]1 257615252 572893668 /nfs/dbraw/zinc/89/36/68/572893668.db2.gz IYMVDSSLTGPHOQ-NXEZZACHSA-N 2 2 193.294 1.070 10 0 ADAELP Cc1ccc([C@@H]2CC[N@H+](C)C[C@H]2[NH3+])[nH]1 257615252 572893671 /nfs/dbraw/zinc/89/36/71/572893671.db2.gz IYMVDSSLTGPHOQ-NXEZZACHSA-N 2 2 193.294 1.070 10 0 ADAELP C/C(=C\c1c[nH+]cn1C)C[NH2+]C1CC1 86229086 572895333 /nfs/dbraw/zinc/89/53/33/572895333.db2.gz WTQRGOPUBTXJKN-WEVVVXLNSA-N 2 2 191.278 1.575 10 0 ADAELP CCn1c[nH+]cc1/C=C/C[NH2+]C1CC1 86228162 572893908 /nfs/dbraw/zinc/89/39/08/572893908.db2.gz FKVPOGWSPPEUEB-ONEGZZNKSA-N 2 2 191.278 1.668 10 0 ADAELP CC(C)C[NH2+]C/C=C/c1c[nH+]cn1C 86228370 572893954 /nfs/dbraw/zinc/89/39/54/572893954.db2.gz YYCWFSAAKADNBX-SNAWJCMRSA-N 2 2 193.294 1.679 10 0 ADAELP CC[NH2+]C/C(C)=C/c1c[nH+]cn1C 86228778 572893961 /nfs/dbraw/zinc/89/39/61/572893961.db2.gz JYBWPOMXAMVVGQ-WEVVVXLNSA-N 2 2 179.267 1.433 10 0 ADAELP CCn1c[nH+]cc1/C=C(/C)C[NH2+]C 86228621 572894023 /nfs/dbraw/zinc/89/40/23/572894023.db2.gz XPNZDSGDUVCOTN-UITAMQMPSA-N 2 2 179.267 1.526 10 0 ADAELP C1CCC2(C1)C[NH2+]CC1(CCCC1)[NH2+]2 75597216 572894170 /nfs/dbraw/zinc/89/41/70/572894170.db2.gz YDMKJQZSDBLZNS-UHFFFAOYSA-N 2 2 194.322 1.805 10 0 ADAELP CCCn1c[nH+]cc1/C=C(/C)C[NH2+]C 86228542 572894599 /nfs/dbraw/zinc/89/45/99/572894599.db2.gz KQYVTLAQJBWSQF-POHAHGRESA-N 2 2 193.294 1.916 10 0 ADAELP Cn1c[nH+]cc1/C=C/C[NH2+]C1CC1 86228174 572894690 /nfs/dbraw/zinc/89/46/90/572894690.db2.gz BHPUGFIIDMFOCN-NSCUHMNNSA-N 2 2 177.251 1.185 10 0 ADAELP CCC[NH2+]C/C(C)=C/c1c[nH+]cn1C 86228882 572894799 /nfs/dbraw/zinc/89/47/99/572894799.db2.gz UAPIZNSWPYISBI-UXBLZVDNSA-N 2 2 193.294 1.823 10 0 ADAELP Cn1c[nH+]c(CC[C@H]([NH3+])C2CC2)c1 308164096 572895150 /nfs/dbraw/zinc/89/51/50/572895150.db2.gz YJHJMDMUFAOHRO-JTQLQIEISA-N 2 2 179.267 1.090 10 0 ADAELP CC[NH2+]C/C(C)=C/c1c[nH+]cn1CC 86228759 572895254 /nfs/dbraw/zinc/89/52/54/572895254.db2.gz UYOYQDKWFXMJPB-UXBLZVDNSA-N 2 2 193.294 1.916 10 0 ADAELP C/C=C\C[N@H+](C)C[C@H]1CCCC[NH2+]1 308163261 572895919 /nfs/dbraw/zinc/89/59/19/572895919.db2.gz OBTWCEKTELSBRT-DLRQAJBASA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@@H+](C)C[C@H]1CCCC[NH2+]1 308163261 572895920 /nfs/dbraw/zinc/89/59/20/572895920.db2.gz OBTWCEKTELSBRT-DLRQAJBASA-N 2 2 182.311 1.636 10 0 ADAELP C[C@H]1CC[C@@H]1[NH2+]CCc1[nH]cc[nH+]1 308163559 572896050 /nfs/dbraw/zinc/89/60/50/572896050.db2.gz YBPVXBQXPIMSMB-IUCAKERBSA-N 2 2 179.267 1.340 10 0 ADAELP C/C=C\C[N@H+](C)C[C@@H]1CCCC[NH2+]1 308163256 572896583 /nfs/dbraw/zinc/89/65/83/572896583.db2.gz OBTWCEKTELSBRT-BYCRGOAPSA-N 2 2 182.311 1.636 10 0 ADAELP C/C=C\C[N@@H+](C)C[C@@H]1CCCC[NH2+]1 308163256 572896586 /nfs/dbraw/zinc/89/65/86/572896586.db2.gz OBTWCEKTELSBRT-BYCRGOAPSA-N 2 2 182.311 1.636 10 0 ADAELP CC1(C)C([NH2+]CC[NH2+]C2CC2)C1(C)C 86241220 572898150 /nfs/dbraw/zinc/89/81/50/572898150.db2.gz IXEHDNGCJHRJAA-UHFFFAOYSA-N 2 2 196.338 1.763 10 0 ADAELP [NH3+][C@@H](c1cccs1)[C@H]1CCC[NH2+]1 71499178 572898214 /nfs/dbraw/zinc/89/82/14/572898214.db2.gz MTLJURFABJPARP-VXNVDRBHSA-N 2 2 182.292 1.500 10 0 ADAELP C[NH+](C)CC[NH2+]CC1C(C)(C)C1(C)C 86240022 572898497 /nfs/dbraw/zinc/89/84/97/572898497.db2.gz KDXBNKALUMLWBP-UHFFFAOYSA-N 2 2 198.354 1.820 10 0 ADAELP C[NH+](C)CC[NH2+]C1C(C)(C)C1(C)C 86240284 572899658 /nfs/dbraw/zinc/89/96/58/572899658.db2.gz RQUKYHTYONSICC-UHFFFAOYSA-N 2 2 184.327 1.572 10 0 ADAELP C[N@@H+]1CCC[C@@H]2CC(C)(C)[NH2+][C@@H]2C1 257621754 572900373 /nfs/dbraw/zinc/90/03/73/572900373.db2.gz ZUGLYQMHBXERGL-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CCC[C@@H]2CC(C)(C)[NH2+][C@@H]2C1 257621754 572900374 /nfs/dbraw/zinc/90/03/74/572900374.db2.gz ZUGLYQMHBXERGL-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+]1CCC[C@H]2CC(C)(C)[NH2+][C@@H]2C1 257621755 572900528 /nfs/dbraw/zinc/90/05/28/572900528.db2.gz ZUGLYQMHBXERGL-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]2CC(C)(C)[NH2+][C@@H]2C1 257621755 572900531 /nfs/dbraw/zinc/90/05/31/572900531.db2.gz ZUGLYQMHBXERGL-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[C@@H]([NH2+]C)c1c[nH+]c(C)n1C 308177376 572901001 /nfs/dbraw/zinc/90/10/01/572901001.db2.gz FVTUZWHZWWDZCA-SECBINFHSA-N 2 2 181.283 1.789 10 0 ADAELP CC(C)c1[nH+]cc2n1CC[N@H+](C)C2 75839112 572902253 /nfs/dbraw/zinc/90/22/53/572902253.db2.gz OCMVKKHWORRUGR-UHFFFAOYSA-N 2 2 179.267 1.452 10 0 ADAELP CC(C)c1c[nH+]c(CC[C@@H](C)[NH3+])[nH]1 86276542 572902560 /nfs/dbraw/zinc/90/25/60/572902560.db2.gz WLVSTMAUWGWABK-MRVPVSSYSA-N 2 2 181.283 1.813 10 0 ADAELP CC[C@@H](C[NH3+])c1[nH]cc(C(C)C)[nH+]1 86276552 572902995 /nfs/dbraw/zinc/90/29/95/572902995.db2.gz KPXWTJNJHOITIV-QMMMGPOBSA-N 2 2 181.283 1.985 10 0 ADAELP Cc1[nH+]c2c(n1C)CC[C@H]([NH+](C)C)C2 75838652 572903153 /nfs/dbraw/zinc/90/31/53/572903153.db2.gz CKXLRHSUKWMWME-VIFPVBQESA-N 2 2 193.294 1.147 10 0 ADAELP CC[C@@H](C)CC[NH2+][C@H]1CC[N@H+](C)C1 308179418 572903572 /nfs/dbraw/zinc/90/35/72/572903572.db2.gz BZOSRASZMIVPID-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)CC[NH2+][C@H]1CC[N@@H+](C)C1 308179418 572903574 /nfs/dbraw/zinc/90/35/74/572903574.db2.gz BZOSRASZMIVPID-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CCC(CC)[N@H+](C)[C@H]1CC[NH2+][C@@H]1C 308179862 572904240 /nfs/dbraw/zinc/90/42/40/572904240.db2.gz BYNIEHOGKXYCCZ-KOLCDFICSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(CC)[N@@H+](C)[C@H]1CC[NH2+][C@@H]1C 308179862 572904241 /nfs/dbraw/zinc/90/42/41/572904241.db2.gz BYNIEHOGKXYCCZ-KOLCDFICSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(CC)[N@H+](C)[C@@H]1CC[NH2+][C@H]1C 308179859 572904485 /nfs/dbraw/zinc/90/44/85/572904485.db2.gz BYNIEHOGKXYCCZ-GXSJLCMTSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(CC)[N@@H+](C)[C@@H]1CC[NH2+][C@H]1C 308179859 572904488 /nfs/dbraw/zinc/90/44/88/572904488.db2.gz BYNIEHOGKXYCCZ-GXSJLCMTSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)c1c[nH+]c(CC[C@H](C)[NH3+])[nH]1 86276543 572904505 /nfs/dbraw/zinc/90/45/05/572904505.db2.gz WLVSTMAUWGWABK-QMMMGPOBSA-N 2 2 181.283 1.813 10 0 ADAELP CC[C@H](C[NH3+])c1[nH]cc(C(C)C)[nH+]1 86276553 572904758 /nfs/dbraw/zinc/90/47/58/572904758.db2.gz KPXWTJNJHOITIV-MRVPVSSYSA-N 2 2 181.283 1.985 10 0 ADAELP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s1 308180245 572904804 /nfs/dbraw/zinc/90/48/04/572904804.db2.gz CFRJYMBYBULFRA-RNFRBKRXSA-N 2 2 199.323 1.277 10 0 ADAELP CCC(CC)[N@H+](C)[C@@H]1CC[NH2+][C@@H]1C 308179866 572905583 /nfs/dbraw/zinc/90/55/83/572905583.db2.gz BYNIEHOGKXYCCZ-MWLCHTKSSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(CC)[N@@H+](C)[C@@H]1CC[NH2+][C@@H]1C 308179866 572905587 /nfs/dbraw/zinc/90/55/87/572905587.db2.gz BYNIEHOGKXYCCZ-MWLCHTKSSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)CC[NH2+][C@@H]1CC[N@H+](C)C1 308179416 572905767 /nfs/dbraw/zinc/90/57/67/572905767.db2.gz BZOSRASZMIVPID-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)CC[NH2+][C@@H]1CC[N@@H+](C)C1 308179416 572905769 /nfs/dbraw/zinc/90/57/69/572905769.db2.gz BZOSRASZMIVPID-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1ncc(C[NH2+][C@H](C)[C@H](C)[NH3+])s1 308180244 572905807 /nfs/dbraw/zinc/90/58/07/572905807.db2.gz CFRJYMBYBULFRA-NKWVEPMBSA-N 2 2 199.323 1.277 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+](CCCF)C1 308184025 572909635 /nfs/dbraw/zinc/90/96/35/572909635.db2.gz INSZAUMIHSCHSF-JTQLQIEISA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]1C 50564928 572906989 /nfs/dbraw/zinc/90/69/89/572906989.db2.gz LXQUNVHBAYMRLF-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]1C 50564928 572906992 /nfs/dbraw/zinc/90/69/92/572906992.db2.gz LXQUNVHBAYMRLF-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 50564925 572907587 /nfs/dbraw/zinc/90/75/87/572907587.db2.gz QHBLQANHPDOFHQ-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 50564925 572907590 /nfs/dbraw/zinc/90/75/90/572907590.db2.gz QHBLQANHPDOFHQ-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C)[C@@H]1C 50564251 572907815 /nfs/dbraw/zinc/90/78/15/572907815.db2.gz DFBMHIIQBIKOFB-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](C)[C@@H]1C 50564251 572907816 /nfs/dbraw/zinc/90/78/16/572907816.db2.gz DFBMHIIQBIKOFB-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 50564924 572907854 /nfs/dbraw/zinc/90/78/54/572907854.db2.gz QHBLQANHPDOFHQ-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 50564924 572907855 /nfs/dbraw/zinc/90/78/55/572907855.db2.gz QHBLQANHPDOFHQ-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@H+](CCCF)C1 308184026 572908155 /nfs/dbraw/zinc/90/81/55/572908155.db2.gz INSZAUMIHSCHSF-SNVBAGLBSA-N 2 2 188.290 1.418 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@@H+](CCCF)C1 308184026 572908156 /nfs/dbraw/zinc/90/81/56/572908156.db2.gz INSZAUMIHSCHSF-SNVBAGLBSA-N 2 2 188.290 1.418 10 0 ADAELP CC[NH+](CC)C1(C[NH2+]C)CCCC1 308184442 572908290 /nfs/dbraw/zinc/90/82/90/572908290.db2.gz FBNLJPJZYHITJV-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CC(C)C[NH2+]CC[NH2+]CC(C)(C)F 308185119 572908892 /nfs/dbraw/zinc/90/88/92/572908892.db2.gz FEGHKEKPBMUFRB-UHFFFAOYSA-N 2 2 190.306 1.570 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+](CCCF)C1 308184025 572909632 /nfs/dbraw/zinc/90/96/32/572909632.db2.gz INSZAUMIHSCHSF-JTQLQIEISA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C[NH+](C)C 308184064 572909503 /nfs/dbraw/zinc/90/95/03/572909503.db2.gz IPSFFTPJYBFIDV-RKDXNWHRSA-N 2 2 188.315 1.079 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)[C@@H](C)CC(C)C 308184057 572909520 /nfs/dbraw/zinc/90/95/20/572909520.db2.gz IPDDTQLLNUYTGZ-WDEREUQCSA-N 2 2 186.343 1.818 10 0 ADAELP CC(C)[N@@H+]1CCC[C@H]([NH3+])[C@H]1C1CC1 250515029 572909588 /nfs/dbraw/zinc/90/95/88/572909588.db2.gz QCKGZGCDYSRNJA-WDEREUQCSA-N 2 2 182.311 1.597 10 0 ADAELP CC(C)[N@H+]1CCC[C@H]([NH3+])[C@H]1C1CC1 250515029 572909591 /nfs/dbraw/zinc/90/95/91/572909591.db2.gz QCKGZGCDYSRNJA-WDEREUQCSA-N 2 2 182.311 1.597 10 0 ADAELP C[NH2+][C@@H](C[NH+](C)C)[C@H](C)CC(C)C 308184055 572909608 /nfs/dbraw/zinc/90/96/08/572909608.db2.gz IPDDTQLLNUYTGZ-MNOVXSKESA-N 2 2 186.343 1.818 10 0 ADAELP C[NH2+][C@@H](C[NH+](C)C)[C@@H](C)CC(C)C 308184056 572909696 /nfs/dbraw/zinc/90/96/96/572909696.db2.gz IPDDTQLLNUYTGZ-QWRGUYRKSA-N 2 2 186.343 1.818 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)[C@H](C)CC(C)C 308184054 572910027 /nfs/dbraw/zinc/91/00/27/572910027.db2.gz IPDDTQLLNUYTGZ-GHMZBOCLSA-N 2 2 186.343 1.818 10 0 ADAELP CC[N@H+](C)C[C@H]([NH2+]C)C(C)(C)CC 308182462 572911260 /nfs/dbraw/zinc/91/12/60/572911260.db2.gz DKZOOZMEVLQONV-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP CC[N@@H+](C)C[C@H]([NH2+]C)C(C)(C)CC 308182462 572911263 /nfs/dbraw/zinc/91/12/63/572911263.db2.gz DKZOOZMEVLQONV-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP FCC[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 308182305 572911635 /nfs/dbraw/zinc/91/16/35/572911635.db2.gz HWNLBICQRQKJCA-SECBINFHSA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 308182305 572911638 /nfs/dbraw/zinc/91/16/38/572911638.db2.gz HWNLBICQRQKJCA-SECBINFHSA-N 2 2 186.274 1.030 10 0 ADAELP CC[N@H+](C)CC[NH2+]CC1(CC)CC1 308182223 572911619 /nfs/dbraw/zinc/91/16/19/572911619.db2.gz CYJZRALSIRUCJT-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CC[N@@H+](C)CC[NH2+]CC1(CC)CC1 308182223 572911622 /nfs/dbraw/zinc/91/16/22/572911622.db2.gz CYJZRALSIRUCJT-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CC[N@H+](C)C[C@@H]([NH2+]C)C(C)(C)CC 308182463 572911959 /nfs/dbraw/zinc/91/19/59/572911959.db2.gz DKZOOZMEVLQONV-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP CC[N@@H+](C)C[C@@H]([NH2+]C)C(C)(C)CC 308182463 572911960 /nfs/dbraw/zinc/91/19/60/572911960.db2.gz DKZOOZMEVLQONV-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP FCC[N@@H+]1CC[C@@H](C[NH2+]C2CC2)C1 308182306 572911786 /nfs/dbraw/zinc/91/17/86/572911786.db2.gz HWNLBICQRQKJCA-VIFPVBQESA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 308182306 572911789 /nfs/dbraw/zinc/91/17/89/572911789.db2.gz HWNLBICQRQKJCA-VIFPVBQESA-N 2 2 186.274 1.030 10 0 ADAELP C[C@H](C[NH2+]C1CC1)[C@@H](C)n1cc[nH+]c1 86312953 572911840 /nfs/dbraw/zinc/91/18/40/572911840.db2.gz FJQQBCYDBNFSTB-NXEZZACHSA-N 2 2 193.294 1.832 10 0 ADAELP C[NH2+]C[C@H](C)[C@@H](C)n1cc[nH+]c1 86312940 572912537 /nfs/dbraw/zinc/91/25/37/572912537.db2.gz FIUTYQCQJPTYMR-DTWKUNHWSA-N 2 2 167.256 1.300 10 0 ADAELP FCCC[NH2+]CCCn1cc[nH+]c1 308185835 572912991 /nfs/dbraw/zinc/91/29/91/572912991.db2.gz JRGZODWGKQJUCA-UHFFFAOYSA-N 2 2 185.246 1.222 10 0 ADAELP C[NH2+]C[C@@H](C)[C@@H](C)n1cc[nH+]c1 86312941 572913159 /nfs/dbraw/zinc/91/31/59/572913159.db2.gz FIUTYQCQJPTYMR-RKDXNWHRSA-N 2 2 167.256 1.300 10 0 ADAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])o1 308188112 572913384 /nfs/dbraw/zinc/91/33/84/572913384.db2.gz HEYCPVKYLASXOK-RKDXNWHRSA-N 2 2 182.267 1.413 10 0 ADAELP C[C@@H]([C@H](C)C[NH2+]C1CC1)n1cc[nH+]c1 86312955 572914284 /nfs/dbraw/zinc/91/42/84/572914284.db2.gz FJQQBCYDBNFSTB-ZJUUUORDSA-N 2 2 193.294 1.832 10 0 ADAELP C[N@H+]1Cc2cccc(F)c2[C@@H](C[NH3+])C1 57489374 572914780 /nfs/dbraw/zinc/91/47/80/572914780.db2.gz OMRUDBBITOCVOZ-VIFPVBQESA-N 2 2 194.253 1.313 10 0 ADAELP C[N@@H+]1Cc2cccc(F)c2[C@@H](C[NH3+])C1 57489374 572914783 /nfs/dbraw/zinc/91/47/83/572914783.db2.gz OMRUDBBITOCVOZ-VIFPVBQESA-N 2 2 194.253 1.313 10 0 ADAELP C[N@H+]1Cc2cccc(F)c2[C@H](C[NH3+])C1 57489371 572914834 /nfs/dbraw/zinc/91/48/34/572914834.db2.gz OMRUDBBITOCVOZ-SECBINFHSA-N 2 2 194.253 1.313 10 0 ADAELP C[N@@H+]1Cc2cccc(F)c2[C@H](C[NH3+])C1 57489371 572914838 /nfs/dbraw/zinc/91/48/38/572914838.db2.gz OMRUDBBITOCVOZ-SECBINFHSA-N 2 2 194.253 1.313 10 0 ADAELP C[N@H+]1Cc2cc(F)ccc2[C@H](C[NH3+])C1 57489367 572914885 /nfs/dbraw/zinc/91/48/85/572914885.db2.gz OJQTYRKYTLRFPA-SECBINFHSA-N 2 2 194.253 1.313 10 0 ADAELP C[N@@H+]1Cc2cc(F)ccc2[C@H](C[NH3+])C1 57489367 572914887 /nfs/dbraw/zinc/91/48/87/572914887.db2.gz OJQTYRKYTLRFPA-SECBINFHSA-N 2 2 194.253 1.313 10 0 ADAELP C[C@@H](C[NH2+]C1CC1)[C@@H](C)n1cc[nH+]c1 86312952 572915093 /nfs/dbraw/zinc/91/50/93/572915093.db2.gz FJQQBCYDBNFSTB-VHSXEESVSA-N 2 2 193.294 1.832 10 0 ADAELP COCCCc1[nH]c([C@@H](C)[NH3+])c[nH+]1 308188762 572915841 /nfs/dbraw/zinc/91/58/41/572915841.db2.gz LVTYCGYZXYQALS-SSDOTTSWSA-N 2 2 183.255 1.008 10 0 ADAELP COCCCc1[nH]c([C@H](C)[NH3+])c[nH+]1 308188764 572916229 /nfs/dbraw/zinc/91/62/29/572916229.db2.gz LVTYCGYZXYQALS-ZETCQYMHSA-N 2 2 183.255 1.008 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](CC2(C)CCC2)C1 235402737 572916874 /nfs/dbraw/zinc/91/68/74/572916874.db2.gz ZZLWNIZCRZJYMP-LLVKDONJSA-N 2 2 196.338 1.718 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](CC2(C)CCC2)C1 235402737 572916876 /nfs/dbraw/zinc/91/68/76/572916876.db2.gz ZZLWNIZCRZJYMP-LLVKDONJSA-N 2 2 196.338 1.718 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C(C)(C)C2CC2)C1 235402580 572917486 /nfs/dbraw/zinc/91/74/86/572917486.db2.gz HBBFKNHVGJIMFI-SNVBAGLBSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C(C)(C)C2CC2)C1 235402580 572917488 /nfs/dbraw/zinc/91/74/88/572917488.db2.gz HBBFKNHVGJIMFI-SNVBAGLBSA-N 2 2 196.338 1.716 10 0 ADAELP c1cn(-c2ccc(C3C[NH2+]C3)cc2)c[nH+]1 237995309 572917683 /nfs/dbraw/zinc/91/76/83/572917683.db2.gz CASQTCHFOYJJNS-UHFFFAOYSA-N 2 2 199.257 1.559 10 0 ADAELP Cc1c[nH+]c(C)c(N[C@@H](C)[C@@H](C)[NH3+])c1 404502240 572917716 /nfs/dbraw/zinc/91/77/16/572917716.db2.gz ZBRUZWULTNNMHY-BDAKNGLRSA-N 2 2 193.294 1.846 10 0 ADAELP C[N@H+]1CCC[C@@H]1[C@@H]([NH3+])Cc1ccco1 257656328 572918203 /nfs/dbraw/zinc/91/82/03/572918203.db2.gz DKIDVVWFRPIOQG-WDEREUQCSA-N 2 2 194.278 1.244 10 0 ADAELP C[N@@H+]1CCC[C@@H]1[C@@H]([NH3+])Cc1ccco1 257656328 572918202 /nfs/dbraw/zinc/91/82/02/572918202.db2.gz DKIDVVWFRPIOQG-WDEREUQCSA-N 2 2 194.278 1.244 10 0 ADAELP C[N@@H+]1CCC[C@@H]1[C@@H]([NH3+])Cc1ccoc1 257656355 572918554 /nfs/dbraw/zinc/91/85/54/572918554.db2.gz JREMOMCRUCGXFY-WDEREUQCSA-N 2 2 194.278 1.244 10 0 ADAELP C[N@H+]1CCC[C@@H]1[C@@H]([NH3+])Cc1ccoc1 257656355 572918558 /nfs/dbraw/zinc/91/85/58/572918558.db2.gz JREMOMCRUCGXFY-WDEREUQCSA-N 2 2 194.278 1.244 10 0 ADAELP C[N@@H+]1CCC[C@H]1[C@@H]([NH3+])Cc1ccco1 257656327 572918609 /nfs/dbraw/zinc/91/86/09/572918609.db2.gz DKIDVVWFRPIOQG-QWRGUYRKSA-N 2 2 194.278 1.244 10 0 ADAELP C[N@H+]1CCC[C@H]1[C@@H]([NH3+])Cc1ccco1 257656327 572918610 /nfs/dbraw/zinc/91/86/10/572918610.db2.gz DKIDVVWFRPIOQG-QWRGUYRKSA-N 2 2 194.278 1.244 10 0 ADAELP Cc1c[nH+]c(C)c(N[C@H](C)[C@@H](C)[NH3+])c1 404502243 572918652 /nfs/dbraw/zinc/91/86/52/572918652.db2.gz ZBRUZWULTNNMHY-RKDXNWHRSA-N 2 2 193.294 1.846 10 0 ADAELP Cc1c[nH+]c(C)c(N[C@@H](C)[C@H](C)[NH3+])c1 404502242 572918689 /nfs/dbraw/zinc/91/86/89/572918689.db2.gz ZBRUZWULTNNMHY-IUCAKERBSA-N 2 2 193.294 1.846 10 0 ADAELP Cc1c[nH+]c(C)c(N[C@H](C)[C@H](C)[NH3+])c1 404502241 572918762 /nfs/dbraw/zinc/91/87/62/572918762.db2.gz ZBRUZWULTNNMHY-DTWKUNHWSA-N 2 2 193.294 1.846 10 0 ADAELP CCCCC(=[NH2+])N1CC[NH+](C)CC1 86324202 572919100 /nfs/dbraw/zinc/91/91/00/572919100.db2.gz AITAFAOEZLWXNS-UHFFFAOYSA-N 2 2 183.299 1.401 10 0 ADAELP C[N@@H+]1CCC[C@H]1[C@@H]([NH3+])Cc1ccoc1 257656354 572919121 /nfs/dbraw/zinc/91/91/21/572919121.db2.gz JREMOMCRUCGXFY-QWRGUYRKSA-N 2 2 194.278 1.244 10 0 ADAELP C[N@H+]1CCC[C@H]1[C@@H]([NH3+])Cc1ccoc1 257656354 572919124 /nfs/dbraw/zinc/91/91/24/572919124.db2.gz JREMOMCRUCGXFY-QWRGUYRKSA-N 2 2 194.278 1.244 10 0 ADAELP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])c2ccon2)C1 257656365 572919250 /nfs/dbraw/zinc/91/92/50/572919250.db2.gz LJICLFNAPGWBLV-WCBMZHEXSA-N 2 2 195.266 1.016 10 0 ADAELP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])c2ccon2)C1 257656364 572919394 /nfs/dbraw/zinc/91/93/94/572919394.db2.gz LJICLFNAPGWBLV-PSASIEDQSA-N 2 2 195.266 1.016 10 0 ADAELP C[C@@H]1C[C@H](Nc2cccc[nH+]2)CC[NH2+]1 235411029 572919445 /nfs/dbraw/zinc/91/94/45/572919445.db2.gz YJBLPPJSDUPPIX-NXEZZACHSA-N 2 2 191.278 1.634 10 0 ADAELP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])c2cnoc2)C1 257656381 572919467 /nfs/dbraw/zinc/91/94/67/572919467.db2.gz PTJAKSZBFXGEOT-WCBMZHEXSA-N 2 2 195.266 1.016 10 0 ADAELP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])c2cnco2)C1 257656303 572919585 /nfs/dbraw/zinc/91/95/85/572919585.db2.gz AGJVCVRKIKTRLP-PSASIEDQSA-N 2 2 195.266 1.016 10 0 ADAELP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])c2cnoc2)C1 257656380 572919763 /nfs/dbraw/zinc/91/97/63/572919763.db2.gz PTJAKSZBFXGEOT-PSASIEDQSA-N 2 2 195.266 1.016 10 0 ADAELP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])c2cnco2)C1 257656304 572919816 /nfs/dbraw/zinc/91/98/16/572919816.db2.gz AGJVCVRKIKTRLP-WCBMZHEXSA-N 2 2 195.266 1.016 10 0 ADAELP CCCC[NH2+]CCc1cn(C)c[nH+]1 313277444 572922217 /nfs/dbraw/zinc/92/22/17/572922217.db2.gz ALCZVEYNJPSPQR-UHFFFAOYSA-N 2 2 181.283 1.352 10 0 ADAELP CCC[NH2+]CC[N@H+](C)CCCF 88025668 572931713 /nfs/dbraw/zinc/93/17/13/572931713.db2.gz LVDFMUVZPHDMJX-UHFFFAOYSA-N 2 2 176.279 1.277 10 0 ADAELP C[NH2+]C1(C[NH2+]CCF)CCCCC1 308193750 572923981 /nfs/dbraw/zinc/92/39/81/572923981.db2.gz LGNFKBPFEVREIO-UHFFFAOYSA-N 2 2 188.290 1.468 10 0 ADAELP [NH3+]C[C@@H]([NH3+])Cc1cc2ccccc2o1 141274740 572927371 /nfs/dbraw/zinc/92/73/71/572927371.db2.gz VKBMJFOGWGRRJM-VIFPVBQESA-N 2 2 190.246 1.261 10 0 ADAELP Cc1[nH+]c2cc(O)ccc2n1CC[NH3+] 75972683 572927454 /nfs/dbraw/zinc/92/74/54/572927454.db2.gz FEJXEISCRREYCQ-UHFFFAOYSA-N 2 2 191.234 1.009 10 0 ADAELP [NH3+]C[C@H]([NH3+])Cc1cc2ccccc2o1 141274930 572927545 /nfs/dbraw/zinc/92/75/45/572927545.db2.gz VKBMJFOGWGRRJM-SECBINFHSA-N 2 2 190.246 1.261 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCCCF)C[N@@H+]1C 308201208 572927976 /nfs/dbraw/zinc/92/79/76/572927976.db2.gz PZQBKGBUWCUITQ-NXEZZACHSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCCCF)C[N@H+]1C 308201208 572927979 /nfs/dbraw/zinc/92/79/79/572927979.db2.gz PZQBKGBUWCUITQ-NXEZZACHSA-N 2 2 188.290 1.418 10 0 ADAELP CC[C@@H]1CC[NH2+][C@H](C[NH2+]CCF)C1 308200677 572928055 /nfs/dbraw/zinc/92/80/55/572928055.db2.gz UXHBTYQFGLVWDE-ZJUUUORDSA-N 2 2 188.290 1.324 10 0 ADAELP CCC(CC)(C[NH2+]C)[NH+]1CCCC1 308207236 572928090 /nfs/dbraw/zinc/92/80/90/572928090.db2.gz UKEHIXHOBRVASC-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCCCF)C[N@@H+]1C 308201215 572929138 /nfs/dbraw/zinc/92/91/38/572929138.db2.gz PZQBKGBUWCUITQ-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP FCC[NH2+]C[C@@H]1CCCCCC[NH2+]1 308202246 572928332 /nfs/dbraw/zinc/92/83/32/572928332.db2.gz WBJQFIKPKYZAHK-JTQLQIEISA-N 2 2 188.290 1.468 10 0 ADAELP CC[C@@](C)(C[NH3+])[NH2+]Cc1ccoc1 308201345 572928715 /nfs/dbraw/zinc/92/87/15/572928715.db2.gz VLVRTSOYZPMZAS-JTQLQIEISA-N 2 2 182.267 1.497 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CCCCF)C[N@@H+]1C 308201210 572928739 /nfs/dbraw/zinc/92/87/39/572928739.db2.gz PZQBKGBUWCUITQ-UWVGGRQHSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CCCCF)C[N@H+]1C 308201210 572928743 /nfs/dbraw/zinc/92/87/43/572928743.db2.gz PZQBKGBUWCUITQ-UWVGGRQHSA-N 2 2 188.290 1.418 10 0 ADAELP CC1(C)CCC[NH2+][C@H]1C[NH2+]CCF 308201320 572928751 /nfs/dbraw/zinc/92/87/51/572928751.db2.gz VLDTZJVTNXNZTB-VIFPVBQESA-N 2 2 188.290 1.324 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCCF 88024777 572930146 /nfs/dbraw/zinc/93/01/46/572930146.db2.gz ZQWJARADOFJJGF-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CCCF 88024777 572930147 /nfs/dbraw/zinc/93/01/47/572930147.db2.gz ZQWJARADOFJJGF-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP Cc1cnc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s1 308202247 572928872 /nfs/dbraw/zinc/92/88/72/572928872.db2.gz QNWVEFJRPCCCGU-HTQZYQBOSA-N 2 2 199.323 1.277 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCCCF)C[N@H+]1C 308201215 572929141 /nfs/dbraw/zinc/92/91/41/572929141.db2.gz PZQBKGBUWCUITQ-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP FCC[NH2+]C[C@H]1CCCCCC[NH2+]1 308202248 572929168 /nfs/dbraw/zinc/92/91/68/572929168.db2.gz WBJQFIKPKYZAHK-SNVBAGLBSA-N 2 2 188.290 1.468 10 0 ADAELP CC1(C)CCC[NH2+][C@@H]1C[NH2+]CCF 308201318 572929420 /nfs/dbraw/zinc/92/94/20/572929420.db2.gz VLDTZJVTNXNZTB-SECBINFHSA-N 2 2 188.290 1.324 10 0 ADAELP CC[C@](C)(C[NH3+])[NH2+]Cc1ccoc1 308201346 572929591 /nfs/dbraw/zinc/92/95/91/572929591.db2.gz VLVRTSOYZPMZAS-SNVBAGLBSA-N 2 2 182.267 1.497 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CCCCF)C[N@@H+]1C 308201213 572929817 /nfs/dbraw/zinc/92/98/17/572929817.db2.gz PZQBKGBUWCUITQ-VHSXEESVSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CCCCF)C[N@H+]1C 308201213 572929820 /nfs/dbraw/zinc/92/98/20/572929820.db2.gz PZQBKGBUWCUITQ-VHSXEESVSA-N 2 2 188.290 1.418 10 0 ADAELP CC[C@H]1CC[NH2+][C@@H](C[NH2+]CCF)C1 308200676 572929964 /nfs/dbraw/zinc/92/99/64/572929964.db2.gz UXHBTYQFGLVWDE-VHSXEESVSA-N 2 2 188.290 1.324 10 0 ADAELP FCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 88024785 572930198 /nfs/dbraw/zinc/93/01/98/572930198.db2.gz GNARSOBOHAEEOE-SECBINFHSA-N 2 2 186.274 1.172 10 0 ADAELP FCCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 88024785 572930200 /nfs/dbraw/zinc/93/02/00/572930200.db2.gz GNARSOBOHAEEOE-SECBINFHSA-N 2 2 186.274 1.172 10 0 ADAELP Cc1ncsc1C[NH2+]C(C)(C)C[NH3+] 308202302 572930258 /nfs/dbraw/zinc/93/02/58/572930258.db2.gz WDBOOZAHPUUVEA-UHFFFAOYSA-N 2 2 199.323 1.278 10 0 ADAELP FCCC[NH2+]CC[NH+]1CCCC1 88024889 572930382 /nfs/dbraw/zinc/93/03/82/572930382.db2.gz AOTKKLWRKWPSJZ-UHFFFAOYSA-N 2 2 174.263 1.031 10 0 ADAELP FCCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 88024784 572930406 /nfs/dbraw/zinc/93/04/06/572930406.db2.gz GNARSOBOHAEEOE-VIFPVBQESA-N 2 2 186.274 1.172 10 0 ADAELP FCCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 88024784 572930410 /nfs/dbraw/zinc/93/04/10/572930410.db2.gz GNARSOBOHAEEOE-VIFPVBQESA-N 2 2 186.274 1.172 10 0 ADAELP CC[C@@H](C)[C@H](C[NH+](C)C)[NH2+]C 86392900 572930545 /nfs/dbraw/zinc/93/05/45/572930545.db2.gz JEPOTNOSYCDVBQ-BDAKNGLRSA-N 2 2 158.289 1.182 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CCCF 88024778 572930659 /nfs/dbraw/zinc/93/06/59/572930659.db2.gz ZQWJARADOFJJGF-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+]CCCF 88024778 572930662 /nfs/dbraw/zinc/93/06/62/572930662.db2.gz ZQWJARADOFJJGF-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 308202257 572930700 /nfs/dbraw/zinc/93/07/00/572930700.db2.gz QNWVEFJRPCCCGU-SFYZADRCSA-N 2 2 199.323 1.277 10 0 ADAELP Cc1cnc(C[NH2+][C@@H](C)[C@H](C)[NH3+])s1 308202262 572930708 /nfs/dbraw/zinc/93/07/08/572930708.db2.gz QNWVEFJRPCCCGU-YUMQZZPRSA-N 2 2 199.323 1.277 10 0 ADAELP FCCC[NH2+]CCCCn1cc[nH+]c1 88024803 572931141 /nfs/dbraw/zinc/93/11/41/572931141.db2.gz HIVHMNJOHHVBBD-UHFFFAOYSA-N 2 2 199.273 1.613 10 0 ADAELP C[N@H+](CC[NH2+]CCCF)C1CC1 88024909 572931293 /nfs/dbraw/zinc/93/12/93/572931293.db2.gz HSLXHWGSVIXUGQ-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP C[N@@H+](CC[NH2+]CCCF)C1CC1 88024909 572931295 /nfs/dbraw/zinc/93/12/95/572931295.db2.gz HSLXHWGSVIXUGQ-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP CCC[NH2+][C@@H](C[NH+](C)C)[C@@H](C)CC 86392911 572931548 /nfs/dbraw/zinc/93/15/48/572931548.db2.gz CLDWMZJRMIONMY-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)CCCF 88025668 572931717 /nfs/dbraw/zinc/93/17/17/572931717.db2.gz LVDFMUVZPHDMJX-UHFFFAOYSA-N 2 2 176.279 1.277 10 0 ADAELP CCC[NH2+][C@H](C[NH+](C)C)[C@H](C)CC 86392917 572931719 /nfs/dbraw/zinc/93/17/19/572931719.db2.gz CLDWMZJRMIONMY-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)[C@@H](C[NH+](C)C)[NH2+]C 86392898 572931843 /nfs/dbraw/zinc/93/18/43/572931843.db2.gz JEPOTNOSYCDVBQ-DTWKUNHWSA-N 2 2 158.289 1.182 10 0 ADAELP CC[C@@H](C)[C@@H](C[NH+](C)C)[NH2+]C 86392896 572931874 /nfs/dbraw/zinc/93/18/74/572931874.db2.gz JEPOTNOSYCDVBQ-RKDXNWHRSA-N 2 2 158.289 1.182 10 0 ADAELP CC[NH2+][C@H](C[NH+](C)C)[C@H](C)CC 86392903 572932016 /nfs/dbraw/zinc/93/20/16/572932016.db2.gz NEMMSZMLWMCPSJ-NXEZZACHSA-N 2 2 172.316 1.572 10 0 ADAELP CCC[NH2+][C@H](C[NH+](C)C)[C@@H](C)CC 86392913 572932206 /nfs/dbraw/zinc/93/22/06/572932206.db2.gz CLDWMZJRMIONMY-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)[C@H](C[NH+](C)C)[NH2+]C 86392901 572932501 /nfs/dbraw/zinc/93/25/01/572932501.db2.gz JEPOTNOSYCDVBQ-IUCAKERBSA-N 2 2 158.289 1.182 10 0 ADAELP CCC[NH2+][C@@H](C[NH+](C)C)[C@H](C)CC 86392914 572932692 /nfs/dbraw/zinc/93/26/92/572932692.db2.gz CLDWMZJRMIONMY-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@@H](C[NH+](C)C)[C@H](C)CC 86392907 572932728 /nfs/dbraw/zinc/93/27/28/572932728.db2.gz NEMMSZMLWMCPSJ-ZJUUUORDSA-N 2 2 172.316 1.572 10 0 ADAELP CC[NH2+][C@H](C[NH+](C)C)[C@@H](C)CC 86392905 572932855 /nfs/dbraw/zinc/93/28/55/572932855.db2.gz NEMMSZMLWMCPSJ-VHSXEESVSA-N 2 2 172.316 1.572 10 0 ADAELP C[N@H+](CCCF)[C@@H]1CCC[NH2+]C1 88026357 572933080 /nfs/dbraw/zinc/93/30/80/572933080.db2.gz QHCSQEAMISKBFA-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP C[N@@H+](CCCF)[C@@H]1CCC[NH2+]C1 88026357 572933083 /nfs/dbraw/zinc/93/30/83/572933083.db2.gz QHCSQEAMISKBFA-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP C[N@H+](CCCF)[C@H]1CCC[NH2+]C1 88026358 572933200 /nfs/dbraw/zinc/93/32/00/572933200.db2.gz QHCSQEAMISKBFA-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP C[N@@H+](CCCF)[C@H]1CCC[NH2+]C1 88026358 572933202 /nfs/dbraw/zinc/93/32/02/572933202.db2.gz QHCSQEAMISKBFA-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP CC(C)C[NH2+]CC[N@H+](C)CCCF 88025670 572933223 /nfs/dbraw/zinc/93/32/23/572933223.db2.gz DQXXWFDPZHWQKM-UHFFFAOYSA-N 2 2 190.306 1.523 10 0 ADAELP CC(C)C[NH2+]CC[N@@H+](C)CCCF 88025670 572933225 /nfs/dbraw/zinc/93/32/25/572933225.db2.gz DQXXWFDPZHWQKM-UHFFFAOYSA-N 2 2 190.306 1.523 10 0 ADAELP FCCC[NH2+]CC[NH+]1CCCCC1 88024754 572934828 /nfs/dbraw/zinc/93/48/28/572934828.db2.gz ARVZMMIYIHBYSJ-UHFFFAOYSA-N 2 2 188.290 1.422 10 0 ADAELP CCC[C@@H](C[NH3+])[NH2+]Cc1ccco1 308206414 572935018 /nfs/dbraw/zinc/93/50/18/572935018.db2.gz IHIQMLANUVXUDP-VIFPVBQESA-N 2 2 182.267 1.497 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CCCF 88024697 572935331 /nfs/dbraw/zinc/93/53/31/572935331.db2.gz VNHSEDRGYMJLAB-JTQLQIEISA-N 2 2 190.306 1.522 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCCF 88024699 572935509 /nfs/dbraw/zinc/93/55/09/572935509.db2.gz QTTQPMFPDHBAOI-VIFPVBQESA-N 2 2 185.246 1.221 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H]1CC[NH2+][C@H]1C 308205597 572935917 /nfs/dbraw/zinc/93/59/17/572935917.db2.gz HOPHBOLZCBBXCA-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H]1CC[NH2+][C@H]1C 308205597 572935919 /nfs/dbraw/zinc/93/59/19/572935919.db2.gz HOPHBOLZCBBXCA-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH+](C)C(C)(C)C[NH2+]CCCF 88024766 572936088 /nfs/dbraw/zinc/93/60/88/572936088.db2.gz RCKPDGPFGLPGKZ-UHFFFAOYSA-N 2 2 176.279 1.276 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CCCF 88024700 572936126 /nfs/dbraw/zinc/93/61/26/572936126.db2.gz QTTQPMFPDHBAOI-SECBINFHSA-N 2 2 185.246 1.221 10 0 ADAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCCF 88024696 572936391 /nfs/dbraw/zinc/93/63/91/572936391.db2.gz VNHSEDRGYMJLAB-SNVBAGLBSA-N 2 2 190.306 1.522 10 0 ADAELP C[C@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 223150764 572936703 /nfs/dbraw/zinc/93/67/03/572936703.db2.gz TWJOKYWMGUSAAK-JLIMGVALSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 223150764 572936705 /nfs/dbraw/zinc/93/67/05/572936705.db2.gz TWJOKYWMGUSAAK-JLIMGVALSA-N 2 2 168.284 1.077 10 0 ADAELP CC[C@H](C)C[N@H+](CC)C[C@@H](C)[NH2+]C 86437282 572937357 /nfs/dbraw/zinc/93/73/57/572937357.db2.gz RTTBETGANUVKAG-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)C[N@@H+](CC)C[C@@H](C)[NH2+]C 86437282 572937361 /nfs/dbraw/zinc/93/73/61/572937361.db2.gz RTTBETGANUVKAG-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H]([NH3+])c1c[nH+]cn1CCCF 308195262 572938069 /nfs/dbraw/zinc/93/80/69/572938069.db2.gz QPEFZPQMWBSPQR-MRVPVSSYSA-N 2 2 185.246 1.653 10 0 ADAELP C[C@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 223150872 572939208 /nfs/dbraw/zinc/93/92/08/572939208.db2.gz TWJOKYWMGUSAAK-SGIHWFKDSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 223150872 572939210 /nfs/dbraw/zinc/93/92/10/572939210.db2.gz TWJOKYWMGUSAAK-SGIHWFKDSA-N 2 2 168.284 1.077 10 0 ADAELP CC[C@H](C)C[N@H+](CC)[C@@H](C)C[NH2+]C 86438977 572939306 /nfs/dbraw/zinc/93/93/06/572939306.db2.gz KCDYXZWOJQBSFF-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)C[N@@H+](CC)[C@@H](C)C[NH2+]C 86438977 572939308 /nfs/dbraw/zinc/93/93/08/572939308.db2.gz KCDYXZWOJQBSFF-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C)C[N@H+](CC)CC(N)=[NH2+] 86437792 572939335 /nfs/dbraw/zinc/93/93/35/572939335.db2.gz COEPPURKJKGFBS-MRVPVSSYSA-N 2 2 171.288 1.290 10 0 ADAELP CC[C@@H](C)C[N@@H+](CC)CC(N)=[NH2+] 86437792 572939336 /nfs/dbraw/zinc/93/93/36/572939336.db2.gz COEPPURKJKGFBS-MRVPVSSYSA-N 2 2 171.288 1.290 10 0 ADAELP C[C@@H](Cc1cccs1)[N@H+](C)CC[NH3+] 86440658 572939364 /nfs/dbraw/zinc/93/93/64/572939364.db2.gz RRBWRAXRSFSDGP-VIFPVBQESA-N 2 2 198.335 1.570 10 0 ADAELP C[C@@H](Cc1cccs1)[N@@H+](C)CC[NH3+] 86440658 572939366 /nfs/dbraw/zinc/93/93/66/572939366.db2.gz RRBWRAXRSFSDGP-VIFPVBQESA-N 2 2 198.335 1.570 10 0 ADAELP C[C@H](Cc1cccs1)[N@H+](C)CC[NH3+] 86440660 572939519 /nfs/dbraw/zinc/93/95/19/572939519.db2.gz RRBWRAXRSFSDGP-SECBINFHSA-N 2 2 198.335 1.570 10 0 ADAELP C[C@H](Cc1cccs1)[N@@H+](C)CC[NH3+] 86440660 572939522 /nfs/dbraw/zinc/93/95/22/572939522.db2.gz RRBWRAXRSFSDGP-SECBINFHSA-N 2 2 198.335 1.570 10 0 ADAELP CC[C@H](C)C[N@H+](CC)CC(N)=[NH2+] 86437794 572939543 /nfs/dbraw/zinc/93/95/43/572939543.db2.gz COEPPURKJKGFBS-QMMMGPOBSA-N 2 2 171.288 1.290 10 0 ADAELP CC[C@H](C)C[N@@H+](CC)CC(N)=[NH2+] 86437794 572939545 /nfs/dbraw/zinc/93/95/45/572939545.db2.gz COEPPURKJKGFBS-QMMMGPOBSA-N 2 2 171.288 1.290 10 0 ADAELP CCCC1CC[NH+](CC[NH2+]C)CC1 50893633 572939581 /nfs/dbraw/zinc/93/95/81/572939581.db2.gz LMFQTYVCPKGOGS-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C[NH2+]C 86438975 572940015 /nfs/dbraw/zinc/94/00/15/572940015.db2.gz KCDYXZWOJQBSFF-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP C[NH2+][C@H]1CCc2[nH+]cn(C(C)C)c2C1 76088125 572941788 /nfs/dbraw/zinc/94/17/88/572941788.db2.gz ZCHTXKGMWBMMHB-VIFPVBQESA-N 2 2 193.294 1.541 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC(F)F 688714498 572941857 /nfs/dbraw/zinc/94/18/57/572941857.db2.gz ADVIIKMLFFIUNF-JGVFFNPUSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCC(F)F 688714498 572941858 /nfs/dbraw/zinc/94/18/58/572941858.db2.gz ADVIIKMLFFIUNF-JGVFFNPUSA-N 2 2 192.253 1.453 10 0 ADAELP C[NH2+][C@H]1CCCc2[nH+]c(C)n(C)c21 76089589 572942268 /nfs/dbraw/zinc/94/22/68/572942268.db2.gz ZFSPCDXYIILFJU-QMMMGPOBSA-N 2 2 179.267 1.325 10 0 ADAELP C[NH2+][C@@H]1CCc2[nH+]cn(C(C)C)c2C1 76088121 572942291 /nfs/dbraw/zinc/94/22/91/572942291.db2.gz ZCHTXKGMWBMMHB-SECBINFHSA-N 2 2 193.294 1.541 10 0 ADAELP Cc1[nH]c2c([nH+]1)C[C@@H]([NH+](C)C)CC2 76089162 572942331 /nfs/dbraw/zinc/94/23/31/572942331.db2.gz ILJLJIRSXMKINV-QMMMGPOBSA-N 2 2 179.267 1.137 10 0 ADAELP CC[NH2+][C@@H](C[NH+](C)C)C(C)(C)CC 308198370 572942624 /nfs/dbraw/zinc/94/26/24/572942624.db2.gz OFBDHOSDSNVJHT-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP Cc1[nH]c2c([nH+]1)C[C@H]([NH+](C)C)CC2 76089160 572942869 /nfs/dbraw/zinc/94/28/69/572942869.db2.gz ILJLJIRSXMKINV-MRVPVSSYSA-N 2 2 179.267 1.137 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC(F)F 688714496 572942895 /nfs/dbraw/zinc/94/28/95/572942895.db2.gz ADVIIKMLFFIUNF-HTQZYQBOSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCC(F)F 688714496 572942897 /nfs/dbraw/zinc/94/28/97/572942897.db2.gz ADVIIKMLFFIUNF-HTQZYQBOSA-N 2 2 192.253 1.453 10 0 ADAELP CC(C)(C)n1c[nH+]c2c1CC[C@H]([NH3+])C2 76094776 572943011 /nfs/dbraw/zinc/94/30/11/572943011.db2.gz WJEXLYWMCWXOQK-QMMMGPOBSA-N 2 2 193.294 1.454 10 0 ADAELP CC[NH2+][C@H](C[NH+](C)C)C(C)(C)CC 308198371 572943013 /nfs/dbraw/zinc/94/30/13/572943013.db2.gz OFBDHOSDSNVJHT-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH2+][C@@H]1CCc2c([nH+]cn2C(C)C)C1 76088118 572943122 /nfs/dbraw/zinc/94/31/22/572943122.db2.gz VXMNENPVKDPUTD-SECBINFHSA-N 2 2 193.294 1.541 10 0 ADAELP C[NH2+]C[C@H]1CCCc2[nH]c(C)[nH+]c21 76089317 572943960 /nfs/dbraw/zinc/94/39/60/572943960.db2.gz WPKIOWXZASOXDV-MRVPVSSYSA-N 2 2 179.267 1.357 10 0 ADAELP [NH3+][C@H]1CCc2c([nH+]cn2C2CC2)C1 76094760 572943965 /nfs/dbraw/zinc/94/39/65/572943965.db2.gz GPLVNITUJMESGW-ZETCQYMHSA-N 2 2 177.251 1.034 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCC(F)F 688714506 572943974 /nfs/dbraw/zinc/94/39/74/572943974.db2.gz ADVIIKMLFFIUNF-YUMQZZPRSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCC(F)F 688714506 572943976 /nfs/dbraw/zinc/94/39/76/572943976.db2.gz ADVIIKMLFFIUNF-YUMQZZPRSA-N 2 2 192.253 1.453 10 0 ADAELP C[NH2+]C[C@H]1CCc2[nH]c(C)[nH+]c2C1 76089309 572943981 /nfs/dbraw/zinc/94/39/81/572943981.db2.gz QLRUHBVKRSNPNX-QMMMGPOBSA-N 2 2 179.267 1.042 10 0 ADAELP C[NH2+][C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 76090671 572944015 /nfs/dbraw/zinc/94/40/15/572944015.db2.gz GCEATQNTBSNCJK-MRVPVSSYSA-N 2 2 193.294 1.610 10 0 ADAELP C[NH2+][C@H]1CCc2c([nH+]cn2C(C)C)C1 76088115 572944098 /nfs/dbraw/zinc/94/40/98/572944098.db2.gz VXMNENPVKDPUTD-VIFPVBQESA-N 2 2 193.294 1.541 10 0 ADAELP [NH3+][C@@H]1CCc2c([nH+]cn2C2CC2)C1 76094763 572944161 /nfs/dbraw/zinc/94/41/61/572944161.db2.gz GPLVNITUJMESGW-SSDOTTSWSA-N 2 2 177.251 1.034 10 0 ADAELP C[NH2+]C[C@@H]1CCc2[nH]c(C)[nH+]c2C1 76089313 572944195 /nfs/dbraw/zinc/94/41/95/572944195.db2.gz QLRUHBVKRSNPNX-MRVPVSSYSA-N 2 2 179.267 1.042 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@H+](C[C@@]2(C)CCC[NH2+]2)C1 222611027 572944284 /nfs/dbraw/zinc/94/42/84/572944284.db2.gz USTTXBOJZUHIIP-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@]2(C)CCC[NH2+]2)C1 222611027 572944287 /nfs/dbraw/zinc/94/42/87/572944287.db2.gz USTTXBOJZUHIIP-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCCc2[nH+]c(C)n(C)c21 76089587 572944472 /nfs/dbraw/zinc/94/44/72/572944472.db2.gz ZFSPCDXYIILFJU-MRVPVSSYSA-N 2 2 179.267 1.325 10 0 ADAELP CC[C@H](C)C[N@@H+](C)CC1([NH3+])CCC1 88051737 572945578 /nfs/dbraw/zinc/94/55/78/572945578.db2.gz BQOCOVSYFRNRDT-JTQLQIEISA-N 2 2 184.327 1.846 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1C[C@@]1(C)CCC[NH2+]1 222611153 572944670 /nfs/dbraw/zinc/94/46/70/572944670.db2.gz USTTXBOJZUHIIP-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@]1(C)CCC[NH2+]1 222611153 572944672 /nfs/dbraw/zinc/94/46/72/572944672.db2.gz USTTXBOJZUHIIP-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 76090674 572944980 /nfs/dbraw/zinc/94/49/80/572944980.db2.gz GCEATQNTBSNCJK-QMMMGPOBSA-N 2 2 193.294 1.610 10 0 ADAELP CC(C)(C)n1c[nH+]c2c1CC[C@@H]([NH3+])C2 76094779 572945060 /nfs/dbraw/zinc/94/50/60/572945060.db2.gz WJEXLYWMCWXOQK-MRVPVSSYSA-N 2 2 193.294 1.454 10 0 ADAELP CCC(CC)[N@H+](C)CC1([NH3+])CCC1 88051778 572945731 /nfs/dbraw/zinc/94/57/31/572945731.db2.gz BLCLVVHLFVHTPJ-UHFFFAOYSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@H+](CC)CC1([NH3+])CCC1 88051714 572945388 /nfs/dbraw/zinc/94/53/88/572945388.db2.gz AVBBCOCQDATQLU-UHFFFAOYSA-N 2 2 170.300 1.600 10 0 ADAELP CCC[N@@H+](CC)CC1([NH3+])CCC1 88051714 572945390 /nfs/dbraw/zinc/94/53/90/572945390.db2.gz AVBBCOCQDATQLU-UHFFFAOYSA-N 2 2 170.300 1.600 10 0 ADAELP C[N@H+](Cc1ccco1)CC1([NH3+])CCC1 88051747 572945412 /nfs/dbraw/zinc/94/54/12/572945412.db2.gz GOCCYXOSEAYSNP-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP C[N@@H+](Cc1ccco1)CC1([NH3+])CCC1 88051747 572945414 /nfs/dbraw/zinc/94/54/14/572945414.db2.gz GOCCYXOSEAYSNP-UHFFFAOYSA-N 2 2 194.278 1.593 10 0 ADAELP CC(C)[C@@H](C)[N@H+](C)CC1([NH3+])CCC1 88051774 572945478 /nfs/dbraw/zinc/94/54/78/572945478.db2.gz VVXJKGZXTPHMCT-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@@H](C)[N@@H+](C)CC1([NH3+])CCC1 88051774 572945481 /nfs/dbraw/zinc/94/54/81/572945481.db2.gz VVXJKGZXTPHMCT-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C)[N@H+](C)CC1([NH3+])CCC1 88051781 572945505 /nfs/dbraw/zinc/94/55/05/572945505.db2.gz MLBVZULWJCEBIY-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CCC[C@H](C)[N@@H+](C)CC1([NH3+])CCC1 88051781 572945508 /nfs/dbraw/zinc/94/55/08/572945508.db2.gz MLBVZULWJCEBIY-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CC(C)C[N@H+](C)CC1([NH3+])CCC1 88051722 572945687 /nfs/dbraw/zinc/94/56/87/572945687.db2.gz IYABPZMRZPQPRJ-UHFFFAOYSA-N 2 2 170.300 1.456 10 0 ADAELP CC(C)C[N@@H+](C)CC1([NH3+])CCC1 88051722 572945689 /nfs/dbraw/zinc/94/56/89/572945689.db2.gz IYABPZMRZPQPRJ-UHFFFAOYSA-N 2 2 170.300 1.456 10 0 ADAELP CC[C@H](C)C[N@H+](C)CC1([NH3+])CCC1 88051737 572945576 /nfs/dbraw/zinc/94/55/76/572945576.db2.gz BQOCOVSYFRNRDT-JTQLQIEISA-N 2 2 184.327 1.846 10 0 ADAELP C[C@@H](C1CC1)[N@H+](C)CC1([NH3+])CCC1 88051770 572945598 /nfs/dbraw/zinc/94/55/98/572945598.db2.gz QKYNWSXZZYJUPZ-VIFPVBQESA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H](C1CC1)[N@@H+](C)CC1([NH3+])CCC1 88051770 572945600 /nfs/dbraw/zinc/94/56/00/572945600.db2.gz QKYNWSXZZYJUPZ-VIFPVBQESA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@H+](CC1([NH3+])CCC1)C(C)C 88051706 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10 0 ADAELP Cc1cccc([C@H]2[NH2+]CCC[C@@H]2[NH3+])c1 58521347 572954007 /nfs/dbraw/zinc/95/40/07/572954007.db2.gz MOLPGDWVPGNJPK-NWDGAFQWSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1cccc([C@H]2[NH2+]CCC[C@H]2[NH3+])c1 58521345 572954046 /nfs/dbraw/zinc/95/40/46/572954046.db2.gz MOLPGDWVPGNJPK-VXGBXAGGSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1ccccc1[C@H]1[NH2+]CCC[C@@H]1[NH3+] 58521339 572954115 /nfs/dbraw/zinc/95/41/15/572954115.db2.gz IGVZUZWGRQYQCH-NWDGAFQWSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1cccc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])c1 58521348 572954316 /nfs/dbraw/zinc/95/43/16/572954316.db2.gz MOLPGDWVPGNJPK-RYUDHWBXSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1ccc([C@@H]2[NH2+]CCC[C@H]2[NH3+])cc1 58521351 572954659 /nfs/dbraw/zinc/95/46/59/572954659.db2.gz PXKWUKUIDAUOCI-NEPJUHHUSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1cccc([C@@H]2[NH2+]CCC[C@H]2[NH3+])c1 58521346 572954681 /nfs/dbraw/zinc/95/46/81/572954681.db2.gz MOLPGDWVPGNJPK-NEPJUHHUSA-N 2 2 190.290 1.747 10 0 ADAELP 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/nfs/dbraw/zinc/95/51/62/572955162.db2.gz YPTHBYSOEOQOCP-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)C1CC1 299998431 572955164 /nfs/dbraw/zinc/95/51/64/572955164.db2.gz YPTHBYSOEOQOCP-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP C/C(=C\CC[NH3+])Cc1cc[nH+]c(N)c1 86570678 572955427 /nfs/dbraw/zinc/95/54/27/572955427.db2.gz JWYXDAKHYVYNGM-YCRREMRBSA-N 2 2 191.278 1.501 10 0 ADAELP Nc1cc(C/C=C/CC[NH3+])cc[nH+]1 86570854 572956068 /nfs/dbraw/zinc/95/60/68/572956068.db2.gz RBSZBJBWQGWHBP-OWOJBTEDSA-N 2 2 177.251 1.111 10 0 ADAELP Nc1[nH+]cccc1C/C=C/CC[NH3+] 86570885 572956162 /nfs/dbraw/zinc/95/61/62/572956162.db2.gz WUXOOPODHTZTHC-OWOJBTEDSA-N 2 2 177.251 1.111 10 0 ADAELP C[NH2+]CC/C=C(/C)c1ccc[nH+]c1N 86572430 572957037 /nfs/dbraw/zinc/95/70/37/572957037.db2.gz BIGHZSOMZDHSCK-UITAMQMPSA-N 2 2 191.278 1.677 10 0 ADAELP C[NH2+]CCNc1ccc([NH+](C)C)cc1 58846211 572959225 /nfs/dbraw/zinc/95/92/25/572959225.db2.gz OKDZDXGLAPEBHL-UHFFFAOYSA-N 2 2 193.294 1.384 10 0 ADAELP C[NH2+]CC(C)(C)Cn1cc[nH+]c1 86595862 572959909 /nfs/dbraw/zinc/95/99/09/572959909.db2.gz VXSJEKYSDVOKEG-UHFFFAOYSA-N 2 2 167.256 1.129 10 0 ADAELP CCC[NH2+]CC(C)(C)Cn1cc[nH+]c1 86595857 572960700 /nfs/dbraw/zinc/96/07/00/572960700.db2.gz SVYNPWKUIBXJQS-UHFFFAOYSA-N 2 2 195.310 1.909 10 0 ADAELP CC(C)(C[NH2+]C1CC1)Cn1cc[nH+]c1 86595860 572961568 /nfs/dbraw/zinc/96/15/68/572961568.db2.gz KZTPMGRGEZTRRW-UHFFFAOYSA-N 2 2 193.294 1.661 10 0 ADAELP CC[NH2+]CC(C)(C)Cn1cc[nH+]c1 86595865 572961587 /nfs/dbraw/zinc/96/15/87/572961587.db2.gz ZIOAHZVROKTVCF-UHFFFAOYSA-N 2 2 181.283 1.519 10 0 ADAELP C1C[NH2+][C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1 51357661 572964282 /nfs/dbraw/zinc/96/42/82/572964282.db2.gz VWBJSWQAWGXTTN-VXGBXAGGSA-N 2 2 194.322 1.613 10 0 ADAELP C1C[NH2+][C@@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 51357661 572964283 /nfs/dbraw/zinc/96/42/83/572964283.db2.gz VWBJSWQAWGXTTN-VXGBXAGGSA-N 2 2 194.322 1.613 10 0 ADAELP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51357406 572964296 /nfs/dbraw/zinc/96/42/96/572964296.db2.gz PBCFSJHRJJWGOV-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[C@H]([NH3+])c1cc(N)cc[nH+]1 713800106 572964036 /nfs/dbraw/zinc/96/40/36/572964036.db2.gz NFXRIQRSULMGIO-VIFPVBQESA-N 2 2 179.267 1.710 10 0 ADAELP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51357406 572964297 /nfs/dbraw/zinc/96/42/97/572964297.db2.gz PBCFSJHRJJWGOV-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[C@@H]([NH3+])c1cc(N)cc[nH+]1 713800104 572965007 /nfs/dbraw/zinc/96/50/07/572965007.db2.gz NFXRIQRSULMGIO-SECBINFHSA-N 2 2 179.267 1.710 10 0 ADAELP c1cc2c(c(-n3cc[nH+]c3)c1)CC[NH2+]C2 88101809 572964249 /nfs/dbraw/zinc/96/42/49/572964249.db2.gz AIBXAMGTPRLDBN-UHFFFAOYSA-N 2 2 199.257 1.518 10 0 ADAELP C1C[NH2+][C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 51357659 572964576 /nfs/dbraw/zinc/96/45/76/572964576.db2.gz VWBJSWQAWGXTTN-RYUDHWBXSA-N 2 2 194.322 1.613 10 0 ADAELP C1C[NH2+][C@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 51357659 572964578 /nfs/dbraw/zinc/96/45/78/572964578.db2.gz VWBJSWQAWGXTTN-RYUDHWBXSA-N 2 2 194.322 1.613 10 0 ADAELP C1C[NH2+][C@H]([C@H]2CCC[N@H+]2CC2CC2)C1 51357662 572964833 /nfs/dbraw/zinc/96/48/33/572964833.db2.gz VWBJSWQAWGXTTN-NWDGAFQWSA-N 2 2 194.322 1.613 10 0 ADAELP C1C[NH2+][C@H]([C@H]2CCC[N@@H+]2CC2CC2)C1 51357662 572964834 /nfs/dbraw/zinc/96/48/34/572964834.db2.gz VWBJSWQAWGXTTN-NWDGAFQWSA-N 2 2 194.322 1.613 10 0 ADAELP CCn1c(C)cc(C[NH2+]CC[NH3+])c1C 86592134 572964863 /nfs/dbraw/zinc/96/48/63/572964863.db2.gz USLQRPIZFRJXPO-UHFFFAOYSA-N 2 2 195.310 1.173 10 0 ADAELP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51357405 572965109 /nfs/dbraw/zinc/96/51/09/572965109.db2.gz PBCFSJHRJJWGOV-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51357405 572965112 /nfs/dbraw/zinc/96/51/12/572965112.db2.gz PBCFSJHRJJWGOV-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP C1C[NH2+][C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 51357657 572965123 /nfs/dbraw/zinc/96/51/23/572965123.db2.gz VWBJSWQAWGXTTN-NEPJUHHUSA-N 2 2 194.322 1.613 10 0 ADAELP C1C[NH2+][C@@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1 51357657 572965124 /nfs/dbraw/zinc/96/51/24/572965124.db2.gz VWBJSWQAWGXTTN-NEPJUHHUSA-N 2 2 194.322 1.613 10 0 ADAELP CCCC[N@H+](C)[C@@H](C)C(N)=[NH2+] 59184391 572965356 /nfs/dbraw/zinc/96/53/56/572965356.db2.gz SSJRZIXVKVGCBE-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CCCC[N@@H+](C)[C@@H](C)C(N)=[NH2+] 59184391 572965357 /nfs/dbraw/zinc/96/53/57/572965357.db2.gz SSJRZIXVKVGCBE-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CCn1c([C@@H]([NH3+])C[NH3+])cc2occc21 713801231 572965728 /nfs/dbraw/zinc/96/57/28/572965728.db2.gz TYZKCYGOBRPBAW-ZETCQYMHSA-N 2 2 193.250 1.213 10 0 ADAELP CCn1c([C@H]([NH3+])C[NH3+])cc2occc21 713801228 572965363 /nfs/dbraw/zinc/96/53/63/572965363.db2.gz TYZKCYGOBRPBAW-SSDOTTSWSA-N 2 2 193.250 1.213 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[NH+]1CCCCC1 59187098 572965471 /nfs/dbraw/zinc/96/54/71/572965471.db2.gz ABPZSZAOHKUZTA-QMMMGPOBSA-N 2 2 169.272 1.187 10 0 ADAELP CCC[NH2+][C@H]1CC[C@@H](n2cc[nH+]c2)C1 86619821 572965496 /nfs/dbraw/zinc/96/54/96/572965496.db2.gz RYSKLPLTHMYRDB-WDEREUQCSA-N 2 2 193.294 1.976 10 0 ADAELP CC(C)Cc1cccc([C@@H]([NH3+])C[NH3+])c1 238174539 572965596 /nfs/dbraw/zinc/96/55/96/572965596.db2.gz QQACOYOIUWGSGE-LBPRGKRZSA-N 2 2 192.306 1.844 10 0 ADAELP CC[C@@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])C1 59184480 572966006 /nfs/dbraw/zinc/96/60/06/572966006.db2.gz ZINYUNFJCAPUET-DTWKUNHWSA-N 2 2 183.299 1.433 10 0 ADAELP CCC[NH2+][C@H]1CC[C@H](n2cc[nH+]c2)C1 86619819 572965876 /nfs/dbraw/zinc/96/58/76/572965876.db2.gz RYSKLPLTHMYRDB-QWRGUYRKSA-N 2 2 193.294 1.976 10 0 ADAELP CC[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 59184480 572966004 /nfs/dbraw/zinc/96/60/04/572966004.db2.gz ZINYUNFJCAPUET-DTWKUNHWSA-N 2 2 183.299 1.433 10 0 ADAELP CCC1CC[NH+]([C@@H](C)C(N)=[NH2+])CC1 59184592 572966061 /nfs/dbraw/zinc/96/60/61/572966061.db2.gz LTMFNASBJCORNL-QMMMGPOBSA-N 2 2 183.299 1.433 10 0 ADAELP CCC1CC[NH+]([C@H](C)C(N)=[NH2+])CC1 59184594 572966225 /nfs/dbraw/zinc/96/62/25/572966225.db2.gz LTMFNASBJCORNL-MRVPVSSYSA-N 2 2 183.299 1.433 10 0 ADAELP CC[C@H](C(N)=[NH2+])[NH+]1CCCCC1 59187099 572966427 /nfs/dbraw/zinc/96/64/27/572966427.db2.gz ABPZSZAOHKUZTA-MRVPVSSYSA-N 2 2 169.272 1.187 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[NH+]1CCC(C)CC1 59187050 572966421 /nfs/dbraw/zinc/96/64/21/572966421.db2.gz NBMFLAJUYKOTRO-VIFPVBQESA-N 2 2 183.299 1.433 10 0 ADAELP CC[C@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 59184483 572966508 /nfs/dbraw/zinc/96/65/08/572966508.db2.gz ZINYUNFJCAPUET-IUCAKERBSA-N 2 2 183.299 1.433 10 0 ADAELP CC[C@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])C1 59184483 572966510 /nfs/dbraw/zinc/96/65/10/572966510.db2.gz ZINYUNFJCAPUET-IUCAKERBSA-N 2 2 183.299 1.433 10 0 ADAELP CCC[NH2+][C@@H]1CC[C@H](n2cc[nH+]c2)C1 86619818 572966465 /nfs/dbraw/zinc/96/64/65/572966465.db2.gz RYSKLPLTHMYRDB-MNOVXSKESA-N 2 2 193.294 1.976 10 0 ADAELP CCN(C)c1cc[nH+]cc1C[NH2+]C 88114893 572967690 /nfs/dbraw/zinc/96/76/90/572967690.db2.gz NMQMTTRUBVVQPX-UHFFFAOYSA-N 2 2 179.267 1.257 10 0 ADAELP CC(C)Cc1cccc([C@H]([NH3+])C[NH3+])c1 238174840 572967709 /nfs/dbraw/zinc/96/77/09/572967709.db2.gz QQACOYOIUWGSGE-GFCCVEGCSA-N 2 2 192.306 1.844 10 0 ADAELP CC[NH2+]Cc1c[nH+]ccc1N(C)CC 88114897 572967931 /nfs/dbraw/zinc/96/79/31/572967931.db2.gz ADOYZTFQJKXUJB-UHFFFAOYSA-N 2 2 193.294 1.647 10 0 ADAELP CCCN(C)c1cc[nH+]cc1C[NH3+] 88114862 572967950 /nfs/dbraw/zinc/96/79/50/572967950.db2.gz DRVSXHBRDSXSGZ-UHFFFAOYSA-N 2 2 179.267 1.387 10 0 ADAELP CN(CC1CC1)c1cc[nH+]cc1C[NH3+] 88115115 572968431 /nfs/dbraw/zinc/96/84/31/572968431.db2.gz RLVVENROAKWOHU-UHFFFAOYSA-N 2 2 191.278 1.387 10 0 ADAELP CC[C@H](C)N(C)c1cc[nH+]cc1C[NH3+] 88114843 572968466 /nfs/dbraw/zinc/96/84/66/572968466.db2.gz YFQSOXBADONLPR-VIFPVBQESA-N 2 2 193.294 1.775 10 0 ADAELP CCN(CC)c1cc[nH+]cc1C[NH3+] 88114663 572968626 /nfs/dbraw/zinc/96/86/26/572968626.db2.gz IBVOQUDMRWRDLZ-UHFFFAOYSA-N 2 2 179.267 1.387 10 0 ADAELP CC(C)CN(C)c1cc[nH+]cc1C[NH3+] 88114986 572968770 /nfs/dbraw/zinc/96/87/70/572968770.db2.gz DGENJAMTCJATGO-UHFFFAOYSA-N 2 2 193.294 1.633 10 0 ADAELP C[NH2+]Cc1c[nH+]ccc1N(C)C1CC1 88114872 572968921 /nfs/dbraw/zinc/96/89/21/572968921.db2.gz IMPKXEFLQZESES-UHFFFAOYSA-N 2 2 191.278 1.400 10 0 ADAELP CC(C)[NH2+]CC[NH+]1CC(C(C)C)C1 86677945 572970614 /nfs/dbraw/zinc/97/06/14/572970614.db2.gz HJBSLYXPBPNLIF-UHFFFAOYSA-N 2 2 184.327 1.572 10 0 ADAELP CCCC1C[NH+](C[C@H]([NH3+])CC)C1 86678942 572970644 /nfs/dbraw/zinc/97/06/44/572970644.db2.gz WBXRIZJWMYPMOJ-SNVBAGLBSA-N 2 2 170.300 1.456 10 0 ADAELP CC(C)C[C@H](C[NH3+])[NH+]1CC(C)(C)C1 86679125 572970712 /nfs/dbraw/zinc/97/07/12/572970712.db2.gz OUGQWRWQVVVULQ-SNVBAGLBSA-N 2 2 184.327 1.702 10 0 ADAELP CCC[NH2+]CC[NH+]1CC(C(C)(C)C)C1 86677915 572970731 /nfs/dbraw/zinc/97/07/31/572970731.db2.gz JBFCVJJNAXMKMY-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CCC1C[NH+](CC[NH2+]C(C)C)C1 86677933 572970757 /nfs/dbraw/zinc/97/07/57/572970757.db2.gz OXRKHJUOHJTFKL-UHFFFAOYSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[C@@H](C[NH3+])[NH+]1CC2(CCC2)C1 86679104 572970790 /nfs/dbraw/zinc/97/07/90/572970790.db2.gz JEPIZQAYLJPOEO-NSHDSACASA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)[NH2+]CC[NH+]1CC(C(C)(C)C)C1 86677949 572970797 /nfs/dbraw/zinc/97/07/97/572970797.db2.gz YIXYCXMQUMIXCY-UHFFFAOYSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CC[C@H]1C 86677905 572970804 /nfs/dbraw/zinc/97/08/04/572970804.db2.gz ZAFJCJWSWQJPDL-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+]CC[N@H+]1CC[C@H]1C 86677905 572970807 /nfs/dbraw/zinc/97/08/07/572970807.db2.gz ZAFJCJWSWQJPDL-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+]CC[NH+]1CC(C(C)C)C1 86677912 572970936 /nfs/dbraw/zinc/97/09/36/572970936.db2.gz WWMDYQQTLSNVGP-UHFFFAOYSA-N 2 2 184.327 1.574 10 0 ADAELP CCC1(CC)C[NH+](C[C@@H](C)[NH3+])C1 86678819 572970962 /nfs/dbraw/zinc/97/09/62/572970962.db2.gz RYTGEIZFXCQEDY-SECBINFHSA-N 2 2 170.300 1.456 10 0 ADAELP CCC1C[NH+](CC[NH2+]C2CC2)C1 86677965 572971108 /nfs/dbraw/zinc/97/11/08/572971108.db2.gz RZSABPCPKQSJKB-UHFFFAOYSA-N 2 2 168.284 1.080 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1CC(CC)(CC)C1 86678953 572971160 /nfs/dbraw/zinc/97/11/60/572971160.db2.gz XWHNAGFXLGLCKO-JTQLQIEISA-N 2 2 184.327 1.846 10 0 ADAELP CC(C)C[C@@H](C[NH3+])[NH+]1CC2(CC2)C1 86679112 572971231 /nfs/dbraw/zinc/97/12/31/572971231.db2.gz HHCQEOVBSGSGGY-JTQLQIEISA-N 2 2 182.311 1.456 10 0 ADAELP CCC1(CC)C[NH+]([C@@H](C)C[NH3+])C1 86678885 572971288 /nfs/dbraw/zinc/97/12/88/572971288.db2.gz JGXALBUYCNCMEA-VIFPVBQESA-N 2 2 170.300 1.456 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1CC(CC)(CC)C1 86678955 572971322 /nfs/dbraw/zinc/97/13/22/572971322.db2.gz XWHNAGFXLGLCKO-SNVBAGLBSA-N 2 2 184.327 1.846 10 0 ADAELP CCC[NH2+]CC[NH+]1CC(CC)C1 86677898 572971348 /nfs/dbraw/zinc/97/13/48/572971348.db2.gz AZXUTYORTZNDEO-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CC(C)C[C@H](C[NH3+])[NH+]1CC2(CCC2)C1 86679106 572971555 /nfs/dbraw/zinc/97/15/55/572971555.db2.gz JEPIZQAYLJPOEO-LLVKDONJSA-N 2 2 196.338 1.846 10 0 ADAELP CCCC1C[NH+](CC[NH2+]C(C)C)C1 86677931 572971646 /nfs/dbraw/zinc/97/16/46/572971646.db2.gz IFPLWQBAXUXRQC-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CC[C@@H]1C 86677903 572971697 /nfs/dbraw/zinc/97/16/97/572971697.db2.gz ZAFJCJWSWQJPDL-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+]CC[N@H+]1CC[C@@H]1C 86677903 572971698 /nfs/dbraw/zinc/97/16/98/572971698.db2.gz ZAFJCJWSWQJPDL-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)C[C@@H](C[NH3+])[NH+]1CC(C)(C)C1 86679121 572971774 /nfs/dbraw/zinc/97/17/74/572971774.db2.gz OUGQWRWQVVVULQ-JTQLQIEISA-N 2 2 184.327 1.702 10 0 ADAELP CCC[NH2+]CC[NH+]1CC(CCC)C1 86677896 572971803 /nfs/dbraw/zinc/97/18/03/572971803.db2.gz WZPFDJVJRSTDFS-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP CCC1(CC)C[NH+]([C@H](C)C[NH3+])C1 86678887 572971847 /nfs/dbraw/zinc/97/18/47/572971847.db2.gz JGXALBUYCNCMEA-SECBINFHSA-N 2 2 170.300 1.456 10 0 ADAELP CC(C)C1C[NH+](CC[NH2+]C2CC2)C1 86677977 572971909 /nfs/dbraw/zinc/97/19/09/572971909.db2.gz NHPUNISKENULPG-UHFFFAOYSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)(C)C1C[NH+](CC[NH2+]C2CC2)C1 86677981 572971937 /nfs/dbraw/zinc/97/19/37/572971937.db2.gz RGVMWFRDDCAEFX-UHFFFAOYSA-N 2 2 196.338 1.716 10 0 ADAELP CCCC1C[NH+](CC[NH2+]C2CC2)C1 86677963 572971958 /nfs/dbraw/zinc/97/19/58/572971958.db2.gz UKWSHLGWILYXAM-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CCC1(CC)C[NH+](CC[NH2+]C2CC2)C1 86677968 572971968 /nfs/dbraw/zinc/97/19/68/572971968.db2.gz ITHNUERMBYJQNS-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)C[C@H](C[NH3+])[NH+]1CC2(CC2)C1 86679115 572972010 /nfs/dbraw/zinc/97/20/10/572972010.db2.gz HHCQEOVBSGSGGY-SNVBAGLBSA-N 2 2 182.311 1.456 10 0 ADAELP CCC1(CC)C[NH+](C[C@H](C)[NH3+])C1 86678820 572972079 /nfs/dbraw/zinc/97/20/79/572972079.db2.gz RYTGEIZFXCQEDY-VIFPVBQESA-N 2 2 170.300 1.456 10 0 ADAELP CCCC1C[NH+](C[C@@H]([NH3+])CC)C1 86678944 572972102 /nfs/dbraw/zinc/97/21/02/572972102.db2.gz WBXRIZJWMYPMOJ-JTQLQIEISA-N 2 2 170.300 1.456 10 0 ADAELP C=C/C=C/CC[C@@H](C[NH+](C)C)[NH2+]C 713660933 572972287 /nfs/dbraw/zinc/97/22/87/572972287.db2.gz OQZJTUZVPCRCHS-MLRMMBSGSA-N 2 2 182.311 1.658 10 0 ADAELP C=C/C=C\CC[C@@H](C[NH+](C)C)[NH2+]C 713660938 572972303 /nfs/dbraw/zinc/97/23/03/572972303.db2.gz OQZJTUZVPCRCHS-ZADCQDASSA-N 2 2 182.311 1.658 10 0 ADAELP CC[C@@H](C[NH3+])[NH+]1CC(CC)(CC)C1 86679634 572972429 /nfs/dbraw/zinc/97/24/29/572972429.db2.gz TVNYPWKPPXFROI-JTQLQIEISA-N 2 2 184.327 1.846 10 0 ADAELP CCC[C@H](C[NH3+])[NH+]1CC2(CCC2)C1 86679717 572972858 /nfs/dbraw/zinc/97/28/58/572972858.db2.gz OGIOPXFZEVCXCJ-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP CCC[C@H](C[NH3+])[NH+]1CC2(CC2)C1 86679733 572972872 /nfs/dbraw/zinc/97/28/72/572972872.db2.gz CJIIWWALHYFHAA-SECBINFHSA-N 2 2 168.284 1.210 10 0 ADAELP CCC[C@@H](C[NH3+])[NH+]1CC(C)(C)C1 86679738 572972894 /nfs/dbraw/zinc/97/28/94/572972894.db2.gz JKEFHFKDEDTVPW-VIFPVBQESA-N 2 2 170.300 1.456 10 0 ADAELP C=C/C=C/CC[C@H](C[NH+](C)C)[NH2+]C 713660937 572973000 /nfs/dbraw/zinc/97/30/00/572973000.db2.gz OQZJTUZVPCRCHS-XUIVZRPNSA-N 2 2 182.311 1.658 10 0 ADAELP CCC[C@@H](C[NH3+])[NH+]1CC2(CCC2)C1 86679715 572973226 /nfs/dbraw/zinc/97/32/26/572973226.db2.gz OGIOPXFZEVCXCJ-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP CC[C@H](C[NH3+])[NH+]1CC(CC)(CC)C1 86679636 572973245 /nfs/dbraw/zinc/97/32/45/572973245.db2.gz TVNYPWKPPXFROI-SNVBAGLBSA-N 2 2 184.327 1.846 10 0 ADAELP CCC[C@H](C[NH3+])[NH+]1CC(C)(C)C1 86679740 572973677 /nfs/dbraw/zinc/97/36/77/572973677.db2.gz JKEFHFKDEDTVPW-SECBINFHSA-N 2 2 170.300 1.456 10 0 ADAELP CCC[C@@H](C[NH3+])[NH+]1CC2(CC2)C1 86679731 572973721 /nfs/dbraw/zinc/97/37/21/572973721.db2.gz CJIIWWALHYFHAA-VIFPVBQESA-N 2 2 168.284 1.210 10 0 ADAELP C=C/C=C\CC[C@H](C[NH+](C)C)[NH2+]C 713660932 572973933 /nfs/dbraw/zinc/97/39/33/572973933.db2.gz OQZJTUZVPCRCHS-JMEBYUIHSA-N 2 2 182.311 1.658 10 0 ADAELP C[C@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]C1 86727111 572974638 /nfs/dbraw/zinc/97/46/38/572974638.db2.gz XNEYQTQQWMWASW-ZJUUUORDSA-N 2 2 194.278 1.162 10 0 ADAELP C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]C1 86727107 572974948 /nfs/dbraw/zinc/97/49/48/572974948.db2.gz XNEYQTQQWMWASW-NXEZZACHSA-N 2 2 194.278 1.162 10 0 ADAELP C[C@@H](Cc1ccco1)[NH2+][C@@H]1CC[NH2+]C1 86727106 572974953 /nfs/dbraw/zinc/97/49/53/572974953.db2.gz XNEYQTQQWMWASW-VHSXEESVSA-N 2 2 194.278 1.162 10 0 ADAELP C[C@@H](Cc1ccco1)[NH2+][C@H]1CC[NH2+]C1 86727110 572975125 /nfs/dbraw/zinc/97/51/25/572975125.db2.gz XNEYQTQQWMWASW-UWVGGRQHSA-N 2 2 194.278 1.162 10 0 ADAELP CCn1cc[nH+]c1CC([NH3+])(CC)CC 86750620 572975755 /nfs/dbraw/zinc/97/57/55/572975755.db2.gz DFKRVRFJPBFITR-UHFFFAOYSA-N 2 2 195.310 1.963 10 0 ADAELP CC[C@H](C)[C@](C)([NH3+])Cc1[nH+]ccn1C 86750645 572975905 /nfs/dbraw/zinc/97/59/05/572975905.db2.gz DAUWCAAHRNELPG-GXSJLCMTSA-N 2 2 195.310 1.726 10 0 ADAELP CCn1cc[nH+]c1C/C=C/CC[NH3+] 86755344 572976028 /nfs/dbraw/zinc/97/60/28/572976028.db2.gz YSBTUBUJOSONTA-ONEGZZNKSA-N 2 2 179.267 1.351 10 0 ADAELP CCn1cc[nH+]c1C[C@](C)([NH3+])CC 86750611 572976454 /nfs/dbraw/zinc/97/64/54/572976454.db2.gz YFKRUMYUSXQCRO-SNVBAGLBSA-N 2 2 181.283 1.573 10 0 ADAELP CCn1cc[nH+]c1C[C@@](C)([NH3+])C(C)C 86750626 572976476 /nfs/dbraw/zinc/97/64/76/572976476.db2.gz GAOSFRIFKJRNAV-LLVKDONJSA-N 2 2 195.310 1.819 10 0 ADAELP CCc1ccc(CCCC[NH3+])[nH+]c1 86738113 572976515 /nfs/dbraw/zinc/97/65/15/572976515.db2.gz SCEIXCKEMCCWFM-UHFFFAOYSA-N 2 2 178.279 1.925 10 0 ADAELP CCCn1cc[nH+]c1C/C=C/CC[NH3+] 86755348 572976616 /nfs/dbraw/zinc/97/66/16/572976616.db2.gz FGVHQZYMPPXGHW-ONEGZZNKSA-N 2 2 193.294 1.741 10 0 ADAELP CCC([NH3+])(CC)Cc1[nH+]ccn1C 86750622 572976627 /nfs/dbraw/zinc/97/66/27/572976627.db2.gz RAUYFJZSCXMXBN-UHFFFAOYSA-N 2 2 181.283 1.480 10 0 ADAELP C[NH2+]CC/C=C/Cc1[nH+]ccn1C 86755353 572976686 /nfs/dbraw/zinc/97/66/86/572976686.db2.gz MQGAOFULNNVJBP-ONEGZZNKSA-N 2 2 179.267 1.128 10 0 ADAELP CC[NH2+]CC/C=C/Cc1[nH+]ccn1C 86755362 572976689 /nfs/dbraw/zinc/97/66/89/572976689.db2.gz OMRXJDQFLKOHAZ-SNAWJCMRSA-N 2 2 193.294 1.518 10 0 ADAELP CC[C@H](C)[C@@](C)([NH3+])Cc1[nH+]ccn1C 86750648 572976693 /nfs/dbraw/zinc/97/66/93/572976693.db2.gz DAUWCAAHRNELPG-ONGXEEELSA-N 2 2 195.310 1.726 10 0 ADAELP CCn1cc[nH+]c1C/C=C/CC[NH2+]C 86755350 572976727 /nfs/dbraw/zinc/97/67/27/572976727.db2.gz FSGKWVQATUKJJC-SNAWJCMRSA-N 2 2 193.294 1.611 10 0 ADAELP CC[C@@]([NH3+])(Cc1[nH+]ccn1C)C(C)C 86750661 572976859 /nfs/dbraw/zinc/97/68/59/572976859.db2.gz FJRLHLHCWBIYGR-LLVKDONJSA-N 2 2 195.310 1.726 10 0 ADAELP CC[C@@H](C)[C@](C)([NH3+])Cc1[nH+]ccn1C 86750642 572976891 /nfs/dbraw/zinc/97/68/91/572976891.db2.gz DAUWCAAHRNELPG-MWLCHTKSSA-N 2 2 195.310 1.726 10 0 ADAELP C/C(=C\CC[NH3+])Cc1[nH+]ccn1C 86755340 572976911 /nfs/dbraw/zinc/97/69/11/572976911.db2.gz PCNXPSIQKBQCPW-RUDMXATFSA-N 2 2 179.267 1.258 10 0 ADAELP CC[C@@H](C)[C@@](C)([NH3+])Cc1[nH+]ccn1C 86750647 572976928 /nfs/dbraw/zinc/97/69/28/572976928.db2.gz DAUWCAAHRNELPG-KOLCDFICSA-N 2 2 195.310 1.726 10 0 ADAELP CC[C@]([NH3+])(Cc1[nH+]ccn1C)C(C)C 86750663 572976933 /nfs/dbraw/zinc/97/69/33/572976933.db2.gz FJRLHLHCWBIYGR-NSHDSACASA-N 2 2 195.310 1.726 10 0 ADAELP CCn1cc[nH+]c1C/C(C)=C/CC[NH3+] 86755338 572977092 /nfs/dbraw/zinc/97/70/92/572977092.db2.gz WKPZILXYWQGDAX-BJMVGYQFSA-N 2 2 193.294 1.741 10 0 ADAELP CCCn1cc[nH+]c1C[C@](C)([NH3+])CC 86750617 572977143 /nfs/dbraw/zinc/97/71/43/572977143.db2.gz FVXZJTGLRVKKMH-LLVKDONJSA-N 2 2 195.310 1.963 10 0 ADAELP CCCn1cc[nH+]c1CC(C)(C)[NH3+] 86750606 572977286 /nfs/dbraw/zinc/97/72/86/572977286.db2.gz ULGJZUONESGOAH-UHFFFAOYSA-N 2 2 181.283 1.573 10 0 ADAELP CCn1cc[nH+]c1C[C@](C)([NH3+])C(C)C 86750625 572977300 /nfs/dbraw/zinc/97/73/00/572977300.db2.gz GAOSFRIFKJRNAV-NSHDSACASA-N 2 2 195.310 1.819 10 0 ADAELP C[NH2+]CC/C=C(/C)Cc1[nH+]ccn1C 86755387 572977344 /nfs/dbraw/zinc/97/73/44/572977344.db2.gz WDYHNRLBLBIITL-YHYXMXQVSA-N 2 2 193.294 1.518 10 0 ADAELP CCCn1cc[nH+]c1C[C@@](C)([NH3+])CC 86750618 572977359 /nfs/dbraw/zinc/97/73/59/572977359.db2.gz FVXZJTGLRVKKMH-NSHDSACASA-N 2 2 195.310 1.963 10 0 ADAELP CC[C@H](C)[C@H](Cc1[nH+]ccn1C)[NH2+]C 86752193 572977500 /nfs/dbraw/zinc/97/75/00/572977500.db2.gz BGYHMAAKQBMUBB-UWVGGRQHSA-N 2 2 195.310 1.597 10 0 ADAELP CCSC[C@@H]([NH3+])Cc1[nH+]ccn1C 86752418 572977526 /nfs/dbraw/zinc/97/75/26/572977526.db2.gz CKWCTHUIJAMDAQ-QMMMGPOBSA-N 2 2 199.323 1.043 10 0 ADAELP CCSC[C@H]([NH3+])Cc1[nH+]ccn1C 86752416 572977631 /nfs/dbraw/zinc/97/76/31/572977631.db2.gz CKWCTHUIJAMDAQ-MRVPVSSYSA-N 2 2 199.323 1.043 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)C1CCC1 86752370 572977636 /nfs/dbraw/zinc/97/76/36/572977636.db2.gz CTFNXZRJZJPFRG-SNVBAGLBSA-N 2 2 193.294 1.351 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)[C@H]1C[C@H]1C 86752784 572977720 /nfs/dbraw/zinc/97/77/20/572977720.db2.gz BUBHFAQTMLDYMS-KXUCPTDWSA-N 2 2 193.294 1.207 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]([NH3+])C1CCC1 86752361 572977733 /nfs/dbraw/zinc/97/77/33/572977733.db2.gz XFIOKFWENMRNGT-SNVBAGLBSA-N 2 2 193.294 1.573 10 0 ADAELP CC[C@@H](C)[C@H]([NH3+])Cc1[nH+]ccn1CC 86752170 572977839 /nfs/dbraw/zinc/97/78/39/572977839.db2.gz SSTRFMGDLLMSAQ-NXEZZACHSA-N 2 2 195.310 1.819 10 0 ADAELP CCCCCCOC(=[NH2+])NC(N)=[NH2+] 238190829 572977869 /nfs/dbraw/zinc/97/78/69/572977869.db2.gz JZUCGWCVKQDZJN-UHFFFAOYSA-N 2 2 186.259 1.001 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H]([NH3+])C(C)C 86751780 572977904 /nfs/dbraw/zinc/97/79/04/572977904.db2.gz MDHZJWCJQOVDED-SNVBAGLBSA-N 2 2 195.310 1.819 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]([NH3+])CSC 86752119 572977914 /nfs/dbraw/zinc/97/79/14/572977914.db2.gz NJSBFSAIHFICFE-MRVPVSSYSA-N 2 2 199.323 1.136 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])Cc1[nH+]ccn1CC 86752172 572978008 /nfs/dbraw/zinc/97/80/08/572978008.db2.gz SSTRFMGDLLMSAQ-VHSXEESVSA-N 2 2 195.310 1.819 10 0 ADAELP CC[C@H](C)[C@@H]([NH3+])Cc1[nH+]ccn1CC 86752176 572978028 /nfs/dbraw/zinc/97/80/28/572978028.db2.gz SSTRFMGDLLMSAQ-UWVGGRQHSA-N 2 2 195.310 1.819 10 0 ADAELP CCCn1cc[nH+]c1C[C@H](C)[NH2+]C 86751883 572978092 /nfs/dbraw/zinc/97/80/92/572978092.db2.gz XDNWOBQXQKKDPY-VIFPVBQESA-N 2 2 181.283 1.444 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@@H]1C 51730910 572978146 /nfs/dbraw/zinc/97/81/46/572978146.db2.gz HQCXFWSWXMURTD-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@@H]1C 51730910 572978148 /nfs/dbraw/zinc/97/81/48/572978148.db2.gz HQCXFWSWXMURTD-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H](C)[NH2+]CC 86751885 572978190 /nfs/dbraw/zinc/97/81/90/572978190.db2.gz UYBKMWWHCIQYOL-SNVBAGLBSA-N 2 2 195.310 1.834 10 0 ADAELP CC[C@@H](C)[C@@H]([NH3+])Cc1[nH+]ccn1CC 86752175 572978251 /nfs/dbraw/zinc/97/82/51/572978251.db2.gz SSTRFMGDLLMSAQ-ZJUUUORDSA-N 2 2 195.310 1.819 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH3+])[C@H]1C[C@@H]1C 86752770 572978315 /nfs/dbraw/zinc/97/83/15/572978315.db2.gz RCRBXGZPUCKDIX-GUBZILKMSA-N 2 2 193.294 1.429 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H]([NH3+])C1CC1 86751792 572978321 /nfs/dbraw/zinc/97/83/21/572978321.db2.gz KNCFURMCDGYSCB-SNVBAGLBSA-N 2 2 193.294 1.573 10 0 ADAELP CCCn1cc[nH+]c1C[C@H]([NH3+])C1CC1 86751789 572978348 /nfs/dbraw/zinc/97/83/48/572978348.db2.gz KNCFURMCDGYSCB-JTQLQIEISA-N 2 2 193.294 1.573 10 0 ADAELP CCC[C@@H]([NH3+])Cc1[nH+]ccn1CCC 86751787 572978391 /nfs/dbraw/zinc/97/83/91/572978391.db2.gz KLILHXQPCKKZLG-SNVBAGLBSA-N 2 2 195.310 1.963 10 0 ADAELP CCCC[C@H]([NH3+])Cc1[nH+]ccn1CC 86753061 572978411 /nfs/dbraw/zinc/97/84/11/572978411.db2.gz MAUAAZWUMFZVNR-JTQLQIEISA-N 2 2 195.310 1.963 10 0 ADAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)CC(C)C 86751841 572978734 /nfs/dbraw/zinc/97/87/34/572978734.db2.gz IFGCWWZLZNFRBD-SNVBAGLBSA-N 2 2 195.310 1.597 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH3+])C1CCC1 86752359 572978448 /nfs/dbraw/zinc/97/84/48/572978448.db2.gz XFIOKFWENMRNGT-JTQLQIEISA-N 2 2 193.294 1.573 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H](C)[NH2+]C 86751881 572978470 /nfs/dbraw/zinc/97/84/70/572978470.db2.gz XDNWOBQXQKKDPY-SECBINFHSA-N 2 2 181.283 1.444 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)[C@H]1C[C@@H]1C 86752786 572978534 /nfs/dbraw/zinc/97/85/34/572978534.db2.gz BUBHFAQTMLDYMS-LPEHRKFASA-N 2 2 193.294 1.207 10 0 ADAELP CCCC[C@H](Cc1[nH+]ccn1C)[NH2+]C 86753033 572978558 /nfs/dbraw/zinc/97/85/58/572978558.db2.gz GDFBJKFWRLVPCM-SNVBAGLBSA-N 2 2 195.310 1.741 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H](CC)[NH2+]C 86751871 572978652 /nfs/dbraw/zinc/97/86/52/572978652.db2.gz CDMQCNHDHFMIJC-SNVBAGLBSA-N 2 2 195.310 1.834 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@H](C)C1 51731260 572978664 /nfs/dbraw/zinc/97/86/64/572978664.db2.gz WLNQDEYOCWIAKY-WISYIIOYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@H](C)C1 51731260 572978666 /nfs/dbraw/zinc/97/86/66/572978666.db2.gz WLNQDEYOCWIAKY-WISYIIOYSA-N 2 2 196.338 1.987 10 0 ADAELP CCCn1cc[nH+]c1C[C@H]1CCC[NH2+]1 86753578 572978787 /nfs/dbraw/zinc/97/87/87/572978787.db2.gz RKFZGMKZJOLUFC-SNVBAGLBSA-N 2 2 193.294 1.588 10 0 ADAELP CC[C@H](C)[C@@H](Cc1[nH+]ccn1C)[NH2+]C 86752189 572978840 /nfs/dbraw/zinc/97/88/40/572978840.db2.gz BGYHMAAKQBMUBB-VHSXEESVSA-N 2 2 195.310 1.597 10 0 ADAELP CCCC[C@@H](Cc1[nH+]ccn1C)[NH2+]C 86753031 572978842 /nfs/dbraw/zinc/97/88/42/572978842.db2.gz GDFBJKFWRLVPCM-JTQLQIEISA-N 2 2 195.310 1.741 10 0 ADAELP CCCC[C@@H]([NH3+])Cc1[nH+]ccn1CC 86753064 572978848 /nfs/dbraw/zinc/97/88/48/572978848.db2.gz MAUAAZWUMFZVNR-SNVBAGLBSA-N 2 2 195.310 1.963 10 0 ADAELP CCCn1cc[nH+]c1C[C@H](C)[NH2+]CC 86751886 572978862 /nfs/dbraw/zinc/97/88/62/572978862.db2.gz UYBKMWWHCIQYOL-JTQLQIEISA-N 2 2 195.310 1.834 10 0 ADAELP CCC[C@H]([NH3+])Cc1[nH+]ccn1CCC 86751785 572979052 /nfs/dbraw/zinc/97/90/52/572979052.db2.gz KLILHXQPCKKZLG-JTQLQIEISA-N 2 2 195.310 1.963 10 0 ADAELP C[NH2+][C@H](Cc1[nH+]ccn1C)CC(C)C 86751839 572979170 /nfs/dbraw/zinc/97/91/70/572979170.db2.gz IFGCWWZLZNFRBD-JTQLQIEISA-N 2 2 195.310 1.597 10 0 ADAELP CCn1cc[nH+]c1C[C@H]([NH3+])CSC 86752117 572979186 /nfs/dbraw/zinc/97/91/86/572979186.db2.gz NJSBFSAIHFICFE-QMMMGPOBSA-N 2 2 199.323 1.136 10 0 ADAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)C1CCC1 86752367 572979192 /nfs/dbraw/zinc/97/91/92/572979192.db2.gz CTFNXZRJZJPFRG-JTQLQIEISA-N 2 2 193.294 1.351 10 0 ADAELP CC[C@@H](C)[C@@H](Cc1[nH+]ccn1C)[NH2+]C 86752187 572979410 /nfs/dbraw/zinc/97/94/10/572979410.db2.gz BGYHMAAKQBMUBB-NXEZZACHSA-N 2 2 195.310 1.597 10 0 ADAELP CC[C@@H](C)[C@H](Cc1[nH+]ccn1C)[NH2+]C 86752191 572979435 /nfs/dbraw/zinc/97/94/35/572979435.db2.gz BGYHMAAKQBMUBB-ZJUUUORDSA-N 2 2 195.310 1.597 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H]1CCC[NH2+]1 86753577 572979440 /nfs/dbraw/zinc/97/94/40/572979440.db2.gz RKFZGMKZJOLUFC-JTQLQIEISA-N 2 2 193.294 1.588 10 0 ADAELP C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C[C@H]1C 299903273 572980033 /nfs/dbraw/zinc/98/00/33/572980033.db2.gz AVWPOHWBFQCPFG-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C[C@H]1C 299903273 572980035 /nfs/dbraw/zinc/98/00/35/572980035.db2.gz AVWPOHWBFQCPFG-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1C[C@](C)([NH3+])CC 86809243 572982678 /nfs/dbraw/zinc/98/26/78/572982678.db2.gz KECJDGCVKWREFR-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@](C)([NH3+])CC 86809243 572982679 /nfs/dbraw/zinc/98/26/79/572982679.db2.gz KECJDGCVKWREFR-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)[C@H](C)C1 299911283 572981615 /nfs/dbraw/zinc/98/16/15/572981615.db2.gz NJNLQPWRYMMOAS-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)[C@H](C)C1 299911283 572981617 /nfs/dbraw/zinc/98/16/17/572981617.db2.gz NJNLQPWRYMMOAS-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@](C)([NH3+])C[NH2+]Cc1ccc(C)o1 86810183 572981796 /nfs/dbraw/zinc/98/17/96/572981796.db2.gz QXVABXNXXAWQTE-LLVKDONJSA-N 2 2 196.294 1.805 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](C)Cc1ccco1 86809084 572981810 /nfs/dbraw/zinc/98/18/10/572981810.db2.gz SKQQKUUCRXEJNK-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](C)Cc1ccco1 86809084 572981812 /nfs/dbraw/zinc/98/18/12/572981812.db2.gz SKQQKUUCRXEJNK-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](C)[C@@H](C)C1CC1 86809138 572981823 /nfs/dbraw/zinc/98/18/23/572981823.db2.gz LBPSZGKUFQVKLS-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](C)[C@@H](C)C1CC1 86809138 572981825 /nfs/dbraw/zinc/98/18/25/572981825.db2.gz LBPSZGKUFQVKLS-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+](C)CC(C)C 86809037 572981978 /nfs/dbraw/zinc/98/19/78/572981978.db2.gz YZYQSHZIEHXGCM-SNVBAGLBSA-N 2 2 172.316 1.702 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+](C)CC(C)C 86809037 572981980 /nfs/dbraw/zinc/98/19/80/572981980.db2.gz YZYQSHZIEHXGCM-SNVBAGLBSA-N 2 2 172.316 1.702 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+](C)CC1CCC1 86810237 572982058 /nfs/dbraw/zinc/98/20/58/572982058.db2.gz LRLACYNWWLIJES-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+](C)CC1CCC1 86810237 572982059 /nfs/dbraw/zinc/98/20/59/572982059.db2.gz LRLACYNWWLIJES-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](C)Cc1ccoc1 86809480 572982071 /nfs/dbraw/zinc/98/20/71/572982071.db2.gz XUAKZMIVSXQAAQ-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](C)Cc1ccoc1 86809480 572982072 /nfs/dbraw/zinc/98/20/72/572982072.db2.gz XUAKZMIVSXQAAQ-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+](C)Cc1ccoc1 86809484 572982084 /nfs/dbraw/zinc/98/20/84/572982084.db2.gz XUAKZMIVSXQAAQ-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+](C)Cc1ccoc1 86809484 572982085 /nfs/dbraw/zinc/98/20/85/572982085.db2.gz XUAKZMIVSXQAAQ-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[N@H+](CC1CC1)C[C@](C)([NH3+])CC 86810475 572982160 /nfs/dbraw/zinc/98/21/60/572982160.db2.gz UCIMCAOOLDTRQI-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@](C)([NH3+])CC 86810475 572982162 /nfs/dbraw/zinc/98/21/62/572982162.db2.gz UCIMCAOOLDTRQI-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](C)C1CCCC1 86809005 572982226 /nfs/dbraw/zinc/98/22/26/572982226.db2.gz KGZRIKQONJSZKC-NSHDSACASA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](C)C1CCCC1 86809005 572982228 /nfs/dbraw/zinc/98/22/28/572982228.db2.gz KGZRIKQONJSZKC-NSHDSACASA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](C)CC1CCC1 86810235 572982281 /nfs/dbraw/zinc/98/22/81/572982281.db2.gz LRLACYNWWLIJES-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](C)CC1CCC1 86810235 572982282 /nfs/dbraw/zinc/98/22/82/572982282.db2.gz LRLACYNWWLIJES-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@](C)([NH3+])C[NH2+]Cc1ccco1 86809295 572982442 /nfs/dbraw/zinc/98/24/42/572982442.db2.gz KAYRYCWPYQVAMQ-SNVBAGLBSA-N 2 2 182.267 1.497 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+](C)C1CCCC1 86809009 572982547 /nfs/dbraw/zinc/98/25/47/572982547.db2.gz KGZRIKQONJSZKC-LLVKDONJSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+](C)C1CCCC1 86809009 572982548 /nfs/dbraw/zinc/98/25/48/572982548.db2.gz KGZRIKQONJSZKC-LLVKDONJSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H](C)[N@H+](C)C[C@](C)([NH3+])CC 86809040 572982631 /nfs/dbraw/zinc/98/26/31/572982631.db2.gz YUDSPYCBEZIRLW-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@@H](C)[N@@H+](C)C[C@](C)([NH3+])CC 86809040 572982633 /nfs/dbraw/zinc/98/26/33/572982633.db2.gz YUDSPYCBEZIRLW-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CC[N@H+](C[C@](C)([NH3+])CC)C(C)C 86808996 572982703 /nfs/dbraw/zinc/98/27/03/572982703.db2.gz COTNQXGDKXPVHV-SNVBAGLBSA-N 2 2 172.316 1.844 10 0 ADAELP CC[N@@H+](C[C@](C)([NH3+])CC)C(C)C 86808996 572982704 /nfs/dbraw/zinc/98/27/04/572982704.db2.gz COTNQXGDKXPVHV-SNVBAGLBSA-N 2 2 172.316 1.844 10 0 ADAELP CCC([NH3+])(CC)C[NH2+]Cc1ccco1 86814447 572982730 /nfs/dbraw/zinc/98/27/30/572982730.db2.gz HOAVXAIZONNKJG-UHFFFAOYSA-N 2 2 196.294 1.887 10 0 ADAELP CC[C@](C)([NH3+])C[NH2+]Cc1ccco1 86809292 572982847 /nfs/dbraw/zinc/98/28/47/572982847.db2.gz KAYRYCWPYQVAMQ-JTQLQIEISA-N 2 2 182.267 1.497 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+](C)[C@@H](C)C1CC1 86809141 572982943 /nfs/dbraw/zinc/98/29/43/572982943.db2.gz LBPSZGKUFQVKLS-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+](C)[C@@H](C)C1CC1 86809141 572982945 /nfs/dbraw/zinc/98/29/45/572982945.db2.gz LBPSZGKUFQVKLS-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]1CCC[N@@H+]1C[C@](C)([NH3+])CC 86809246 572983001 /nfs/dbraw/zinc/98/30/01/572983001.db2.gz KECJDGCVKWREFR-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]1CCC[N@H+]1C[C@](C)([NH3+])CC 86809246 572983002 /nfs/dbraw/zinc/98/30/02/572983002.db2.gz KECJDGCVKWREFR-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+](C)Cc1ccco1 86809087 572983033 /nfs/dbraw/zinc/98/30/33/572983033.db2.gz SKQQKUUCRXEJNK-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+](C)Cc1ccco1 86809087 572983034 /nfs/dbraw/zinc/98/30/34/572983034.db2.gz SKQQKUUCRXEJNK-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@](C)([NH3+])C[NH2+]Cc1nccs1 86809712 572983068 /nfs/dbraw/zinc/98/30/68/572983068.db2.gz CCVJREWNHORVJU-SECBINFHSA-N 2 2 199.323 1.360 10 0 ADAELP c1cc(OC[C@H]2CC[NH2+]C2)cc[nH+]1 51889210 572983932 /nfs/dbraw/zinc/98/39/32/572983932.db2.gz YVBKKQRRKQIXCH-VIFPVBQESA-N 2 2 178.235 1.070 10 0 ADAELP CC[C@H](C)[N@H+](C)C[C@](C)([NH3+])CC 86809042 572983125 /nfs/dbraw/zinc/98/31/25/572983125.db2.gz YUDSPYCBEZIRLW-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@H](C)[N@@H+](C)C[C@](C)([NH3+])CC 86809042 572983127 /nfs/dbraw/zinc/98/31/27/572983127.db2.gz YUDSPYCBEZIRLW-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@](C)([NH3+])C[NH2+]Cc1nccs1 86809709 572983137 /nfs/dbraw/zinc/98/31/37/572983137.db2.gz CCVJREWNHORVJU-VIFPVBQESA-N 2 2 199.323 1.360 10 0 ADAELP CCC[N@H+](CC)C[C@](C)([NH3+])CC 86809012 572983199 /nfs/dbraw/zinc/98/31/99/572983199.db2.gz FVJUWWGNSQBDRP-SNVBAGLBSA-N 2 2 172.316 1.846 10 0 ADAELP CCC[N@@H+](CC)C[C@](C)([NH3+])CC 86809012 572983201 /nfs/dbraw/zinc/98/32/01/572983201.db2.gz FVJUWWGNSQBDRP-SNVBAGLBSA-N 2 2 172.316 1.846 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+](CC1CC1)C1CC1 86810600 572983236 /nfs/dbraw/zinc/98/32/36/572983236.db2.gz UWVLCPQOJOBBAM-GFCCVEGCSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+](CC1CC1)C1CC1 86810600 572983238 /nfs/dbraw/zinc/98/32/38/572983238.db2.gz UWVLCPQOJOBBAM-GFCCVEGCSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+](CC1CC1)C[C@@](C)([NH3+])CC 86810469 572983269 /nfs/dbraw/zinc/98/32/69/572983269.db2.gz UCIMCAOOLDTRQI-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@@](C)([NH3+])CC 86810469 572983271 /nfs/dbraw/zinc/98/32/71/572983271.db2.gz UCIMCAOOLDTRQI-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CC[N@H+](C[C@@](C)([NH3+])CC)C(C)C 86808993 572983284 /nfs/dbraw/zinc/98/32/84/572983284.db2.gz COTNQXGDKXPVHV-JTQLQIEISA-N 2 2 172.316 1.844 10 0 ADAELP CC[N@@H+](C[C@@](C)([NH3+])CC)C(C)C 86808993 572983286 /nfs/dbraw/zinc/98/32/86/572983286.db2.gz COTNQXGDKXPVHV-JTQLQIEISA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@H+](CC)C[C@@](C)([NH3+])CC 86809017 572983319 /nfs/dbraw/zinc/98/33/19/572983319.db2.gz FVJUWWGNSQBDRP-JTQLQIEISA-N 2 2 172.316 1.846 10 0 ADAELP CCC[N@@H+](CC)C[C@@](C)([NH3+])CC 86809017 572983320 /nfs/dbraw/zinc/98/33/20/572983320.db2.gz FVJUWWGNSQBDRP-JTQLQIEISA-N 2 2 172.316 1.846 10 0 ADAELP CC[C@](C)([NH3+])C[NH2+]Cc1ccc(C)o1 86810180 572983330 /nfs/dbraw/zinc/98/33/30/572983330.db2.gz QXVABXNXXAWQTE-NSHDSACASA-N 2 2 196.294 1.805 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](CC1CC1)C1CC1 86810597 572983341 /nfs/dbraw/zinc/98/33/41/572983341.db2.gz UWVLCPQOJOBBAM-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](CC1CC1)C1CC1 86810597 572983342 /nfs/dbraw/zinc/98/33/42/572983342.db2.gz UWVLCPQOJOBBAM-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](C)C[C@@H]1C[C@@H]1C 86810463 572983425 /nfs/dbraw/zinc/98/34/25/572983425.db2.gz RNTZLHSVURSHOO-DCAQKATOSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 86810463 572983426 /nfs/dbraw/zinc/98/34/26/572983426.db2.gz RNTZLHSVURSHOO-DCAQKATOSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+](C)CC(C)C 86809035 572983488 /nfs/dbraw/zinc/98/34/88/572983488.db2.gz YZYQSHZIEHXGCM-JTQLQIEISA-N 2 2 172.316 1.702 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+](C)CC(C)C 86809035 572983490 /nfs/dbraw/zinc/98/34/90/572983490.db2.gz YZYQSHZIEHXGCM-JTQLQIEISA-N 2 2 172.316 1.702 10 0 ADAELP c1cc(OC[C@@H]2CC[NH2+]C2)cc[nH+]1 51889209 572984804 /nfs/dbraw/zinc/98/48/04/572984804.db2.gz YVBKKQRRKQIXCH-SECBINFHSA-N 2 2 178.235 1.070 10 0 ADAELP c1cn(CC[C@@H]2CCC[NH2+]C2)c[nH+]1 51919810 572985841 /nfs/dbraw/zinc/98/58/41/572985841.db2.gz NFPWGTIFFQPEPE-JTQLQIEISA-N 2 2 179.267 1.273 10 0 ADAELP c1cn(CC[C@H]2CCC[NH2+]C2)c[nH+]1 51919812 572986506 /nfs/dbraw/zinc/98/65/06/572986506.db2.gz NFPWGTIFFQPEPE-SNVBAGLBSA-N 2 2 179.267 1.273 10 0 ADAELP Cc1sccc1C[N@@H+](C)C[C@@H](C)[NH3+] 308216382 572992580 /nfs/dbraw/zinc/99/25/80/572992580.db2.gz ZVTJBPYPKHDOMJ-MRVPVSSYSA-N 2 2 198.335 1.836 10 0 ADAELP Cc1sccc1C[N@H+](C)C[C@@H](C)[NH3+] 308216382 572992582 /nfs/dbraw/zinc/99/25/82/572992582.db2.gz ZVTJBPYPKHDOMJ-MRVPVSSYSA-N 2 2 198.335 1.836 10 0 ADAELP CC[C@H]([C@H](C)[NH3+])[N@@H+]1CCCC1(C)C 642826009 572993224 /nfs/dbraw/zinc/99/32/24/572993224.db2.gz WFPKZRDZQPHPEY-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([C@H](C)[NH3+])[N@H+]1CCCC1(C)C 642826009 572993228 /nfs/dbraw/zinc/99/32/28/572993228.db2.gz WFPKZRDZQPHPEY-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP Cc1sccc1C[N@@H+](C)C[C@H](C)[NH3+] 308216386 572993249 /nfs/dbraw/zinc/99/32/49/572993249.db2.gz ZVTJBPYPKHDOMJ-QMMMGPOBSA-N 2 2 198.335 1.836 10 0 ADAELP Cc1sccc1C[N@H+](C)C[C@H](C)[NH3+] 308216386 572993256 /nfs/dbraw/zinc/99/32/56/572993256.db2.gz ZVTJBPYPKHDOMJ-QMMMGPOBSA-N 2 2 198.335 1.836 10 0 ADAELP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)[NH3+] 308215826 572993947 /nfs/dbraw/zinc/99/39/47/572993947.db2.gz ZQXTZRCVLBKILG-NKWVEPMBSA-N 2 2 199.323 1.277 10 0 ADAELP C[NH2+][C@H](C[NH2+]C(C)C)c1ccncc1 259594080 572995100 /nfs/dbraw/zinc/99/51/00/572995100.db2.gz XWPOOLBPTWLGAM-LLVKDONJSA-N 2 2 193.294 1.340 10 0 ADAELP C[NH2+][C@@H](C[NH2+]C(C)C)c1ccncc1 259594085 572995369 /nfs/dbraw/zinc/99/53/69/572995369.db2.gz XWPOOLBPTWLGAM-NSHDSACASA-N 2 2 193.294 1.340 10 0 ADAELP C[N@@H+](CCF)CCCn1cc[nH+]c1 308218302 572997695 /nfs/dbraw/zinc/99/76/95/572997695.db2.gz BCDKVAXIIIETET-UHFFFAOYSA-N 2 2 185.246 1.175 10 0 ADAELP CC[C@@H]([C@H](C)[NH3+])[N@@H+]1CCCC1(C)C 642826008 572997777 /nfs/dbraw/zinc/99/77/77/572997777.db2.gz WFPKZRDZQPHPEY-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([C@H](C)[NH3+])[N@H+]1CCCC1(C)C 642826008 572997782 /nfs/dbraw/zinc/99/77/82/572997782.db2.gz WFPKZRDZQPHPEY-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP C[NH2+][C@H](CCOC)c1c[nH+]c(C)n1C 308471971 572998606 /nfs/dbraw/zinc/99/86/06/572998606.db2.gz JSCSBHIWLUJFSG-SECBINFHSA-N 2 2 197.282 1.026 10 0 ADAELP [NH3+]CCC[C@H]1Cc2cc(O)ccc2[NH2+]1 257919707 572999801 /nfs/dbraw/zinc/99/98/01/572999801.db2.gz BWQLXNJHFXGIRY-VIFPVBQESA-N 2 2 192.262 1.468 10 0 ADAELP CCC[C@@H](C)[C@@H]([NH3+])c1c[nH+]cn1C 233288849 573000873 /nfs/dbraw/zinc/00/08/73/573000873.db2.gz WKFBEJULJIJYLC-PSASIEDQSA-N 2 2 181.283 1.856 10 0 ADAELP CC(C)[N@H+](CC1CC1)C[C@@H]1CCC[NH2+]1 42593601 573001064 /nfs/dbraw/zinc/00/10/64/573001064.db2.gz PSABCIUXMUUQBW-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]1 42593601 573001069 /nfs/dbraw/zinc/00/10/69/573001069.db2.gz PSABCIUXMUUQBW-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](CC1CC1)C(C)C 42593652 573001159 /nfs/dbraw/zinc/00/11/59/573001159.db2.gz HOFNEXPQXOGEKM-NSHDSACASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](CC1CC1)C(C)C 42593652 573001164 /nfs/dbraw/zinc/00/11/64/573001164.db2.gz HOFNEXPQXOGEKM-NSHDSACASA-N 2 2 184.327 1.844 10 0 ADAELP CC1=CC[C@@H]2C(=[NH2+])NC(=[NH2+])[C@@H]2C1 238244211 573001582 /nfs/dbraw/zinc/00/15/82/573001582.db2.gz NOTKIDOKAZAHFF-NKWVEPMBSA-N 2 2 163.224 1.517 10 0 ADAELP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[C@H]21)[NH+](C)C 308220209 573001776 /nfs/dbraw/zinc/00/17/76/573001776.db2.gz OAVJDRMJURWSKJ-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP [NH3+][C@H]1CCc2[nH+]c3ccccc3n2C1 257918305 573001800 /nfs/dbraw/zinc/00/18/00/573001800.db2.gz RCFJKHFXUWQHTQ-QMMMGPOBSA-N 2 2 187.246 1.310 10 0 ADAELP C[NH2+][C@@H](CCOC)c1c[nH+]c(C)n1C 308471973 573002044 /nfs/dbraw/zinc/00/20/44/573002044.db2.gz JSCSBHIWLUJFSG-VIFPVBQESA-N 2 2 197.282 1.026 10 0 ADAELP C[NH2+]C[C@@H]1CC[C@@H]1n1cc[nH+]c1 87923675 573002170 /nfs/dbraw/zinc/00/21/70/573002170.db2.gz XYHPPIXIXKIFED-IUCAKERBSA-N 2 2 165.240 1.054 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](CC1CC1)C(C)C 42593655 573002227 /nfs/dbraw/zinc/00/22/27/573002227.db2.gz HOFNEXPQXOGEKM-LLVKDONJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](CC1CC1)C(C)C 42593655 573002232 /nfs/dbraw/zinc/00/22/32/573002232.db2.gz HOFNEXPQXOGEKM-LLVKDONJSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+]C[C@H]1CC[C@H]1n1cc[nH+]c1 87923678 573002576 /nfs/dbraw/zinc/00/25/76/573002576.db2.gz XYHPPIXIXKIFED-RKDXNWHRSA-N 2 2 165.240 1.054 10 0 ADAELP CC(C)[NH2+]C[C@H]([NH3+])c1cc[nH]c1 259305362 573003492 /nfs/dbraw/zinc/00/34/92/573003492.db2.gz KGRUDCUKPYXFJR-VIFPVBQESA-N 2 2 167.256 1.013 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[C@H]21 308473211 573003511 /nfs/dbraw/zinc/00/35/11/573003511.db2.gz KBUXETWWHMFDNT-QJPTWQEYSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[C@H]21 308473211 573003514 /nfs/dbraw/zinc/00/35/14/573003514.db2.gz KBUXETWWHMFDNT-QJPTWQEYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@H]1CC[C@@H](C)[N@@H+]1C[C@H](C)[NH2+]C 308220213 573003561 /nfs/dbraw/zinc/00/35/61/573003561.db2.gz OAZXKUPEHLEZJT-AXFHLTTASA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H]1CC[C@@H](C)[N@H+]1C[C@H](C)[NH2+]C 308220213 573003566 /nfs/dbraw/zinc/00/35/66/573003566.db2.gz OAZXKUPEHLEZJT-AXFHLTTASA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N@H+](C)CC(N)=[NH2+] 717026055 573003766 /nfs/dbraw/zinc/00/37/66/573003766.db2.gz RMYFDJNZUVPKAR-IMSYWVGJSA-N 2 2 195.310 1.146 10 0 ADAELP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N@@H+](C)CC(N)=[NH2+] 717026055 573003774 /nfs/dbraw/zinc/00/37/74/573003774.db2.gz RMYFDJNZUVPKAR-IMSYWVGJSA-N 2 2 195.310 1.146 10 0 ADAELP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N@H+](C)CC(N)=[NH2+] 717026057 573003945 /nfs/dbraw/zinc/00/39/45/573003945.db2.gz RMYFDJNZUVPKAR-KATARQTJSA-N 2 2 195.310 1.146 10 0 ADAELP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N@@H+](C)CC(N)=[NH2+] 717026057 573003955 /nfs/dbraw/zinc/00/39/55/573003955.db2.gz RMYFDJNZUVPKAR-KATARQTJSA-N 2 2 195.310 1.146 10 0 ADAELP CC(C)[NH2+]C[C@@H]([NH3+])c1cc[nH]c1 259305360 573004059 /nfs/dbraw/zinc/00/40/59/573004059.db2.gz KGRUDCUKPYXFJR-SECBINFHSA-N 2 2 167.256 1.013 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@@H+]1C[C@H](C)[NH2+]C 308220543 573005521 /nfs/dbraw/zinc/00/55/21/573005521.db2.gz OAZXKUPEHLEZJT-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@H+]1C[C@H](C)[NH2+]C 308220543 573005522 /nfs/dbraw/zinc/00/55/22/573005522.db2.gz OAZXKUPEHLEZJT-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N@H+](C)CC(N)=[NH2+] 717026058 573004826 /nfs/dbraw/zinc/00/48/26/573004826.db2.gz RMYFDJNZUVPKAR-XFWSIPNHSA-N 2 2 195.310 1.146 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N@@H+](C)CC(N)=[NH2+] 717026058 573004834 /nfs/dbraw/zinc/00/48/34/573004834.db2.gz RMYFDJNZUVPKAR-XFWSIPNHSA-N 2 2 195.310 1.146 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N@H+](C)CC(N)=[NH2+] 717026051 573005166 /nfs/dbraw/zinc/00/51/66/573005166.db2.gz RMYFDJNZUVPKAR-DOLQZWNJSA-N 2 2 195.310 1.146 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N@@H+](C)CC(N)=[NH2+] 717026051 573005177 /nfs/dbraw/zinc/00/51/77/573005177.db2.gz RMYFDJNZUVPKAR-DOLQZWNJSA-N 2 2 195.310 1.146 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308473209 573005233 /nfs/dbraw/zinc/00/52/33/573005233.db2.gz KBUXETWWHMFDNT-GRYCIOLGSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308473209 573005238 /nfs/dbraw/zinc/00/52/38/573005238.db2.gz KBUXETWWHMFDNT-GRYCIOLGSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21)[NH+](C)C 308220207 573005390 /nfs/dbraw/zinc/00/53/90/573005390.db2.gz OAVJDRMJURWSKJ-CHWFTXMASA-N 2 2 182.311 1.325 10 0 ADAELP C[NH2+]CC[NH2+][C@H](C)Cc1ccco1 42594000 573005564 /nfs/dbraw/zinc/00/55/64/573005564.db2.gz GABLYUHQXHSGCM-SECBINFHSA-N 2 2 182.267 1.020 10 0 ADAELP C[NH2+]C[C@H]1CC[C@@H]1n1cc[nH+]c1 87923676 573005719 /nfs/dbraw/zinc/00/57/19/573005719.db2.gz XYHPPIXIXKIFED-BDAKNGLRSA-N 2 2 165.240 1.054 10 0 ADAELP C[NH2+]CC[NH2+][C@@H](C)Cc1ccco1 42593997 573006237 /nfs/dbraw/zinc/00/62/37/573006237.db2.gz GABLYUHQXHSGCM-VIFPVBQESA-N 2 2 182.267 1.020 10 0 ADAELP C[C@@H](Cc1ccco1)[N@@H+](C)C[C@@H](C)[NH3+] 308473899 573006251 /nfs/dbraw/zinc/00/62/51/573006251.db2.gz JTYMJBJFZLWWES-ZJUUUORDSA-N 2 2 196.294 1.490 10 0 ADAELP C[C@@H](Cc1ccco1)[N@H+](C)C[C@@H](C)[NH3+] 308473899 573006263 /nfs/dbraw/zinc/00/62/63/573006263.db2.gz JTYMJBJFZLWWES-ZJUUUORDSA-N 2 2 196.294 1.490 10 0 ADAELP C[N@@H+]1CCCC[C@H]1c1nc(C[NH3+])co1 258216105 573006479 /nfs/dbraw/zinc/00/64/79/573006479.db2.gz USEQDAPSSTZHQP-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP C[N@H+]1CCCC[C@H]1c1nc(C[NH3+])co1 258216105 573006485 /nfs/dbraw/zinc/00/64/85/573006485.db2.gz USEQDAPSSTZHQP-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP C[NH2+]C[C@@H]1CC[C@H]1n1cc[nH+]c1 87923677 573006532 /nfs/dbraw/zinc/00/65/32/573006532.db2.gz XYHPPIXIXKIFED-DTWKUNHWSA-N 2 2 165.240 1.054 10 0 ADAELP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1ccco1 308473895 573006729 /nfs/dbraw/zinc/00/67/29/573006729.db2.gz JTYMJBJFZLWWES-UWVGGRQHSA-N 2 2 196.294 1.490 10 0 ADAELP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1ccco1 308473895 573006735 /nfs/dbraw/zinc/00/67/35/573006735.db2.gz JTYMJBJFZLWWES-UWVGGRQHSA-N 2 2 196.294 1.490 10 0 ADAELP CC[C@H](C[NH2+][C@H]1CC[C@H]1C)[NH+](C)C 308221527 573006958 /nfs/dbraw/zinc/00/69/58/573006958.db2.gz LKURJTGRNAPDLU-MXWKQRLJSA-N 2 2 184.327 1.715 10 0 ADAELP C[N@H+]1CCCC[C@@H]1c1nc(C[NH3+])co1 258216103 573007431 /nfs/dbraw/zinc/00/74/31/573007431.db2.gz USEQDAPSSTZHQP-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1c1nc(C[NH3+])co1 258216103 573007426 /nfs/dbraw/zinc/00/74/26/573007426.db2.gz USEQDAPSSTZHQP-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP C[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1ccco1 308473897 573007746 /nfs/dbraw/zinc/00/77/46/573007746.db2.gz JTYMJBJFZLWWES-VHSXEESVSA-N 2 2 196.294 1.490 10 0 ADAELP C[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1ccco1 308473897 573007754 /nfs/dbraw/zinc/00/77/54/573007754.db2.gz JTYMJBJFZLWWES-VHSXEESVSA-N 2 2 196.294 1.490 10 0 ADAELP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)Cc1ccco1 308473893 573007825 /nfs/dbraw/zinc/00/78/25/573007825.db2.gz JTYMJBJFZLWWES-NXEZZACHSA-N 2 2 196.294 1.490 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1ccco1 308473893 573007829 /nfs/dbraw/zinc/00/78/29/573007829.db2.gz JTYMJBJFZLWWES-NXEZZACHSA-N 2 2 196.294 1.490 10 0 ADAELP CC[C@H](C[NH2+][C@@H]1CC[C@@H]1C)[NH+](C)C 308221524 573008534 /nfs/dbraw/zinc/00/85/34/573008534.db2.gz LKURJTGRNAPDLU-HBNTYKKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[NH2+]CC[NH2+]CCc1ccco1 42594409 573010063 /nfs/dbraw/zinc/01/00/63/573010063.db2.gz VIBXOFITCOXXSY-UHFFFAOYSA-N 2 2 196.294 1.410 10 0 ADAELP CC1(C)C[C@H]2C[C@@](C)(C1)[C@@H]([NH3+])[NH2+]2 238251137 573010377 /nfs/dbraw/zinc/01/03/77/573010377.db2.gz LDEFNLYURSXXPB-NRPADANISA-N 2 2 168.284 1.459 10 0 ADAELP CC1(c2[nH]cc(CC[NH3+])[nH+]2)CCC1 259598875 573010649 /nfs/dbraw/zinc/01/06/49/573010649.db2.gz CZFPFZGOUWNXIE-UHFFFAOYSA-N 2 2 179.267 1.353 10 0 ADAELP CC(C)[N@@H+]1CCCC[NH2+]C(C)(C)C1 259308771 573010711 /nfs/dbraw/zinc/01/07/11/573010711.db2.gz HUWKKFXZEUGBRL-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[N@H+]1CCCC[NH2+]C(C)(C)C1 259308771 573010717 /nfs/dbraw/zinc/01/07/17/573010717.db2.gz HUWKKFXZEUGBRL-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)[NH3+] 308475555 573010775 /nfs/dbraw/zinc/01/07/75/573010775.db2.gz DMQKXKKLLISFFK-NXEZZACHSA-N 2 2 193.294 1.215 10 0 ADAELP CCC(CC)Cn1cc[nH+]c1CC[NH3+] 128381381 573010833 /nfs/dbraw/zinc/01/08/33/573010833.db2.gz FIDVLXSSQISXCO-UHFFFAOYSA-N 2 2 195.310 1.821 10 0 ADAELP CCc1occc1C[NH2+]C(C)(C)C[NH3+] 308475545 573012028 /nfs/dbraw/zinc/01/20/28/573012028.db2.gz KYJBWYJSCGGRJO-UHFFFAOYSA-N 2 2 196.294 1.669 10 0 ADAELP Cc1cccnc1C[NH2+][C@H](C)[C@H](C)[NH3+] 308475557 573012840 /nfs/dbraw/zinc/01/28/40/573012840.db2.gz DMQKXKKLLISFFK-VHSXEESVSA-N 2 2 193.294 1.215 10 0 ADAELP CC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 42597715 573012414 /nfs/dbraw/zinc/01/24/14/573012414.db2.gz DIDQPJSYDATLMH-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H](C)C1CC1 42597549 573012521 /nfs/dbraw/zinc/01/25/21/573012521.db2.gz WFJPCSZPUHYHNL-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CCCn1cc[nH+]c1[C@@H]1CC[C@H]1[NH3+] 87935375 573012577 /nfs/dbraw/zinc/01/25/77/573012577.db2.gz RYPKYVCZMOIAKJ-RKDXNWHRSA-N 2 2 179.267 1.498 10 0 ADAELP CCCc1[nH]cc([C@@H]2CCC[NH2+]C2)[nH+]1 238252341 573012604 /nfs/dbraw/zinc/01/26/04/573012604.db2.gz AYYCZTMIKMUFIV-SECBINFHSA-N 2 2 193.294 1.829 10 0 ADAELP CCCc1[nH]c([C@@H]2CCC[NH2+]C2)c[nH+]1 238252341 573012611 /nfs/dbraw/zinc/01/26/11/573012611.db2.gz AYYCZTMIKMUFIV-SECBINFHSA-N 2 2 193.294 1.829 10 0 ADAELP CCC(CC)Cn1c[nH+]c(CC[NH3+])c1 128374316 573012641 /nfs/dbraw/zinc/01/26/41/573012641.db2.gz LMRPCQCEAQBWLL-UHFFFAOYSA-N 2 2 195.310 1.821 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[C@H]1[NH3+] 87935512 573012692 /nfs/dbraw/zinc/01/26/92/573012692.db2.gz ZMGFVSLVXPXUMU-HTQZYQBOSA-N 2 2 165.240 1.108 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[C@@H]1[NH3+] 87935511 573012751 /nfs/dbraw/zinc/01/27/51/573012751.db2.gz ZMGFVSLVXPXUMU-YUMQZZPRSA-N 2 2 165.240 1.108 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H]2C[C@H]21 308475461 573012789 /nfs/dbraw/zinc/01/27/89/573012789.db2.gz KWHFCIRQEVNBST-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCC1 42597712 573012907 /nfs/dbraw/zinc/01/29/07/573012907.db2.gz DIDQPJSYDATLMH-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 42597704 573012960 /nfs/dbraw/zinc/01/29/60/573012960.db2.gz DIDQPJSYDATLMH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[C@H]1[NH3+] 87935513 573012990 /nfs/dbraw/zinc/01/29/90/573012990.db2.gz ZMGFVSLVXPXUMU-JGVFFNPUSA-N 2 2 165.240 1.108 10 0 ADAELP [NH3+][C@@H]1C2CC[NH+](CC2)[C@H]1C1CCCC1 258220864 573013020 /nfs/dbraw/zinc/01/30/20/573013020.db2.gz YNIBOLWHMYCMPT-NEPJUHHUSA-N 2 2 194.322 1.598 10 0 ADAELP CCCn1cc[nH+]c1[C@@H]1CC[C@@H]1[NH3+] 87935373 573013045 /nfs/dbraw/zinc/01/30/45/573013045.db2.gz RYPKYVCZMOIAKJ-BDAKNGLRSA-N 2 2 179.267 1.498 10 0 ADAELP C[C@H]([NH2+][C@H](C)C[NH+]1CCCC1)C1CC1 42597544 573013276 /nfs/dbraw/zinc/01/32/76/573013276.db2.gz WFJPCSZPUHYHNL-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+][C@@H]1C2CC[NH+](CC2)[C@@H]1C1CCCC1 258220881 573013328 /nfs/dbraw/zinc/01/33/28/573013328.db2.gz YNIBOLWHMYCMPT-VXGBXAGGSA-N 2 2 194.322 1.598 10 0 ADAELP [NH3+][C@H]1C2CC[NH+](CC2)[C@H]1C1CCCC1 258220875 573013443 /nfs/dbraw/zinc/01/34/43/573013443.db2.gz YNIBOLWHMYCMPT-RYUDHWBXSA-N 2 2 194.322 1.598 10 0 ADAELP CCCc1[nH]cc([C@H]2CCC[NH2+]C2)[nH+]1 238252593 573013633 /nfs/dbraw/zinc/01/36/33/573013633.db2.gz AYYCZTMIKMUFIV-VIFPVBQESA-N 2 2 193.294 1.829 10 0 ADAELP CCCc1[nH]c([C@H]2CCC[NH2+]C2)c[nH+]1 238252593 573013640 /nfs/dbraw/zinc/01/36/40/573013640.db2.gz AYYCZTMIKMUFIV-VIFPVBQESA-N 2 2 193.294 1.829 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[C@@H]1[NH3+] 87935510 573013920 /nfs/dbraw/zinc/01/39/20/573013920.db2.gz ZMGFVSLVXPXUMU-SFYZADRCSA-N 2 2 165.240 1.108 10 0 ADAELP CCCn1cc[nH+]c1[C@H]1CC[C@H]1[NH3+] 87935376 573013947 /nfs/dbraw/zinc/01/39/47/573013947.db2.gz RYPKYVCZMOIAKJ-DTWKUNHWSA-N 2 2 179.267 1.498 10 0 ADAELP C[C@H](C[NH+]1CCCC1)[NH2+]CC1CC1 42598107 573014009 /nfs/dbraw/zinc/01/40/09/573014009.db2.gz QFFPYIBVBUYPOF-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCC1 42597708 573015112 /nfs/dbraw/zinc/01/51/12/573015112.db2.gz DIDQPJSYDATLMH-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCCn1cc[nH+]c1[C@H]1CC[C@@H]1[NH3+] 87935374 573015785 /nfs/dbraw/zinc/01/57/85/573015785.db2.gz RYPKYVCZMOIAKJ-IUCAKERBSA-N 2 2 179.267 1.498 10 0 ADAELP Cc1[nH+]ccn1-c1cccc2[nH+]ccn12 128308287 573016192 /nfs/dbraw/zinc/01/61/92/573016192.db2.gz ZYEKVUCWQUCPQB-UHFFFAOYSA-N 2 2 198.229 1.828 10 0 ADAELP Cc1cccc2[nH+]c(CC[NH3+])n(C)c12 82390811 573016651 /nfs/dbraw/zinc/01/66/51/573016651.db2.gz MHSLLFXYLUQKJZ-UHFFFAOYSA-N 2 2 189.262 1.383 10 0 ADAELP CCc1c[nH]c([C@@H](C[NH2+]C)C(C)C)[nH+]1 259033959 573018624 /nfs/dbraw/zinc/01/86/24/573018624.db2.gz GUBWBKDGZFTITQ-JTQLQIEISA-N 2 2 195.310 1.931 10 0 ADAELP CC(C)[C@@H](C[NH2+]C1CC1)[NH+]1CCC1 308226522 573018765 /nfs/dbraw/zinc/01/87/65/573018765.db2.gz QXCXOKHHSUVRAE-LLVKDONJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2[nH+]ccn2C)C1 87936090 573019026 /nfs/dbraw/zinc/01/90/26/573019026.db2.gz AQIFKBUEMHNWQO-BBBLOLIVSA-N 2 2 193.294 1.651 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2[nH+]ccn2C)C1 87936092 573019223 /nfs/dbraw/zinc/01/92/23/573019223.db2.gz AQIFKBUEMHNWQO-OPRDCNLKSA-N 2 2 193.294 1.651 10 0 ADAELP Cn1cc[nH+]c1CC[NH2+]CCCCF 308484015 573019902 /nfs/dbraw/zinc/01/99/02/573019902.db2.gz IHEQXBNJBSCVDD-UHFFFAOYSA-N 2 2 199.273 1.302 10 0 ADAELP CC(C)C[C@H](C)[N@H+](C)CC(N)=[NH2+] 42603608 573019631 /nfs/dbraw/zinc/01/96/31/573019631.db2.gz UNQYHLZXJRNOAU-QMMMGPOBSA-N 2 2 171.288 1.289 10 0 ADAELP CC(C)C[C@H](C)[N@@H+](C)CC(N)=[NH2+] 42603608 573019637 /nfs/dbraw/zinc/01/96/37/573019637.db2.gz UNQYHLZXJRNOAU-QMMMGPOBSA-N 2 2 171.288 1.289 10 0 ADAELP C[NH2+]C(C)(C)[C@H](C(C)C)[NH+](C)C 259311833 573019761 /nfs/dbraw/zinc/01/97/61/573019761.db2.gz DIJDDCBTZSUPCZ-VIFPVBQESA-N 2 2 172.316 1.571 10 0 ADAELP CC(C)[N@@H+](CC(N)=[NH2+])CC1CC1 42603609 573019797 /nfs/dbraw/zinc/01/97/97/573019797.db2.gz YUZMDBKGYSFOJC-UHFFFAOYSA-N 2 2 169.272 1.043 10 0 ADAELP CC(C)[N@H+](CC(N)=[NH2+])CC1CC1 42603609 573019801 /nfs/dbraw/zinc/01/98/01/573019801.db2.gz YUZMDBKGYSFOJC-UHFFFAOYSA-N 2 2 169.272 1.043 10 0 ADAELP CCc1c[nH]c([C@H](C[NH2+]C)C(C)C)[nH+]1 259033962 573020294 /nfs/dbraw/zinc/02/02/94/573020294.db2.gz GUBWBKDGZFTITQ-SNVBAGLBSA-N 2 2 195.310 1.931 10 0 ADAELP CC(C)[C@H](C[NH2+]C1CC1)[NH+]1CCC1 308226523 573020695 /nfs/dbraw/zinc/02/06/95/573020695.db2.gz QXCXOKHHSUVRAE-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]([NH3+])C1([NH+](C)C)CCCCC1 82400759 573021172 /nfs/dbraw/zinc/02/11/72/573021172.db2.gz AYAQHXMNXJKHPW-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP Cc1ccc([C@@H]2CC[C@@H]2C[NH3+])c[nH+]1 87942777 573021362 /nfs/dbraw/zinc/02/13/62/573021362.db2.gz JHCUWKNPBTWEFK-MWLCHTKSSA-N 2 2 176.263 1.842 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1CC[C@@H]1C[NH3+] 87941968 573021549 /nfs/dbraw/zinc/02/15/49/573021549.db2.gz OOPOSXIRCDHNSQ-NXEZZACHSA-N 2 2 176.263 1.842 10 0 ADAELP Cc1cc[nH+]cc1[C@H]1CC[C@H]1C[NH3+] 87941974 573021896 /nfs/dbraw/zinc/02/18/96/573021896.db2.gz OOPOSXIRCDHNSQ-UWVGGRQHSA-N 2 2 176.263 1.842 10 0 ADAELP CC(C)C[N@H+](C)[C@H]1C[NH2+]CC[C@H]1C 85439273 573021913 /nfs/dbraw/zinc/02/19/13/573021913.db2.gz QVBKMVZRNZQUPB-MNOVXSKESA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)C[N@@H+](C)[C@H]1C[NH2+]CC[C@H]1C 85439273 573021916 /nfs/dbraw/zinc/02/19/16/573021916.db2.gz QVBKMVZRNZQUPB-MNOVXSKESA-N 2 2 184.327 1.572 10 0 ADAELP Cc1ccc([C@H]2CC[C@H]2C[NH3+])c[nH+]1 87942783 573022257 /nfs/dbraw/zinc/02/22/57/573022257.db2.gz JHCUWKNPBTWEFK-ONGXEEELSA-N 2 2 176.263 1.842 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H]1C[NH2+]CC[C@H]1C 85439356 573022304 /nfs/dbraw/zinc/02/23/04/573022304.db2.gz UMCPASVSPZNCNT-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H]1C[NH2+]CC[C@H]1C 85439356 573022310 /nfs/dbraw/zinc/02/23/10/573022310.db2.gz UMCPASVSPZNCNT-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+](C)C1CCCC1 85439252 573022486 /nfs/dbraw/zinc/02/24/86/573022486.db2.gz CGWUQWWIULAMHP-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+](C)C1CCCC1 85439252 573022495 /nfs/dbraw/zinc/02/24/95/573022495.db2.gz CGWUQWWIULAMHP-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[NH+]1CCCCCC1 85439177 573022718 /nfs/dbraw/zinc/02/27/18/573022718.db2.gz KUXFPHBRCJSVKM-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@@H+]1CCCC1(C)C 85439909 573022872 /nfs/dbraw/zinc/02/28/72/573022872.db2.gz IYTMRSAPQWEZLO-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@H+]1CCCC1(C)C 85439909 573022878 /nfs/dbraw/zinc/02/28/78/573022878.db2.gz IYTMRSAPQWEZLO-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@H+](C)C1CCCC1 85439259 573022914 /nfs/dbraw/zinc/02/29/14/573022914.db2.gz CGWUQWWIULAMHP-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@@H+](C)C1CCCC1 85439259 573022921 /nfs/dbraw/zinc/02/29/21/573022921.db2.gz CGWUQWWIULAMHP-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[NH+]1CCCCCC1 85439173 573023790 /nfs/dbraw/zinc/02/37/90/573023790.db2.gz KUXFPHBRCJSVKM-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1cc[nH+]cc1NCCC[NH3+] 85439019 573024123 /nfs/dbraw/zinc/02/41/23/573024123.db2.gz UPAKSSJJQTYMJO-UHFFFAOYSA-N 2 2 165.240 1.151 10 0 ADAELP C[N@@H+](CCCCF)CC[NH2+]C1CC1 308228494 573024168 /nfs/dbraw/zinc/02/41/68/573024168.db2.gz RXOMPUDPQORWMZ-UHFFFAOYSA-N 2 2 188.290 1.420 10 0 ADAELP C[N@H+](CCCCF)CC[NH2+]C1CC1 308228494 573024160 /nfs/dbraw/zinc/02/41/60/573024160.db2.gz RXOMPUDPQORWMZ-UHFFFAOYSA-N 2 2 188.290 1.420 10 0 ADAELP C[C@@H](C[NH2+]C1CC1)[NH2+]CC(C)(C)F 308228458 573024245 /nfs/dbraw/zinc/02/42/45/573024245.db2.gz RTWYXMBMJYTXGP-QMMMGPOBSA-N 2 2 188.290 1.465 10 0 ADAELP C[C@H]([NH3+])C(C)(C)[NH+]1CCCCCC1 82392984 573024255 /nfs/dbraw/zinc/02/42/55/573024255.db2.gz AGUSOWVJMFQZSK-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP COC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438525 573024277 /nfs/dbraw/zinc/02/42/77/573024277.db2.gz AKLGQOYVHHUZBQ-GHMZBOCLSA-N 2 2 198.310 1.054 10 0 ADAELP COC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438525 573024286 /nfs/dbraw/zinc/02/42/86/573024286.db2.gz AKLGQOYVHHUZBQ-GHMZBOCLSA-N 2 2 198.310 1.054 10 0 ADAELP CCCCC[NH2+]C[C@H](C)[NH+]1CCC1 308227311 573024292 /nfs/dbraw/zinc/02/42/92/573024292.db2.gz RIDBRUHBEPLAPQ-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCCC1(C)C 85439907 573024436 /nfs/dbraw/zinc/02/44/36/573024436.db2.gz IYTMRSAPQWEZLO-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@H+]1CCCC1(C)C 85439907 573024443 /nfs/dbraw/zinc/02/44/43/573024443.db2.gz IYTMRSAPQWEZLO-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCCCC[NH2+]C[C@@H](C)[NH+]1CCC1 308227308 573025429 /nfs/dbraw/zinc/02/54/29/573025429.db2.gz RIDBRUHBEPLAPQ-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP C[C@H]([NH3+])C1([NH+]2CCCC2)CCCC1 82394943 573025635 /nfs/dbraw/zinc/02/56/35/573025635.db2.gz DAXUAKCAYUPBCV-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP C[C@H](C[NH2+]C1CC1)[NH2+]CC(C)(C)F 308228457 573025648 /nfs/dbraw/zinc/02/56/48/573025648.db2.gz RTWYXMBMJYTXGP-MRVPVSSYSA-N 2 2 188.290 1.465 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCCC1(C)C 85439905 573025668 /nfs/dbraw/zinc/02/56/68/573025668.db2.gz IYTMRSAPQWEZLO-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+]1CCCC1(C)C 85439905 573025674 /nfs/dbraw/zinc/02/56/74/573025674.db2.gz IYTMRSAPQWEZLO-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439358 573025811 /nfs/dbraw/zinc/02/58/11/573025811.db2.gz UMCPASVSPZNCNT-SRVKXCTJSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 85439358 573025815 /nfs/dbraw/zinc/02/58/15/573025815.db2.gz UMCPASVSPZNCNT-SRVKXCTJSA-N 2 2 198.354 1.961 10 0 ADAELP [NH3+][C@H](c1ccccc1)C12CC(C[NH2+]1)C2 113701520 573025830 /nfs/dbraw/zinc/02/58/30/573025830.db2.gz JSNVMEUNGCRFKJ-CKBZRRDASA-N 2 2 188.274 1.438 10 0 ADAELP CCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C)o1 308477007 573025848 /nfs/dbraw/zinc/02/58/48/573025848.db2.gz FBXNEFNGRAYQPB-JTQLQIEISA-N 2 2 196.294 1.805 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1C[NH2+]CC[C@@H]1C 85439244 573025871 /nfs/dbraw/zinc/02/58/71/573025871.db2.gz MLBZLODFCJVFMA-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1C[NH2+]CC[C@@H]1C 85439244 573025873 /nfs/dbraw/zinc/02/58/73/573025873.db2.gz MLBZLODFCJVFMA-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H]([NH3+])C1([NH+](C)C)CCCC1 82400757 573026048 /nfs/dbraw/zinc/02/60/48/573026048.db2.gz NWKYHQWLSFVADC-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[NH+]1CCCC1 85439119 573026566 /nfs/dbraw/zinc/02/65/66/573026566.db2.gz CJQPLHUWYCBJCS-VHSXEESVSA-N 2 2 168.284 1.080 10 0 ADAELP F[C@@]1(C[NH2+]C2CCC2)CCC[NH2+]C1 257924647 573026796 /nfs/dbraw/zinc/02/67/96/573026796.db2.gz RXUQGIMQYUUAGH-JTQLQIEISA-N 2 2 186.274 1.220 10 0 ADAELP CCc1c(F)cccc1[C@H]([NH3+])C[NH3+] 104576047 573026881 /nfs/dbraw/zinc/02/68/81/573026881.db2.gz PAFFRIKWYWMICM-SNVBAGLBSA-N 2 2 182.242 1.347 10 0 ADAELP F[C@]1(C[NH2+]C2CCC2)CCC[NH2+]C1 257924653 573027063 /nfs/dbraw/zinc/02/70/63/573027063.db2.gz RXUQGIMQYUUAGH-SNVBAGLBSA-N 2 2 186.274 1.220 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@H+](C)C1CCCC1 85439254 573027948 /nfs/dbraw/zinc/02/79/48/573027948.db2.gz CGWUQWWIULAMHP-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@@H+](C)C1CCCC1 85439254 573027953 /nfs/dbraw/zinc/02/79/53/573027953.db2.gz CGWUQWWIULAMHP-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]CC/C=C\c1c[nH+]ccc1OC 308479038 573028089 /nfs/dbraw/zinc/02/80/89/573028089.db2.gz LPQINDISKWKUFG-HYXAFXHYSA-N 2 2 192.262 1.713 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1C[NH2+]CC[C@@H]1C 85439454 573028129 /nfs/dbraw/zinc/02/81/29/573028129.db2.gz HOQPBDFAGKQPTF-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1C[NH2+]CC[C@@H]1C 85439454 573028130 /nfs/dbraw/zinc/02/81/30/573028130.db2.gz HOQPBDFAGKQPTF-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCCC[N@@H+]1[C@H]1C[NH2+]CC[C@H]1C 85439136 573028261 /nfs/dbraw/zinc/02/82/61/573028261.db2.gz KYWKKYUEOFYGOD-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CCc1cccc(F)c1[C@H]([NH3+])C[NH3+] 104578583 573028476 /nfs/dbraw/zinc/02/84/76/573028476.db2.gz DGMDBQNPOORMAT-SECBINFHSA-N 2 2 182.242 1.347 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH+]1CCCC1 85439113 573028482 /nfs/dbraw/zinc/02/84/82/573028482.db2.gz CJQPLHUWYCBJCS-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@H]1C[NH2+]CC[C@H]1C 85439447 573028525 /nfs/dbraw/zinc/02/85/25/573028525.db2.gz IAZHLMZGDHCOTN-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@H]1C[NH2+]CC[C@H]1C 85439447 573028534 /nfs/dbraw/zinc/02/85/34/573028534.db2.gz IAZHLMZGDHCOTN-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@@H+]1CCC[C@@H](C)C1 85439166 573028556 /nfs/dbraw/zinc/02/85/56/573028556.db2.gz QMRKIJNCEBBVLA-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@H+]1CCC[C@@H](C)C1 85439166 573028560 /nfs/dbraw/zinc/02/85/60/573028560.db2.gz QMRKIJNCEBBVLA-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP CCCCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 49661083 573029168 /nfs/dbraw/zinc/02/91/68/573029168.db2.gz FRAPBLPOKQISAV-LLVKDONJSA-N 2 2 184.327 1.718 10 0 ADAELP CCCCC[N@H+]1CC[NH2+]C[C@@H](C)C1 49661083 573029175 /nfs/dbraw/zinc/02/91/75/573029175.db2.gz FRAPBLPOKQISAV-LLVKDONJSA-N 2 2 184.327 1.718 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 82424947 573029300 /nfs/dbraw/zinc/02/93/00/573029300.db2.gz UYNGXENKXVGHAM-MNOVXSKESA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 82424947 573029307 /nfs/dbraw/zinc/02/93/07/573029307.db2.gz UYNGXENKXVGHAM-MNOVXSKESA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1CC[C@H]([NH3+])C1 85442718 573029323 /nfs/dbraw/zinc/02/93/23/573029323.db2.gz BZFDKPCRBXGYQW-ZJUUUORDSA-N 2 2 176.263 1.985 10 0 ADAELP C[NH2+]CC/C=C/c1c[nH+]ccc1OC 308479037 573029362 /nfs/dbraw/zinc/02/93/62/573029362.db2.gz LPQINDISKWKUFG-HWKANZROSA-N 2 2 192.262 1.713 10 0 ADAELP CCC[NH+](CCC)[C@H]1CC[NH2+][C@H]1C 308230727 573029807 /nfs/dbraw/zinc/02/98/07/573029807.db2.gz SQVOMCJWXWNGNI-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH+](CCC)[C@@H]1CC[NH2+][C@H]1C 308230728 573030745 /nfs/dbraw/zinc/03/07/45/573030745.db2.gz SQVOMCJWXWNGNI-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH+](CCC)[C@H]1CC[NH2+][C@@H]1C 308230726 573030547 /nfs/dbraw/zinc/03/05/47/573030547.db2.gz SQVOMCJWXWNGNI-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP Cc1cc[nH+]cc1[C@H]1CC[C@@H]([NH3+])C1 85442724 573030741 /nfs/dbraw/zinc/03/07/41/573030741.db2.gz BZFDKPCRBXGYQW-VHSXEESVSA-N 2 2 176.263 1.985 10 0 ADAELP CCCCC[N@@H+]1CC[NH2+]C[C@H](C)C1 49661082 573030763 /nfs/dbraw/zinc/03/07/63/573030763.db2.gz FRAPBLPOKQISAV-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP CCCCC[N@H+]1CC[NH2+]C[C@H](C)C1 49661082 573030767 /nfs/dbraw/zinc/03/07/67/573030767.db2.gz FRAPBLPOKQISAV-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP Cc1cc[nH+]cc1C[C@@H](C)C[NH3+] 85442865 573031210 /nfs/dbraw/zinc/03/12/10/573031210.db2.gz VKZVUUBAPHFHJR-MRVPVSSYSA-N 2 2 164.252 1.527 10 0 ADAELP CCc1ccc(F)cc1[C@H]([NH3+])C[NH3+] 104580547 573031734 /nfs/dbraw/zinc/03/17/34/573031734.db2.gz YHKDWAWNTMIIME-SNVBAGLBSA-N 2 2 182.242 1.347 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 82424948 573031846 /nfs/dbraw/zinc/03/18/46/573031846.db2.gz UYNGXENKXVGHAM-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 82424948 573031852 /nfs/dbraw/zinc/03/18/52/573031852.db2.gz UYNGXENKXVGHAM-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP CCc1cccc(F)c1[C@@H]([NH3+])C[NH3+] 104578588 573031976 /nfs/dbraw/zinc/03/19/76/573031976.db2.gz DGMDBQNPOORMAT-VIFPVBQESA-N 2 2 182.242 1.347 10 0 ADAELP CCc1ccc(F)cc1[C@@H]([NH3+])C[NH3+] 104580549 573032098 /nfs/dbraw/zinc/03/20/98/573032098.db2.gz YHKDWAWNTMIIME-JTQLQIEISA-N 2 2 182.242 1.347 10 0 ADAELP CC[C@@H](C)[NH2+]C1(C[NH+](C)C)CCC1 308236514 573032118 /nfs/dbraw/zinc/03/21/18/573032118.db2.gz QYFQSQPDTWSLCZ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1CC[C@@H]([NH3+])C1 85442722 573032305 /nfs/dbraw/zinc/03/23/05/573032305.db2.gz BZFDKPCRBXGYQW-NXEZZACHSA-N 2 2 176.263 1.985 10 0 ADAELP CCOc1cc(C)[nH+]c(C)c1C[NH3+] 87974959 573032335 /nfs/dbraw/zinc/03/23/35/573032335.db2.gz FCROSMMTFPLXBM-UHFFFAOYSA-N 2 2 180.251 1.556 10 0 ADAELP Cc1cc[nH+]cc1C[C@H](C)C[NH3+] 85442867 573032523 /nfs/dbraw/zinc/03/25/23/573032523.db2.gz VKZVUUBAPHFHJR-QMMMGPOBSA-N 2 2 164.252 1.527 10 0 ADAELP COc1cc(C)[nH+]c(C)c1C[NH3+] 87974956 573032599 /nfs/dbraw/zinc/03/25/99/573032599.db2.gz FVKFJULNMMUKNN-UHFFFAOYSA-N 2 2 166.224 1.166 10 0 ADAELP Cc1cc[nH+]cc1CC[C@@H](C)[NH3+] 85442715 573032620 /nfs/dbraw/zinc/03/26/20/573032620.db2.gz CZTWXROQFYZQTO-SECBINFHSA-N 2 2 164.252 1.670 10 0 ADAELP Cc1oc(C[NH3+])nc1[C@@H]1CCCC[NH2+]1 258229974 573032679 /nfs/dbraw/zinc/03/26/79/573032679.db2.gz ZJUXEACNCJDEGR-QMMMGPOBSA-N 2 2 195.266 1.256 10 0 ADAELP Cc1cc[nH+]cc1[C@H]1CC[C@H]([NH3+])C1 85442720 573033088 /nfs/dbraw/zinc/03/30/88/573033088.db2.gz BZFDKPCRBXGYQW-UWVGGRQHSA-N 2 2 176.263 1.985 10 0 ADAELP CC[C@H](C[NH2+]C(C)(C)C)[NH+]1CCC1 308236296 573033160 /nfs/dbraw/zinc/03/31/60/573033160.db2.gz WELDKSDCQROFSS-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@@H+]1CCC[NH2+]CC1 82424949 573033526 /nfs/dbraw/zinc/03/35/26/573033526.db2.gz UYNGXENKXVGHAM-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@H+]1CCC[NH2+]CC1 82424949 573033530 /nfs/dbraw/zinc/03/35/30/573033530.db2.gz UYNGXENKXVGHAM-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP CCCc1[nH+]c(C2C[NH2+]C2)[nH]c1C 258526340 573033743 /nfs/dbraw/zinc/03/37/43/573033743.db2.gz HVKOPIOJEFSXEZ-UHFFFAOYSA-N 2 2 179.267 1.357 10 0 ADAELP CCCc1[nH]c(C2C[NH2+]C2)[nH+]c1C 258526340 573033746 /nfs/dbraw/zinc/03/37/46/573033746.db2.gz HVKOPIOJEFSXEZ-UHFFFAOYSA-N 2 2 179.267 1.357 10 0 ADAELP CCC[C@H]1[NH2+]CC[C@@H]2CCCC[N@@H+]21 238248805 573033794 /nfs/dbraw/zinc/03/37/94/573033794.db2.gz BOKZSODTQNDROT-QWRGUYRKSA-N 2 2 182.311 1.960 10 0 ADAELP CCC[C@H]1[NH2+]CC[C@@H]2CCCC[N@H+]21 238248805 573033796 /nfs/dbraw/zinc/03/37/96/573033796.db2.gz BOKZSODTQNDROT-QWRGUYRKSA-N 2 2 182.311 1.960 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])[C@]12CCc1occc12 257695825 573034390 /nfs/dbraw/zinc/03/43/90/573034390.db2.gz PDOGIMRERIKSTB-GHMZBOCLSA-N 2 2 192.262 1.084 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])[C@]12CCc1occc12 257695825 573034395 /nfs/dbraw/zinc/03/43/95/573034395.db2.gz PDOGIMRERIKSTB-GHMZBOCLSA-N 2 2 192.262 1.084 10 0 ADAELP C[C@@H](C[NH3+])Cc1[nH]c2ccccc2[nH+]1 87981103 573034612 /nfs/dbraw/zinc/03/46/12/573034612.db2.gz JPAXCZPPANVSCQ-MRVPVSSYSA-N 2 2 189.262 1.700 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1[C@H]1CC[NH2+]C1 257924967 573035108 /nfs/dbraw/zinc/03/51/08/573035108.db2.gz RZOWZTLKZYRAPC-QMMMGPOBSA-N 2 2 177.251 1.364 10 0 ADAELP CCc1c(C)cccc1[C@H]([NH3+])C[NH3+] 104581118 573034821 /nfs/dbraw/zinc/03/48/21/573034821.db2.gz PXPLHUXPLJNNEI-LLVKDONJSA-N 2 2 178.279 1.516 10 0 ADAELP CCc1cc(F)ccc1[C@H]([NH3+])C[NH3+] 104581605 573034925 /nfs/dbraw/zinc/03/49/25/573034925.db2.gz OBPKZKUFFWMUGN-SNVBAGLBSA-N 2 2 182.242 1.347 10 0 ADAELP C[C@@]1(C[NH3+])CCN(c2cccc[nH+]2)C1 235441169 573035184 /nfs/dbraw/zinc/03/51/84/573035184.db2.gz HZODBQWVEPOMRX-NSHDSACASA-N 2 2 191.278 1.257 10 0 ADAELP CCc1ccc(C)cc1[C@H]([NH3+])C[NH3+] 104581565 573035375 /nfs/dbraw/zinc/03/53/75/573035375.db2.gz ZRVZKCPIHYZBJA-LLVKDONJSA-N 2 2 178.279 1.516 10 0 ADAELP CC[C@@H](C[NH2+]C(C)(C)C)[NH+]1CCC1 308236284 573035598 /nfs/dbraw/zinc/03/55/98/573035598.db2.gz WELDKSDCQROFSS-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]C1(C[NH+](C)C)CCC1 308236500 573035705 /nfs/dbraw/zinc/03/57/05/573035705.db2.gz QYFQSQPDTWSLCZ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCc1c(C)cccc1[C@@H]([NH3+])C[NH3+] 104581121 573035731 /nfs/dbraw/zinc/03/57/31/573035731.db2.gz PXPLHUXPLJNNEI-NSHDSACASA-N 2 2 178.279 1.516 10 0 ADAELP CCC[C@H]1[NH2+]CC[C@H]2CCCC[N@H+]12 238248821 573035926 /nfs/dbraw/zinc/03/59/26/573035926.db2.gz BOKZSODTQNDROT-MNOVXSKESA-N 2 2 182.311 1.960 10 0 ADAELP CCC[C@H]1[NH2+]CC[C@H]2CCCC[N@@H+]12 238248821 573035934 /nfs/dbraw/zinc/03/59/34/573035934.db2.gz BOKZSODTQNDROT-MNOVXSKESA-N 2 2 182.311 1.960 10 0 ADAELP C[NH2+]Cc1coc([C@@H]2CCCC[NH2+]2)n1 257926902 573035995 /nfs/dbraw/zinc/03/59/95/573035995.db2.gz DPUWZDUQKGRJLY-VIFPVBQESA-N 2 2 195.266 1.209 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])[C@]12CCc1occc12 257695829 573035999 /nfs/dbraw/zinc/03/59/99/573035999.db2.gz PDOGIMRERIKSTB-WDEREUQCSA-N 2 2 192.262 1.084 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])[C@]12CCc1occc12 257695829 573036005 /nfs/dbraw/zinc/03/60/05/573036005.db2.gz PDOGIMRERIKSTB-WDEREUQCSA-N 2 2 192.262 1.084 10 0 ADAELP CCc1ccc(C)cc1[C@@H]([NH3+])C[NH3+] 104581568 573036113 /nfs/dbraw/zinc/03/61/13/573036113.db2.gz ZRVZKCPIHYZBJA-NSHDSACASA-N 2 2 178.279 1.516 10 0 ADAELP C[C@@H]1C[N@H+](C)CCN1C(=[NH2+])C1CC1 235445373 573036925 /nfs/dbraw/zinc/03/69/25/573036925.db2.gz JYLWPKHNVVWLMJ-MRVPVSSYSA-N 2 2 181.283 1.010 10 0 ADAELP C[C@@H]1C[N@@H+](C)CCN1C(=[NH2+])C1CC1 235445373 573036933 /nfs/dbraw/zinc/03/69/33/573036933.db2.gz JYLWPKHNVVWLMJ-MRVPVSSYSA-N 2 2 181.283 1.010 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1[C@@H]1CC[NH2+]C1 257924963 573037308 /nfs/dbraw/zinc/03/73/08/573037308.db2.gz RZOWZTLKZYRAPC-MRVPVSSYSA-N 2 2 177.251 1.364 10 0 ADAELP C[C@@H]1C[N@H+](C)CCN1C(=[NH2+])C(C)(C)C 235445351 573037655 /nfs/dbraw/zinc/03/76/55/573037655.db2.gz FSZVWQXYRDZYAG-SECBINFHSA-N 2 2 197.326 1.646 10 0 ADAELP C[C@@H]1C[N@@H+](C)CCN1C(=[NH2+])C(C)(C)C 235445351 573037667 /nfs/dbraw/zinc/03/76/67/573037667.db2.gz FSZVWQXYRDZYAG-SECBINFHSA-N 2 2 197.326 1.646 10 0 ADAELP Cc1cc([C@@H]([NH3+])C(C)(C)[NH3+])ccc1F 259317032 573037946 /nfs/dbraw/zinc/03/79/46/573037946.db2.gz KRIQAVXMIAFKPG-SNVBAGLBSA-N 2 2 196.269 1.871 10 0 ADAELP C[NH2+]Cc1coc([C@H]2CCCC[NH2+]2)n1 257926898 573038020 /nfs/dbraw/zinc/03/80/20/573038020.db2.gz DPUWZDUQKGRJLY-SECBINFHSA-N 2 2 195.266 1.209 10 0 ADAELP Cc1cc([C@H]([NH3+])C(C)(C)[NH3+])ccc1F 259317028 573038322 /nfs/dbraw/zinc/03/83/22/573038322.db2.gz KRIQAVXMIAFKPG-JTQLQIEISA-N 2 2 196.269 1.871 10 0 ADAELP [NH3+]CC[NH2+][C@H]1CSc2ccccc21 123489718 573039111 /nfs/dbraw/zinc/03/91/11/573039111.db2.gz YSAUYHMBTPOGCE-VIFPVBQESA-N 2 2 194.303 1.382 10 0 ADAELP CCC[C@@H]([NH3+])[NH+](CC)CC 104585059 573039391 /nfs/dbraw/zinc/03/93/91/573039391.db2.gz NJISMZXTNCCWMK-QMMMGPOBSA-N 2 2 144.262 1.413 10 0 ADAELP [NH3+]CC[NH2+][C@@H]1CSc2ccccc21 123489463 573041515 /nfs/dbraw/zinc/04/15/15/573041515.db2.gz YSAUYHMBTPOGCE-SECBINFHSA-N 2 2 194.303 1.382 10 0 ADAELP CC1=[NH+]CC[NH2+]C(C)(C)C1 104584290 573041576 /nfs/dbraw/zinc/04/15/76/573041576.db2.gz RGJJZLYGQGTTAZ-UHFFFAOYSA-N 2 2 140.230 1.219 10 0 ADAELP CCCc1[nH+]c(C[C@@H](C)[NH3+])[nH]c1C 258473086 573042617 /nfs/dbraw/zinc/04/26/17/573042617.db2.gz AUDHVLMTYICSLT-SSDOTTSWSA-N 2 2 181.283 1.560 10 0 ADAELP CCCc1[nH]c(C[C@@H](C)[NH3+])[nH+]c1C 258473086 573042623 /nfs/dbraw/zinc/04/26/23/573042623.db2.gz AUDHVLMTYICSLT-SSDOTTSWSA-N 2 2 181.283 1.560 10 0 ADAELP Cc1cc[nH+]cc1CCC1([NH3+])CC1 257933341 573043339 /nfs/dbraw/zinc/04/33/39/573043339.db2.gz TWXLMHVLQZXFPO-UHFFFAOYSA-N 2 2 176.263 1.814 10 0 ADAELP C[C@@H]([NH3+])[NH+]1CCCCCC1 113913223 573044344 /nfs/dbraw/zinc/04/43/44/573044344.db2.gz HTWOXDKWJFLWCK-QMMMGPOBSA-N 2 2 142.246 1.167 10 0 ADAELP CCCc1[nH+]c(C[C@H](C)[NH3+])[nH]c1C 258473090 573045582 /nfs/dbraw/zinc/04/55/82/573045582.db2.gz AUDHVLMTYICSLT-ZETCQYMHSA-N 2 2 181.283 1.560 10 0 ADAELP CCCc1[nH]c(C[C@H](C)[NH3+])[nH+]c1C 258473090 573045589 /nfs/dbraw/zinc/04/55/89/573045589.db2.gz AUDHVLMTYICSLT-ZETCQYMHSA-N 2 2 181.283 1.560 10 0 ADAELP C[NH2+]Cc1nc(C[NH+]2CCC2)cs1 308234453 573045787 /nfs/dbraw/zinc/04/57/87/573045787.db2.gz VEQHPDIWGVZLAC-UHFFFAOYSA-N 2 2 197.307 1.068 10 0 ADAELP C[NH2+][C@H](c1ccccc1OC)[C@H](C)[NH3+] 259317992 573046518 /nfs/dbraw/zinc/04/65/18/573046518.db2.gz IQCOTCORHZHFPM-KWQFWETISA-N 2 2 194.278 1.303 10 0 ADAELP C[NH2+][C@H](c1ccccc1OC)[C@@H](C)[NH3+] 259317988 573046535 /nfs/dbraw/zinc/04/65/35/573046535.db2.gz IQCOTCORHZHFPM-KCJUWKMLSA-N 2 2 194.278 1.303 10 0 ADAELP C[NH2+][C@@H](c1ccccc1OC)[C@@H](C)[NH3+] 259317997 573046697 /nfs/dbraw/zinc/04/66/97/573046697.db2.gz IQCOTCORHZHFPM-LDYMZIIASA-N 2 2 194.278 1.303 10 0 ADAELP CC(C)C[N@@H+]1CC2CC(C2)[C@@H]1C[NH3+] 257934679 573046886 /nfs/dbraw/zinc/04/68/86/573046886.db2.gz UDYBFDHDHXERNK-ILDUYXDCSA-N 2 2 182.311 1.312 10 0 ADAELP CC(C)C[N@H+]1CC2CC(C2)[C@@H]1C[NH3+] 257934679 573046893 /nfs/dbraw/zinc/04/68/93/573046893.db2.gz UDYBFDHDHXERNK-ILDUYXDCSA-N 2 2 182.311 1.312 10 0 ADAELP C[NH2+][C@@H](c1ccccc1OC)[C@H](C)[NH3+] 259317984 573046970 /nfs/dbraw/zinc/04/69/70/573046970.db2.gz IQCOTCORHZHFPM-GZMMTYOYSA-N 2 2 194.278 1.303 10 0 ADAELP CCC(C)(C)C(C)([NH3+])[NH3+] 104591827 573047184 /nfs/dbraw/zinc/04/71/84/573047184.db2.gz BPINJMQATUWTID-UHFFFAOYSA-N 2 2 130.235 1.056 10 0 ADAELP Cc1cc(C[NH2+]CC[NH3+])c(C)s1 49686716 573047198 /nfs/dbraw/zinc/04/71/98/573047198.db2.gz KZTPGGJRKDFTHY-UHFFFAOYSA-N 2 2 184.308 1.413 10 0 ADAELP [NH3+]C1CC(c2[nH]c3ccccc3[nH+]2)C1 259663111 573048437 /nfs/dbraw/zinc/04/84/37/573048437.db2.gz ZQSONYPFZHRUHD-UHFFFAOYSA-N 2 2 187.246 1.768 10 0 ADAELP CC(C)C[N@@H+]1CC2CC(C2)[C@H]1C[NH3+] 257934682 573048459 /nfs/dbraw/zinc/04/84/59/573048459.db2.gz UDYBFDHDHXERNK-VQXHTEKXSA-N 2 2 182.311 1.312 10 0 ADAELP CC(C)C[N@H+]1CC2CC(C2)[C@H]1C[NH3+] 257934682 573048463 /nfs/dbraw/zinc/04/84/63/573048463.db2.gz UDYBFDHDHXERNK-VQXHTEKXSA-N 2 2 182.311 1.312 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[NH2+]CC[NH2+]C1CC1 717079544 573050356 /nfs/dbraw/zinc/05/03/56/573050356.db2.gz OMARYQXOHLPRLJ-QTKMDUPCSA-N 2 2 194.322 1.373 10 0 ADAELP CC[C@H]([NH3+])[NH+]1CCCCC1 104595609 573050489 /nfs/dbraw/zinc/05/04/89/573050489.db2.gz GKYNMXFVQFPFRL-MRVPVSSYSA-N 2 2 142.246 1.167 10 0 ADAELP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1[NH2+]CC[NH2+]C1CC1 717079558 573050577 /nfs/dbraw/zinc/05/05/77/573050577.db2.gz OMARYQXOHLPRLJ-SASUGWTJSA-N 2 2 194.322 1.373 10 0 ADAELP CCC[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C 308238569 573050873 /nfs/dbraw/zinc/05/08/73/573050873.db2.gz RSCILXREJBRQTC-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@](C)(C[NH3+])[NH2+]Cc1ocnc1C 308487381 573050917 /nfs/dbraw/zinc/05/09/17/573050917.db2.gz PJVHCNHHQUUPQR-SNVBAGLBSA-N 2 2 197.282 1.200 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[NH2+]CC[NH2+]C1CC1 717079528 573052069 /nfs/dbraw/zinc/05/20/69/573052069.db2.gz OMARYQXOHLPRLJ-NUGNTBJXSA-N 2 2 194.322 1.373 10 0 ADAELP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1[NH2+]CC[NH2+]C1CC1 717079513 573052742 /nfs/dbraw/zinc/05/27/42/573052742.db2.gz OMARYQXOHLPRLJ-KLHWPWHYSA-N 2 2 194.322 1.373 10 0 ADAELP C[C@H]1CCC[N@H+](CC2([NH3+])CCC2)C1 88051639 573053004 /nfs/dbraw/zinc/05/30/04/573053004.db2.gz KNKYBGJFEPYYNO-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP C[C@H]1CCC[N@@H+](CC2([NH3+])CCC2)C1 88051639 573053006 /nfs/dbraw/zinc/05/30/06/573053006.db2.gz KNKYBGJFEPYYNO-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1CC1([NH3+])CCC1 88052288 573053023 /nfs/dbraw/zinc/05/30/23/573053023.db2.gz CLHRNQUYNNFQEE-NSHDSACASA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1CC1([NH3+])CCC1 88052288 573053025 /nfs/dbraw/zinc/05/30/25/573053025.db2.gz CLHRNQUYNNFQEE-NSHDSACASA-N 2 2 196.338 1.988 10 0 ADAELP CCC[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C 308238566 573053044 /nfs/dbraw/zinc/05/30/44/573053044.db2.gz RSCILXREJBRQTC-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C 308238566 573053048 /nfs/dbraw/zinc/05/30/48/573053048.db2.gz RSCILXREJBRQTC-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CCC[N@H+](CC2([NH3+])CCC2)CC1 88052180 573053212 /nfs/dbraw/zinc/05/32/12/573053212.db2.gz UBPALFLDORFNLF-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC2([NH3+])CCC2)CC1 88052180 573053215 /nfs/dbraw/zinc/05/32/15/573053215.db2.gz UBPALFLDORFNLF-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H]1CCCC[N@H+]1CC1([NH3+])CCC1 88051624 573054132 /nfs/dbraw/zinc/05/41/32/573054132.db2.gz WVKBCXHYNUAXJY-SNVBAGLBSA-N 2 2 182.311 1.742 10 0 ADAELP CCC[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C 308238575 573053379 /nfs/dbraw/zinc/05/33/79/573053379.db2.gz RSCILXREJBRQTC-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C 308238575 573053385 /nfs/dbraw/zinc/05/33/85/573053385.db2.gz RSCILXREJBRQTC-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+](CC2([NH3+])CCC2)C1 88052283 573053801 /nfs/dbraw/zinc/05/38/01/573053801.db2.gz UKQPLSJNTCOQGE-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+](CC2([NH3+])CCC2)C1 88052283 573053805 /nfs/dbraw/zinc/05/38/05/573053805.db2.gz UKQPLSJNTCOQGE-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCC[N@H+](CC2([NH3+])CCC2)[C@@H]1C 88052087 573053989 /nfs/dbraw/zinc/05/39/89/573053989.db2.gz TVZKLWMQVORKCB-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCC[N@@H+](CC2([NH3+])CCC2)[C@@H]1C 88052087 573054009 /nfs/dbraw/zinc/05/40/09/573054009.db2.gz TVZKLWMQVORKCB-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP [NH3+]C1(C[NH+]2CCCCCC2)CCC1 88051642 573054028 /nfs/dbraw/zinc/05/40/28/573054028.db2.gz SLXKWGLLALGJNK-UHFFFAOYSA-N 2 2 182.311 1.744 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1CC1([NH3+])CCC1 88051624 573054127 /nfs/dbraw/zinc/05/41/27/573054127.db2.gz WVKBCXHYNUAXJY-SNVBAGLBSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@H]1CC[C@H](C)[N@@H+](CC2([NH3+])CCC2)C1 88052281 573054281 /nfs/dbraw/zinc/05/42/81/573054281.db2.gz UKQPLSJNTCOQGE-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1C[NH+](CC2([NH3+])CCC2)C[C@@H]1C 88052300 573054295 /nfs/dbraw/zinc/05/42/95/573054295.db2.gz KMHVBXSBJOQULJ-UWVGGRQHSA-N 2 2 182.311 1.456 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC2([NH3+])CCC2)C1 88051638 573054379 /nfs/dbraw/zinc/05/43/79/573054379.db2.gz KNKYBGJFEPYYNO-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP CC(C)[C@H]1CCC[N@@H+]1CC1([NH3+])CCC1 88052289 573054835 /nfs/dbraw/zinc/05/48/35/573054835.db2.gz CLHRNQUYNNFQEE-LLVKDONJSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H]([NH3+])[NH+]1CCCCC1 104595607 573054441 /nfs/dbraw/zinc/05/44/41/573054441.db2.gz GKYNMXFVQFPFRL-QMMMGPOBSA-N 2 2 142.246 1.167 10 0 ADAELP CC1(C)CCC[N@@H+]1CC1([NH3+])CCC1 88052158 573054448 /nfs/dbraw/zinc/05/44/48/573054448.db2.gz HYLVPQJOTWLASZ-UHFFFAOYSA-N 2 2 182.311 1.742 10 0 ADAELP CC1(C)CCC[N@H+]1CC1([NH3+])CCC1 88052158 573054453 /nfs/dbraw/zinc/05/44/53/573054453.db2.gz HYLVPQJOTWLASZ-UHFFFAOYSA-N 2 2 182.311 1.742 10 0 ADAELP CC1(C)CC[NH+](CC2([NH3+])CCC2)CC1 88052131 573054523 /nfs/dbraw/zinc/05/45/23/573054523.db2.gz ABVDJFHPGIFLEZ-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP CC[C@@](C)(C[NH3+])C[NH2+]CC(F)F 128513897 573054665 /nfs/dbraw/zinc/05/46/65/573054665.db2.gz MQOKNRXQMVWMDY-QMMMGPOBSA-N 2 2 180.242 1.216 10 0 ADAELP CC[C@@H]1CCC[N@H+](CC2([NH3+])CCC2)C1 88051786 573054674 /nfs/dbraw/zinc/05/46/74/573054674.db2.gz NUILBUKNXWBPLS-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP CC[C@@H]1CCC[N@@H+](CC2([NH3+])CCC2)C1 88051786 573054677 /nfs/dbraw/zinc/05/46/77/573054677.db2.gz NUILBUKNXWBPLS-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP CC(C)[C@H]1CCC[N@H+]1CC1([NH3+])CCC1 88052289 573054839 /nfs/dbraw/zinc/05/48/39/573054839.db2.gz CLHRNQUYNNFQEE-LLVKDONJSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1C[C@H](C)C[NH+](CC2([NH3+])CCC2)C1 88051668 573055317 /nfs/dbraw/zinc/05/53/17/573055317.db2.gz FDZNPHKYGXDQGU-QWRGUYRKSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[N@H+](CC2([NH3+])CCC2)[C@H](C)C1 88052096 573055387 /nfs/dbraw/zinc/05/53/87/573055387.db2.gz MYWCAVBQYQDJQG-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@@H+](CC2([NH3+])CCC2)[C@H](C)C1 88052096 573055391 /nfs/dbraw/zinc/05/53/91/573055391.db2.gz MYWCAVBQYQDJQG-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP CCC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC1 308238991 573055413 /nfs/dbraw/zinc/05/54/13/573055413.db2.gz XGFLXGQZBJXDOL-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC1(C)CC[N@H+](CC2([NH3+])CCC2)C1 88052327 573055559 /nfs/dbraw/zinc/05/55/59/573055559.db2.gz SHQNDMXMVNFUOT-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP CC1(C)CC[N@@H+](CC2([NH3+])CCC2)C1 88052327 573055567 /nfs/dbraw/zinc/05/55/67/573055567.db2.gz SHQNDMXMVNFUOT-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP C[C@@H]1C[NH+](CC2([NH3+])CCC2)C[C@H]1C 88052301 573055758 /nfs/dbraw/zinc/05/57/58/573055758.db2.gz KMHVBXSBJOQULJ-NXEZZACHSA-N 2 2 182.311 1.456 10 0 ADAELP C[C@@H]1C[C@@H](C)C[NH+](CC2([NH3+])CCC2)C1 88051669 573055779 /nfs/dbraw/zinc/05/57/79/573055779.db2.gz FDZNPHKYGXDQGU-GHMZBOCLSA-N 2 2 196.338 1.846 10 0 ADAELP CC[C@H]1CCC[N@@H+]1CC1([NH3+])CCC1 88051817 573055827 /nfs/dbraw/zinc/05/58/27/573055827.db2.gz GNNYVYLXNUNTDI-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP CC[C@H]1CCC[N@H+]1CC1([NH3+])CCC1 88051817 573055830 /nfs/dbraw/zinc/05/58/30/573055830.db2.gz GNNYVYLXNUNTDI-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP CC[N@@H+]1CCC=C(C[NH+](C)C)C1 257937739 573056117 /nfs/dbraw/zinc/05/61/17/573056117.db2.gz DGNVLZIORDDEGX-UHFFFAOYSA-N 2 2 168.284 1.200 10 0 ADAELP CC[N@H+]1CCC=C(C[NH+](C)C)C1 257937739 573056124 /nfs/dbraw/zinc/05/61/24/573056124.db2.gz DGNVLZIORDDEGX-UHFFFAOYSA-N 2 2 168.284 1.200 10 0 ADAELP CC[C@](C)(C[NH3+])C[NH2+]CC(F)F 128514139 573056217 /nfs/dbraw/zinc/05/62/17/573056217.db2.gz MQOKNRXQMVWMDY-MRVPVSSYSA-N 2 2 180.242 1.216 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1CC1([NH3+])CCC1 88051816 573056279 /nfs/dbraw/zinc/05/62/79/573056279.db2.gz GNNYVYLXNUNTDI-SNVBAGLBSA-N 2 2 182.311 1.742 10 0 ADAELP CC[C@@H]1CCC[N@H+]1CC1([NH3+])CCC1 88051816 573056284 /nfs/dbraw/zinc/05/62/84/573056284.db2.gz GNNYVYLXNUNTDI-SNVBAGLBSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@H]1CCC[N@H+](CC2([NH3+])CCC2)CC1 88052181 573056322 /nfs/dbraw/zinc/05/63/22/573056322.db2.gz UBPALFLDORFNLF-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP C[C@H]1CCC[N@@H+](CC2([NH3+])CCC2)CC1 88052181 573056325 /nfs/dbraw/zinc/05/63/25/573056325.db2.gz UBPALFLDORFNLF-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP CC[C@H]([NH3+])n1cc[nH+]c1C 104598650 573056412 /nfs/dbraw/zinc/05/64/12/573056412.db2.gz HQZHOPHDFHIYLM-SSDOTTSWSA-N 2 2 139.202 1.059 10 0 ADAELP C[C@@H]1CCC[N@H+](CC2([NH3+])CCC2)[C@@H]1C 88052086 573056724 /nfs/dbraw/zinc/05/67/24/573056724.db2.gz TVZKLWMQVORKCB-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC2([NH3+])CCC2)[C@@H]1C 88052086 573056728 /nfs/dbraw/zinc/05/67/28/573056728.db2.gz TVZKLWMQVORKCB-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@H+](CC1([NH3+])CCC1)C1CCCC1 88051712 573057130 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XGFLXGQZBJXDOL-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[NH2+][C@@]1(C)C[NH+]2CCC1CC2 238263562 573059234 /nfs/dbraw/zinc/05/92/34/573059234.db2.gz JSFFKPDVEQBACG-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP CCC(=[NH2+])N1CC[N@H+](C)C(C)(C)C1 82477399 573059497 /nfs/dbraw/zinc/05/94/97/573059497.db2.gz ZWJABNXVHHQZDQ-UHFFFAOYSA-N 2 2 183.299 1.400 10 0 ADAELP CCC(=[NH2+])N1CC[N@@H+](C)C(C)(C)C1 82477399 573059504 /nfs/dbraw/zinc/05/95/04/573059504.db2.gz ZWJABNXVHHQZDQ-UHFFFAOYSA-N 2 2 183.299 1.400 10 0 ADAELP CCCC(=[NH2+])N1CC[N@H+](C)[C@H](C)C1 82477375 573059658 /nfs/dbraw/zinc/05/96/58/573059658.db2.gz DJFHNGAKXYHIFM-SECBINFHSA-N 2 2 183.299 1.400 10 0 ADAELP CCCC(=[NH2+])N1CC[N@@H+](C)[C@H](C)C1 82477375 573059664 /nfs/dbraw/zinc/05/96/64/573059664.db2.gz DJFHNGAKXYHIFM-SECBINFHSA-N 2 2 183.299 1.400 10 0 ADAELP CC(C)C(=[NH2+])N1CC[N@H+](C)[C@@H](C)C1 82477377 573059793 /nfs/dbraw/zinc/05/97/93/573059793.db2.gz OADRYLAXOWTQHJ-VIFPVBQESA-N 2 2 183.299 1.256 10 0 ADAELP 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573060425 /nfs/dbraw/zinc/06/04/25/573060425.db2.gz KRPVXQRGVFBRRZ-JTQLQIEISA-N 2 2 197.326 1.646 10 0 ADAELP CC[N@H+]1CCN(C(=[NH2+])C(C)C)C[C@@H]1C 82478695 573060430 /nfs/dbraw/zinc/06/04/30/573060430.db2.gz KRPVXQRGVFBRRZ-JTQLQIEISA-N 2 2 197.326 1.646 10 0 ADAELP CC[N@@H+]1CCN(C(C)=[NH2+])C[C@@H]1C 82477388 573060467 /nfs/dbraw/zinc/06/04/67/573060467.db2.gz AAYWVZYVSVYUHK-QMMMGPOBSA-N 2 2 169.272 1.010 10 0 ADAELP CC[N@H+]1CCN(C(C)=[NH2+])C[C@@H]1C 82477388 573060472 /nfs/dbraw/zinc/06/04/72/573060472.db2.gz AAYWVZYVSVYUHK-QMMMGPOBSA-N 2 2 169.272 1.010 10 0 ADAELP CCC(=[NH2+])N1CC[N@H+](C)[C@H](CC)C1 82478708 573060483 /nfs/dbraw/zinc/06/04/83/573060483.db2.gz LYKQMILTDVVSFJ-SECBINFHSA-N 2 2 183.299 1.400 10 0 ADAELP CCC(=[NH2+])N1CC[N@@H+](C)[C@H](CC)C1 82478708 573060490 /nfs/dbraw/zinc/06/04/90/573060490.db2.gz LYKQMILTDVVSFJ-SECBINFHSA-N 2 2 183.299 1.400 10 0 ADAELP CC[NH2+]Cc1ccc2[nH+]c(C)cn2c1 238274555 573060807 /nfs/dbraw/zinc/06/08/07/573060807.db2.gz CFRWRCKQRKQGSS-UHFFFAOYSA-N 2 2 189.262 1.752 10 0 ADAELP CC[C@H]1CN(C(C)=[NH2+])CC[N@@H+]1C 82478705 573060813 /nfs/dbraw/zinc/06/08/13/573060813.db2.gz OHEXXMZOLNRHJP-VIFPVBQESA-N 2 2 169.272 1.010 10 0 ADAELP CC[C@H]1CN(C(C)=[NH2+])CC[N@H+]1C 82478705 573060820 /nfs/dbraw/zinc/06/08/20/573060820.db2.gz OHEXXMZOLNRHJP-VIFPVBQESA-N 2 2 169.272 1.010 10 0 ADAELP CC[C@H]1CN(C(=[NH2+])C2CC2)CC[N@@H+]1C 82477393 573061256 /nfs/dbraw/zinc/06/12/56/573061256.db2.gz YQOGSYKAEKDALD-JTQLQIEISA-N 2 2 195.310 1.400 10 0 ADAELP CC[C@H]1CN(C(=[NH2+])C2CC2)CC[N@H+]1C 82477393 573061262 /nfs/dbraw/zinc/06/12/62/573061262.db2.gz YQOGSYKAEKDALD-JTQLQIEISA-N 2 2 195.310 1.400 10 0 ADAELP CC[C@H]1CN(C(=[NH2+])C(C)C)CC[N@@H+]1C 82477391 573061768 /nfs/dbraw/zinc/06/17/68/573061768.db2.gz SRKHTNGARNPZBR-JTQLQIEISA-N 2 2 197.326 1.646 10 0 ADAELP CC[C@H]1CN(C(=[NH2+])C(C)C)CC[N@H+]1C 82477391 573061775 /nfs/dbraw/zinc/06/17/75/573061775.db2.gz SRKHTNGARNPZBR-JTQLQIEISA-N 2 2 197.326 1.646 10 0 ADAELP CC[N@H+]1CCN(C(=[NH2+])C2CC2)C[C@@H]1C 82478697 573062210 /nfs/dbraw/zinc/06/22/10/573062210.db2.gz GVFQMAUOSDYCJN-VIFPVBQESA-N 2 2 195.310 1.400 10 0 ADAELP CC[N@@H+]1CCN(C(=[NH2+])C2CC2)C[C@@H]1C 82478697 573062204 /nfs/dbraw/zinc/06/22/04/573062204.db2.gz GVFQMAUOSDYCJN-VIFPVBQESA-N 2 2 195.310 1.400 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308242668 573062144 /nfs/dbraw/zinc/06/21/44/573062144.db2.gz ZMKRPHTVDXJTLR-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308242668 573062150 /nfs/dbraw/zinc/06/21/50/573062150.db2.gz ZMKRPHTVDXJTLR-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP c1cc(O[C@H]2CCC[NH2+]CC2)cc[nH+]1 259692499 573062385 /nfs/dbraw/zinc/06/23/85/573062385.db2.gz VOEJGGJWVLSBHS-JTQLQIEISA-N 2 2 192.262 1.603 10 0 ADAELP Cc1cccc([C@H]([NH3+])C2([NH3+])CC2)c1 259320961 573062613 /nfs/dbraw/zinc/06/26/13/573062613.db2.gz ISVPOCOKEJEXPZ-JTQLQIEISA-N 2 2 176.263 1.486 10 0 ADAELP C[C@H]1CN(C(=[NH2+])C(C)(C)C)CC[N@@H+]1C 82477381 573063918 /nfs/dbraw/zinc/06/39/18/573063918.db2.gz JRXZFPJDBNMHND-VIFPVBQESA-N 2 2 197.326 1.646 10 0 ADAELP C[C@H]1CN(C(=[NH2+])C(C)(C)C)CC[N@H+]1C 82477381 573063923 /nfs/dbraw/zinc/06/39/23/573063923.db2.gz JRXZFPJDBNMHND-VIFPVBQESA-N 2 2 197.326 1.646 10 0 ADAELP CC[C@@H]1CN(C(C)=[NH2+])CC[N@@H+]1C 82478703 573064075 /nfs/dbraw/zinc/06/40/75/573064075.db2.gz OHEXXMZOLNRHJP-SECBINFHSA-N 2 2 169.272 1.010 10 0 ADAELP CC[C@@H]1CN(C(C)=[NH2+])CC[N@H+]1C 82478703 573064078 /nfs/dbraw/zinc/06/40/78/573064078.db2.gz OHEXXMZOLNRHJP-SECBINFHSA-N 2 2 169.272 1.010 10 0 ADAELP CCC(=[NH2+])N1CC[N@H+](C)[C@H](C)C1 82477374 573064092 /nfs/dbraw/zinc/06/40/92/573064092.db2.gz IIRODWQHDZWCFJ-MRVPVSSYSA-N 2 2 169.272 1.010 10 0 ADAELP CCC(=[NH2+])N1CC[N@@H+](C)[C@H](C)C1 82477374 573064098 /nfs/dbraw/zinc/06/40/98/573064098.db2.gz IIRODWQHDZWCFJ-MRVPVSSYSA-N 2 2 169.272 1.010 10 0 ADAELP CC[NH2+]Cc1cccc2[nH+]cc(C)n12 238265053 573064208 /nfs/dbraw/zinc/06/42/08/573064208.db2.gz 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ADAELP C[C@@H]1CN(C(=[NH2+])C2CC2)CC[N@@H+]1C 82477378 573065072 /nfs/dbraw/zinc/06/50/72/573065072.db2.gz CDTCTFYXPHBKFL-MRVPVSSYSA-N 2 2 181.283 1.010 10 0 ADAELP C[C@@H]1CN(C(=[NH2+])C2CC2)CC[N@H+]1C 82477378 573065077 /nfs/dbraw/zinc/06/50/77/573065077.db2.gz CDTCTFYXPHBKFL-MRVPVSSYSA-N 2 2 181.283 1.010 10 0 ADAELP CCC(=[NH2+])N1CC[N@H+](C)[C@@H](CC)C1 82478710 573065117 /nfs/dbraw/zinc/06/51/17/573065117.db2.gz LYKQMILTDVVSFJ-VIFPVBQESA-N 2 2 183.299 1.400 10 0 ADAELP CCC(=[NH2+])N1CC[N@@H+](C)[C@@H](CC)C1 82478710 573065121 /nfs/dbraw/zinc/06/51/21/573065121.db2.gz LYKQMILTDVVSFJ-VIFPVBQESA-N 2 2 183.299 1.400 10 0 ADAELP CCCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C 308246886 573066063 /nfs/dbraw/zinc/06/60/63/573066063.db2.gz WSWWBQXBKJPWSQ-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C 308246886 573066070 /nfs/dbraw/zinc/06/60/70/573066070.db2.gz WSWWBQXBKJPWSQ-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CCCC(=[NH2+])N1CC[N@H+](CC)[C@H](C)C1 82478693 573066213 /nfs/dbraw/zinc/06/62/13/573066213.db2.gz AUPYRXAPRQJLHC-SNVBAGLBSA-N 2 2 197.326 1.790 10 0 ADAELP CCCC(=[NH2+])N1CC[N@@H+](CC)[C@H](C)C1 82478693 573066218 /nfs/dbraw/zinc/06/62/18/573066218.db2.gz AUPYRXAPRQJLHC-SNVBAGLBSA-N 2 2 197.326 1.790 10 0 ADAELP C[C@@H]1CN(C(=[NH2+])C(C)(C)C)CC[N@@H+]1C 82477380 573066284 /nfs/dbraw/zinc/06/62/84/573066284.db2.gz JRXZFPJDBNMHND-SECBINFHSA-N 2 2 197.326 1.646 10 0 ADAELP C[C@@H]1CN(C(=[NH2+])C(C)(C)C)CC[N@H+]1C 82477380 573066290 /nfs/dbraw/zinc/06/62/90/573066290.db2.gz JRXZFPJDBNMHND-SECBINFHSA-N 2 2 197.326 1.646 10 0 ADAELP CC[NH2+][C@@]1(C[NH3+])CCc2ccccc21 238265154 573066441 /nfs/dbraw/zinc/06/64/41/573066441.db2.gz YVHDJLUPKVIIQU-GFCCVEGCSA-N 2 2 190.290 1.396 10 0 ADAELP CC(=[NH2+])N1CC[N@@H+](C)C(C)(C)C1 82477398 573066527 /nfs/dbraw/zinc/06/65/27/573066527.db2.gz HWOFBMYTAHRZHH-UHFFFAOYSA-N 2 2 169.272 1.010 10 0 ADAELP CC(=[NH2+])N1CC[N@H+](C)C(C)(C)C1 82477398 573066534 /nfs/dbraw/zinc/06/65/34/573066534.db2.gz HWOFBMYTAHRZHH-UHFFFAOYSA-N 2 2 169.272 1.010 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1C[C@H]2CC[C@@H]1C2 49716589 573066548 /nfs/dbraw/zinc/06/65/48/573066548.db2.gz DCCQEIKNKARPHS-WDEREUQCSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1C[C@H]2CC[C@@H]1C2 49716589 573066553 /nfs/dbraw/zinc/06/65/53/573066553.db2.gz DCCQEIKNKARPHS-WDEREUQCSA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+]CCNc1ccc2ccc[nH+]c2c1 88100297 573066901 /nfs/dbraw/zinc/06/69/01/573066901.db2.gz WABONGDALBHXKD-UHFFFAOYSA-N 2 2 187.246 1.605 10 0 ADAELP CCCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C 308246885 573066908 /nfs/dbraw/zinc/06/69/08/573066908.db2.gz WSWWBQXBKJPWSQ-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C 308246885 573066911 /nfs/dbraw/zinc/06/69/11/573066911.db2.gz WSWWBQXBKJPWSQ-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1[nH+]ccn1-c1cc[nH+]cc1CO 88110364 573067061 /nfs/dbraw/zinc/06/70/61/573067061.db2.gz CXOXMDQQFQDKSN-UHFFFAOYSA-N 2 2 189.218 1.068 10 0 ADAELP C[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]2)CC1 82489413 573068308 /nfs/dbraw/zinc/06/83/08/573068308.db2.gz ULJULWWMJCORMR-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]2)CC1 82489413 573068316 /nfs/dbraw/zinc/06/83/16/573068316.db2.gz ULJULWWMJCORMR-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1ccn(-c2cc[nH+]cc2C[NH3+])n1 88115522 573068495 /nfs/dbraw/zinc/06/84/95/573068495.db2.gz PEBAGNATHFYOQS-UHFFFAOYSA-N 2 2 188.234 1.034 10 0 ADAELP C[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]2)CC1 82489412 573068545 /nfs/dbraw/zinc/06/85/45/573068545.db2.gz ULJULWWMJCORMR-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]2)CC1 82489412 573068549 /nfs/dbraw/zinc/06/85/49/573068549.db2.gz ULJULWWMJCORMR-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)CC1 82489054 573068965 /nfs/dbraw/zinc/06/89/65/573068965.db2.gz WBDLSRXPQFCEQP-QWRGUYRKSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCC[C@H](C)CC1 82489054 573068973 /nfs/dbraw/zinc/06/89/73/573068973.db2.gz WBDLSRXPQFCEQP-QWRGUYRKSA-N 2 2 184.327 1.846 10 0 ADAELP C[C@@H]1CCCN1c1cc[nH+]cc1C[NH3+] 88114611 573069003 /nfs/dbraw/zinc/06/90/03/573069003.db2.gz AEYAREYJUMFSJE-SECBINFHSA-N 2 2 191.278 1.529 10 0 ADAELP Cc1cnn(-c2cc[nH+]cc2C[NH3+])c1 88115479 573069748 /nfs/dbraw/zinc/06/97/48/573069748.db2.gz HZCBPXFCTHAONP-UHFFFAOYSA-N 2 2 188.234 1.034 10 0 ADAELP C[C@@H]1CCC[N@H+](CC(N)=[NH2+])CC1 82489511 573069982 /nfs/dbraw/zinc/06/99/82/573069982.db2.gz WGSCCWYIJVCHRO-MRVPVSSYSA-N 2 2 169.272 1.044 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC(N)=[NH2+])CC1 82489511 573069987 /nfs/dbraw/zinc/06/99/87/573069987.db2.gz WGSCCWYIJVCHRO-MRVPVSSYSA-N 2 2 169.272 1.044 10 0 ADAELP [NH3+]Cc1c[nH+]ccc1N1CCCCC1 88114769 573070055 /nfs/dbraw/zinc/07/00/55/573070055.db2.gz OWSQYHFGOOVBEI-UHFFFAOYSA-N 2 2 191.278 1.531 10 0 ADAELP C[C@H]1CCN(c2cc[nH+]cc2C[NH3+])C1 88115129 573070423 /nfs/dbraw/zinc/07/04/23/573070423.db2.gz WSYROBHYHACEOD-VIFPVBQESA-N 2 2 191.278 1.387 10 0 ADAELP C[C@H]1CCCN1c1cc[nH+]cc1C[NH3+] 88114613 573071016 /nfs/dbraw/zinc/07/10/16/573071016.db2.gz AEYAREYJUMFSJE-VIFPVBQESA-N 2 2 191.278 1.529 10 0 ADAELP Cc1c[nH+]ccc1CC1CC[NH2+]CC1 259322028 573071158 /nfs/dbraw/zinc/07/11/58/573071158.db2.gz OGTQANQQVZREST-UHFFFAOYSA-N 2 2 190.290 1.932 10 0 ADAELP CN(c1cc[nH+]cc1C[NH3+])C1CC1 88114886 573071486 /nfs/dbraw/zinc/07/14/86/573071486.db2.gz ZEENHYJRJRDJMH-UHFFFAOYSA-N 2 2 177.251 1.139 10 0 ADAELP CC(C)N(C)c1cc[nH+]cc1C[NH3+] 88114758 573071536 /nfs/dbraw/zinc/07/15/36/573071536.db2.gz CPNURPBUZPSNGU-UHFFFAOYSA-N 2 2 179.267 1.385 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)CC1 82489217 573071665 /nfs/dbraw/zinc/07/16/65/573071665.db2.gz SURNCFSDJSRYKF-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@@H](C)CC1 82489217 573071672 /nfs/dbraw/zinc/07/16/72/573071672.db2.gz SURNCFSDJSRYKF-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([NH3+])COCc1[nH]cc[nH+]1 308254202 573071728 /nfs/dbraw/zinc/07/17/28/573071728.db2.gz HYTABMUAWFUJMM-VIFPVBQESA-N 2 2 183.255 1.054 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])CC1 82489044 573072924 /nfs/dbraw/zinc/07/29/24/573072924.db2.gz UXVVNRSHHGGQFW-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)CC1 82489124 573073574 /nfs/dbraw/zinc/07/35/74/573073574.db2.gz NFIUBDMTFNEIOI-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)CC1 82489124 573073576 /nfs/dbraw/zinc/07/35/76/573073576.db2.gz NFIUBDMTFNEIOI-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])CC1 82489044 573072927 /nfs/dbraw/zinc/07/29/27/573072927.db2.gz UXVVNRSHHGGQFW-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H]([NH3+])c1c(C)cc(C)[nH+]c1N 238267567 573073449 /nfs/dbraw/zinc/07/34/49/573073449.db2.gz XDMGVUKITGRRDD-MRVPVSSYSA-N 2 2 179.267 1.690 10 0 ADAELP CC[C@@](C)([NH3+])COCc1[nH]cc[nH+]1 308254200 573073770 /nfs/dbraw/zinc/07/37/70/573073770.db2.gz HYTABMUAWFUJMM-SECBINFHSA-N 2 2 183.255 1.054 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)CC1 82489122 573074358 /nfs/dbraw/zinc/07/43/58/573074358.db2.gz NFIUBDMTFNEIOI-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)CC1 82489122 573074365 /nfs/dbraw/zinc/07/43/65/573074365.db2.gz NFIUBDMTFNEIOI-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)CC1CC1 49729810 573074536 /nfs/dbraw/zinc/07/45/36/573074536.db2.gz KNWMSGVHCSRDIQ-SECBINFHSA-N 2 2 179.267 1.340 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)CC1 82489420 573074749 /nfs/dbraw/zinc/07/47/49/573074749.db2.gz JRCDGGOXFYAJDF-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)CC1 82489420 573074758 /nfs/dbraw/zinc/07/47/58/573074758.db2.gz JRCDGGOXFYAJDF-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)CC1CC1 49730080 573075439 /nfs/dbraw/zinc/07/54/39/573075439.db2.gz GQGNUMAHNLZOOW-JTQLQIEISA-N 2 2 193.294 1.730 10 0 ADAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)CC1CC1 49730078 573075676 /nfs/dbraw/zinc/07/56/76/573075676.db2.gz GQGNUMAHNLZOOW-SNVBAGLBSA-N 2 2 193.294 1.730 10 0 ADAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)CC1CC1 49729811 573075696 /nfs/dbraw/zinc/07/56/96/573075696.db2.gz KNWMSGVHCSRDIQ-VIFPVBQESA-N 2 2 179.267 1.340 10 0 ADAELP CCC1(CC)[NH2+]CCC[NH2+]1 104614463 573075879 /nfs/dbraw/zinc/07/58/79/573075879.db2.gz XLTAVERHXPKANU-UHFFFAOYSA-N 2 2 142.246 1.086 10 0 ADAELP CC[N@H+](C)Cc1csc([C@@H](C)[NH3+])n1 85549567 573076332 /nfs/dbraw/zinc/07/63/32/573076332.db2.gz JTPTXESQPJITPA-SSDOTTSWSA-N 2 2 199.323 1.615 10 0 ADAELP CC[N@@H+](C)Cc1csc([C@@H](C)[NH3+])n1 85549567 573076337 /nfs/dbraw/zinc/07/63/37/573076337.db2.gz JTPTXESQPJITPA-SSDOTTSWSA-N 2 2 199.323 1.615 10 0 ADAELP C/C=C/C[N@H+](C)[C@@H]1CCC[NH2+]C1 82499809 573077071 /nfs/dbraw/zinc/07/70/71/573077071.db2.gz KBKCXHUPNSKVDM-HMDXOVGESA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C/C[N@@H+](C)[C@@H]1CCC[NH2+]C1 82499809 573077074 /nfs/dbraw/zinc/07/70/74/573077074.db2.gz KBKCXHUPNSKVDM-HMDXOVGESA-N 2 2 168.284 1.246 10 0 ADAELP C[NH+](C)CC1([NH2+]CCC2CC2)CCC1 308491289 573077418 /nfs/dbraw/zinc/07/74/18/573077418.db2.gz BQZUTOZEXLCXAP-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CC[C@H](Cc2[nH+]ccn2C)[NH2+]C1 88136965 573077660 /nfs/dbraw/zinc/07/76/60/573077660.db2.gz KIEBYWVYNZEYAI-VHSXEESVSA-N 2 2 193.294 1.351 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)CC1 82490416 573078500 /nfs/dbraw/zinc/07/85/00/573078500.db2.gz GYRZQDHWVDKAFX-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP C/C=C/C[N@H+](C)[C@H]1CCC[NH2+]C1 82499811 573078114 /nfs/dbraw/zinc/07/81/14/573078114.db2.gz KBKCXHUPNSKVDM-FSIBCCDJSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C/C[N@@H+](C)[C@H]1CCC[NH2+]C1 82499811 573078120 /nfs/dbraw/zinc/07/81/20/573078120.db2.gz KBKCXHUPNSKVDM-FSIBCCDJSA-N 2 2 168.284 1.246 10 0 ADAELP C[C@H]1CC[C@@H](Cc2[nH+]ccn2C)[NH2+]C1 88136970 573078400 /nfs/dbraw/zinc/07/84/00/573078400.db2.gz KIEBYWVYNZEYAI-UWVGGRQHSA-N 2 2 193.294 1.351 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)CC1 82490416 573078495 /nfs/dbraw/zinc/07/84/95/573078495.db2.gz GYRZQDHWVDKAFX-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 82490413 573078573 /nfs/dbraw/zinc/07/85/73/573078573.db2.gz GYRZQDHWVDKAFX-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)CC1 82490413 573078579 /nfs/dbraw/zinc/07/85/79/573078579.db2.gz GYRZQDHWVDKAFX-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)=CC[N@@H+](C)[C@H]1CCC[NH2+]C1 82499616 573078693 /nfs/dbraw/zinc/07/86/93/573078693.db2.gz NRMOQSCGJIQDPT-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP CC(C)=CC[N@H+](C)[C@H]1CCC[NH2+]C1 82499616 573078702 /nfs/dbraw/zinc/07/87/02/573078702.db2.gz NRMOQSCGJIQDPT-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C(C)(C)C2CC2)C1 235699060 573079498 /nfs/dbraw/zinc/07/94/98/573079498.db2.gz HBBFKNHVGJIMFI-JTQLQIEISA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](C(C)(C)C2CC2)C1 235699060 573079503 /nfs/dbraw/zinc/07/95/03/573079503.db2.gz HBBFKNHVGJIMFI-JTQLQIEISA-N 2 2 196.338 1.716 10 0 ADAELP C/C=C\C[N@H+](C[C@@H]1CCC[NH2+]1)C1CC1 308492120 573079657 /nfs/dbraw/zinc/07/96/57/573079657.db2.gz RKJSXXGNTFGCPX-QUCGXOGASA-N 2 2 194.322 1.779 10 0 ADAELP C/C=C\C[N@@H+](C[C@@H]1CCC[NH2+]1)C1CC1 308492120 573079663 /nfs/dbraw/zinc/07/96/63/573079663.db2.gz RKJSXXGNTFGCPX-QUCGXOGASA-N 2 2 194.322 1.779 10 0 ADAELP [NH3+]CC[NH+]1CCC(n2cccc2)CC1 82491445 573079784 /nfs/dbraw/zinc/07/97/84/573079784.db2.gz CASNODXZORIKQI-UHFFFAOYSA-N 2 2 193.294 1.084 10 0 ADAELP CC(C)=CC[N@@H+](C)[C@@H]1CCC[NH2+]C1 82499614 573079822 /nfs/dbraw/zinc/07/98/22/573079822.db2.gz NRMOQSCGJIQDPT-LLVKDONJSA-N 2 2 182.311 1.636 10 0 ADAELP CC(C)=CC[N@H+](C)[C@@H]1CCC[NH2+]C1 82499614 573079829 /nfs/dbraw/zinc/07/98/29/573079829.db2.gz NRMOQSCGJIQDPT-LLVKDONJSA-N 2 2 182.311 1.636 10 0 ADAELP c1cc(C[NH2+]CCc2c[nH]c[nH+]2)c[nH]1 85580112 573080141 /nfs/dbraw/zinc/08/01/41/573080141.db2.gz CQOCHSZRVMMINE-UHFFFAOYSA-N 2 2 190.250 1.070 10 0 ADAELP c1cc(C[NH2+]CCc2c[nH+]c[nH]2)c[nH]1 85580112 573080149 /nfs/dbraw/zinc/08/01/49/573080149.db2.gz CQOCHSZRVMMINE-UHFFFAOYSA-N 2 2 190.250 1.070 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 85579493 573080178 /nfs/dbraw/zinc/08/01/78/573080178.db2.gz HYYNORUHMQETHM-LLVKDONJSA-N 2 2 193.294 1.199 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 85579493 573080186 /nfs/dbraw/zinc/08/01/86/573080186.db2.gz HYYNORUHMQETHM-LLVKDONJSA-N 2 2 193.294 1.199 10 0 ADAELP C1=CC[NH+](C[C@H]2CCCC[NH2+]2)C1 114457042 573080221 /nfs/dbraw/zinc/08/02/21/573080221.db2.gz WBANQUMKGGWGBX-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP CC[C@H]([NH2+][C@H]1C[C@@H]1C1CC1)C(=[NH2+])NO 717105966 573080351 /nfs/dbraw/zinc/08/03/51/573080351.db2.gz RIMWRZWSEJMLHS-VGMNWLOBSA-N 2 2 197.282 1.109 10 0 ADAELP C1=CC[NH+]([C@H]2CCCC[NH2+]C2)C1 114457164 573080448 /nfs/dbraw/zinc/08/04/48/573080448.db2.gz GRDCACLTSNPRBG-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP C[C@@H]1CC[C@H](Cc2[nH+]ccn2C)[NH2+]C1 88136963 573081562 /nfs/dbraw/zinc/08/15/62/573081562.db2.gz KIEBYWVYNZEYAI-NXEZZACHSA-N 2 2 193.294 1.351 10 0 ADAELP C1=CC[NH+]([C@@H]2CCCC[NH2+]C2)C1 114457162 573081580 /nfs/dbraw/zinc/08/15/80/573081580.db2.gz GRDCACLTSNPRBG-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP CC[C@H]([NH3+])c1ccn2cc[nH+]c2c1 238271353 573082202 /nfs/dbraw/zinc/08/22/02/573082202.db2.gz MHMZHFREOMNVDY-VIFPVBQESA-N 2 2 175.235 1.744 10 0 ADAELP CC[C@@]1(C)[NH2+]CCC[N@@H+]1C(C)C 238271776 573083671 /nfs/dbraw/zinc/08/36/71/573083671.db2.gz DEZFNHUAZWOJMU-JTQLQIEISA-N 2 2 170.300 1.816 10 0 ADAELP CC[C@@]1(C)[NH2+][C@H](C)CC(C)(C)[NH2+]1 238272046 573082431 /nfs/dbraw/zinc/08/24/31/573082431.db2.gz BSIOZQFDOHBIAR-SCZZXKLOSA-N 2 2 170.300 1.863 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 85579490 573082591 /nfs/dbraw/zinc/08/25/91/573082591.db2.gz HYYNORUHMQETHM-NSHDSACASA-N 2 2 193.294 1.199 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 85579490 573082597 /nfs/dbraw/zinc/08/25/97/573082597.db2.gz HYYNORUHMQETHM-NSHDSACASA-N 2 2 193.294 1.199 10 0 ADAELP CC[C@@]1(C)[NH2+][C@@H](C)CC(C)(C)[NH2+]1 238272003 573082603 /nfs/dbraw/zinc/08/26/03/573082603.db2.gz BSIOZQFDOHBIAR-WPRPVWTQSA-N 2 2 170.300 1.863 10 0 ADAELP CC[C@@]1(C)[NH2+]CCC[N@H+]1C(C)C 238271776 573083675 /nfs/dbraw/zinc/08/36/75/573083675.db2.gz DEZFNHUAZWOJMU-JTQLQIEISA-N 2 2 170.300 1.816 10 0 ADAELP CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)C(=[NH2+])NO 717105968 573083447 /nfs/dbraw/zinc/08/34/47/573083447.db2.gz RIMWRZWSEJMLHS-XHNCKOQMSA-N 2 2 197.282 1.109 10 0 ADAELP [NH3+][C@H](C[NH+]1CC=CC1)c1ccccc1 114457082 573083523 /nfs/dbraw/zinc/08/35/23/573083523.db2.gz WXJBWXFGYCPRRS-GFCCVEGCSA-N 2 2 188.274 1.558 10 0 ADAELP CC[C@H]([NH3+])c1c[nH+]cc2c1NCCO2 238271485 573084473 /nfs/dbraw/zinc/08/44/73/573084473.db2.gz LFXDCXTXEZHYGD-QMMMGPOBSA-N 2 2 193.250 1.296 10 0 ADAELP C/C=C\CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 308252389 573084789 /nfs/dbraw/zinc/08/47/89/573084789.db2.gz BWPYWTSRQOXBRF-NRFYAWERSA-N 2 2 182.311 1.492 10 0 ADAELP C/C=C\CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 308252389 573084801 /nfs/dbraw/zinc/08/48/01/573084801.db2.gz BWPYWTSRQOXBRF-NRFYAWERSA-N 2 2 182.311 1.492 10 0 ADAELP [NH3+][C@@H](C[NH+]1CC=CC1)c1ccccc1 114457083 573084856 /nfs/dbraw/zinc/08/48/56/573084856.db2.gz WXJBWXFGYCPRRS-LBPRGKRZSA-N 2 2 188.274 1.558 10 0 ADAELP C/C=C/CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 308252388 573086221 /nfs/dbraw/zinc/08/62/21/573086221.db2.gz BWPYWTSRQOXBRF-BXXZLRJFSA-N 2 2 182.311 1.492 10 0 ADAELP C[C@H](CC[NH3+])[N@H+](C)Cc1cscn1 49776579 573086088 /nfs/dbraw/zinc/08/60/88/573086088.db2.gz TUPJXTWDDYXTGY-MRVPVSSYSA-N 2 2 199.323 1.312 10 0 ADAELP C[C@H](CC[NH3+])[N@@H+](C)Cc1cscn1 49776579 573086103 /nfs/dbraw/zinc/08/61/03/573086103.db2.gz TUPJXTWDDYXTGY-MRVPVSSYSA-N 2 2 199.323 1.312 10 0 ADAELP C/C=C/CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 308252388 573086217 /nfs/dbraw/zinc/08/62/17/573086217.db2.gz BWPYWTSRQOXBRF-BXXZLRJFSA-N 2 2 182.311 1.492 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(OC)c(C)c1 259325332 573086338 /nfs/dbraw/zinc/08/63/38/573086338.db2.gz LBSKTWMIGSCIOI-JTQLQIEISA-N 2 2 194.278 1.223 10 0 ADAELP CC[C@@H]([NH3+])[NH+](C(C)C)C(C)C 143942873 573089122 /nfs/dbraw/zinc/08/91/22/573089122.db2.gz RHWKTXUQAMENNV-VIFPVBQESA-N 2 2 158.289 1.800 10 0 ADAELP CCC[C@H]([NH3+])CC[NH2+]CC(F)F 128674015 573089334 /nfs/dbraw/zinc/08/93/34/573089334.db2.gz QEZIHYUYJYGBCN-ZETCQYMHSA-N 2 2 180.242 1.359 10 0 ADAELP CC[C@@H]([NH3+])c1cc(N(C)C)cc[nH+]1 238275185 573089425 /nfs/dbraw/zinc/08/94/25/573089425.db2.gz AOJFGKKONCXZNY-SECBINFHSA-N 2 2 179.267 1.557 10 0 ADAELP CC[NH2+]Cc1ccn2c(C)c[nH+]c2c1 238275541 573089603 /nfs/dbraw/zinc/08/96/03/573089603.db2.gz MLEWQORFJGZNOO-UHFFFAOYSA-N 2 2 189.262 1.752 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[NH2+]C1 104626165 573090184 /nfs/dbraw/zinc/09/01/84/573090184.db2.gz HYMKTHAZGZEHIS-UHFFFAOYSA-N 2 2 142.246 1.038 10 0 ADAELP CC(C)(C)[N@H+]1CCC[NH2+]C1 104626165 573090191 /nfs/dbraw/zinc/09/01/91/573090191.db2.gz HYMKTHAZGZEHIS-UHFFFAOYSA-N 2 2 142.246 1.038 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1Cc1cccs1 107187062 573090677 /nfs/dbraw/zinc/09/06/77/573090677.db2.gz ZQMKEUVXOCWZDJ-ZJUUUORDSA-N 2 2 196.319 1.322 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])[C@@H]1Cc1cccs1 107187062 573090684 /nfs/dbraw/zinc/09/06/84/573090684.db2.gz ZQMKEUVXOCWZDJ-ZJUUUORDSA-N 2 2 196.319 1.322 10 0 ADAELP Cc1ncccc1C[NH2+]C(C)(C)C[NH3+] 308500747 573092024 /nfs/dbraw/zinc/09/20/24/573092024.db2.gz WEOJOFJNNTXUFH-UHFFFAOYSA-N 2 2 193.294 1.217 10 0 ADAELP CC(C)Cn1c[nH+]c(CC[NH3+])c1 82529086 573092937 /nfs/dbraw/zinc/09/29/37/573092937.db2.gz ZPRUYKZNEWLGGH-UHFFFAOYSA-N 2 2 167.256 1.040 10 0 ADAELP CC[N@@H+]1CCC[C@H]1c1ncc(C[NH3+])o1 257943047 573093753 /nfs/dbraw/zinc/09/37/53/573093753.db2.gz FMLDSAOGRKMXBR-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP CC[N@H+]1CCC[C@H]1c1ncc(C[NH3+])o1 257943047 573093759 /nfs/dbraw/zinc/09/37/59/573093759.db2.gz FMLDSAOGRKMXBR-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP Cc1ccoc1C[NH2+][C@H](C)[C@H](C)[NH3+] 308256189 573094454 /nfs/dbraw/zinc/09/44/54/573094454.db2.gz JNJYCYLBSMBERE-DTWKUNHWSA-N 2 2 182.267 1.413 10 0 ADAELP CC[C@H]([NH3+])[NH+](C(C)C)C(C)C 143943058 573094876 /nfs/dbraw/zinc/09/48/76/573094876.db2.gz RHWKTXUQAMENNV-SECBINFHSA-N 2 2 158.289 1.800 10 0 ADAELP Cc1ccc([C@@]2(C[NH3+])CC[NH2+]2)cc1 258234670 573096093 /nfs/dbraw/zinc/09/60/93/573096093.db2.gz PLDFDZQOLVXFLM-NSHDSACASA-N 2 2 176.263 1.142 10 0 ADAELP Cc1ccc([C@]2(C[NH3+])CC[NH2+]2)cc1 258234663 573096335 /nfs/dbraw/zinc/09/63/35/573096335.db2.gz PLDFDZQOLVXFLM-LLVKDONJSA-N 2 2 176.263 1.142 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]2CCCC[N@@H+]21 238277090 573096886 /nfs/dbraw/zinc/09/68/86/573096886.db2.gz GBUZYSJAMHHKGI-NXEZZACHSA-N 2 2 168.284 1.570 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]2CCCC[N@H+]21 238277090 573096890 /nfs/dbraw/zinc/09/68/90/573096890.db2.gz GBUZYSJAMHHKGI-NXEZZACHSA-N 2 2 168.284 1.570 10 0 ADAELP CC[C@@H](C)c1[nH]c(C[NH3+])c[nH+]1 82562990 573097429 /nfs/dbraw/zinc/09/74/29/573097429.db2.gz UDDCDEIMFIEFJM-ZCFIWIBFSA-N 2 2 153.229 1.382 10 0 ADAELP CCCN(C)c1cc(C)[nH+]c(C[NH3+])c1 308255753 573098215 /nfs/dbraw/zinc/09/82/15/573098215.db2.gz JQWCXZOXDLCKGS-UHFFFAOYSA-N 2 2 193.294 1.695 10 0 ADAELP CCCc1ccc([C@H]([NH3+])C[NH2+]C)cc1 259325242 573098248 /nfs/dbraw/zinc/09/82/48/573098248.db2.gz LBKDEAIPRQRFFV-GFCCVEGCSA-N 2 2 192.306 1.858 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]2CCCC[N@@H+]21 238277079 573098617 /nfs/dbraw/zinc/09/86/17/573098617.db2.gz GBUZYSJAMHHKGI-VHSXEESVSA-N 2 2 168.284 1.570 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]2CCCC[N@H+]21 238277079 573098621 /nfs/dbraw/zinc/09/86/21/573098621.db2.gz GBUZYSJAMHHKGI-VHSXEESVSA-N 2 2 168.284 1.570 10 0 ADAELP Cc1ccoc1C[NH2+][C@H](C)[C@@H](C)[NH3+] 308256191 573098778 /nfs/dbraw/zinc/09/87/78/573098778.db2.gz JNJYCYLBSMBERE-RKDXNWHRSA-N 2 2 182.267 1.413 10 0 ADAELP CCN(CC)c1cc(C)[nH+]c(C[NH3+])c1 308255728 573099333 /nfs/dbraw/zinc/09/93/33/573099333.db2.gz JDKHOUSPFLTQEO-UHFFFAOYSA-N 2 2 193.294 1.695 10 0 ADAELP CCCc1ccc([C@@H]([NH3+])C[NH2+]C)cc1 259325247 573099455 /nfs/dbraw/zinc/09/94/55/573099455.db2.gz LBKDEAIPRQRFFV-LBPRGKRZSA-N 2 2 192.306 1.858 10 0 ADAELP Cc1ccoc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] 308256188 573099712 /nfs/dbraw/zinc/09/97/12/573099712.db2.gz JNJYCYLBSMBERE-BDAKNGLRSA-N 2 2 182.267 1.413 10 0 ADAELP CCC[C@@H]1[NH2+][C@H](C)CC(C)(C)[NH2+]1 238278229 573099802 /nfs/dbraw/zinc/09/98/02/573099802.db2.gz VQSSGVUUEITKJL-RKDXNWHRSA-N 2 2 170.300 1.863 10 0 ADAELP CC[C@H](C)c1[nH]c(C[NH3+])c[nH+]1 82562991 573100044 /nfs/dbraw/zinc/10/00/44/573100044.db2.gz UDDCDEIMFIEFJM-LURJTMIESA-N 2 2 153.229 1.382 10 0 ADAELP CC(C)Cc1cn(CC[NH3+])c[nH+]1 77262499 573101596 /nfs/dbraw/zinc/10/15/96/573101596.db2.gz SDIHUNGHWZKSRP-UHFFFAOYSA-N 2 2 167.256 1.040 10 0 ADAELP C[NH+](C)C[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 85665523 573106637 /nfs/dbraw/zinc/10/66/37/573106637.db2.gz MHKUVVWEFSYNOU-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1cc[nH+]c(N[C@@H](C)C[NH3+])c1 82576579 573108090 /nfs/dbraw/zinc/10/80/90/573108090.db2.gz FASWTSORHTZZCD-QMMMGPOBSA-N 2 2 165.240 1.149 10 0 ADAELP C[NH2+][C@H](c1ccc(C)cc1C)[C@@H](C)[NH3+] 259333468 573108682 /nfs/dbraw/zinc/10/86/82/573108682.db2.gz JDSOBCFIXSYMLM-PWSUYJOCSA-N 2 2 192.306 1.911 10 0 ADAELP COc1ccccc1[C@H]([NH3+])C1([NH3+])CC1 259333496 573110388 /nfs/dbraw/zinc/11/03/88/573110388.db2.gz JDZBKXDPLHEYDG-JTQLQIEISA-N 2 2 192.262 1.186 10 0 ADAELP C[NH+](C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 85665518 573112839 /nfs/dbraw/zinc/11/28/39/573112839.db2.gz MHKUVVWEFSYNOU-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](c1ccc(C)cc1C)[C@H](C)[NH3+] 259333465 573112908 /nfs/dbraw/zinc/11/29/08/573112908.db2.gz JDSOBCFIXSYMLM-JQWIXIFHSA-N 2 2 192.306 1.911 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)cc1C)[C@@H](C)[NH3+] 259333471 573113553 /nfs/dbraw/zinc/11/35/53/573113553.db2.gz JDSOBCFIXSYMLM-ZYHUDNBSSA-N 2 2 192.306 1.911 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C 642844540 573114351 /nfs/dbraw/zinc/11/43/51/573114351.db2.gz VWFYYKLTCIYTAR-NUNSBDKSSA-N 2 2 168.284 1.245 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C 642844540 573114356 /nfs/dbraw/zinc/11/43/56/573114356.db2.gz VWFYYKLTCIYTAR-NUNSBDKSSA-N 2 2 168.284 1.245 10 0 ADAELP CC1(C)C[NH2+][C@@](C)([C@H]2CCC[NH2+]2)OC1 258479765 573114683 /nfs/dbraw/zinc/11/46/83/573114683.db2.gz LGWPCIPCQBMGHI-MWLCHTKSSA-N 2 2 198.310 1.101 10 0 ADAELP COc1ccccc1[C@@H]([NH3+])C1([NH3+])CC1 259333498 573114803 /nfs/dbraw/zinc/11/48/03/573114803.db2.gz JDZBKXDPLHEYDG-SNVBAGLBSA-N 2 2 192.262 1.186 10 0 ADAELP C[NH+](C)[C@@H]1C(C)(C)CC[C@@]1(C)[NH3+] 238287571 573115564 /nfs/dbraw/zinc/11/55/64/573115564.db2.gz GRZRCBZDCKMLFO-PSASIEDQSA-N 2 2 170.300 1.454 10 0 ADAELP CC[C@@H](C[NH3+])Nc1cc(C)cc[nH+]1 82591927 573115686 /nfs/dbraw/zinc/11/56/86/573115686.db2.gz XCZXGEIYLSLNLF-VIFPVBQESA-N 2 2 179.267 1.539 10 0 ADAELP CC[C@H](C[NH3+])Nc1cccc(C)[nH+]1 82591924 573115705 /nfs/dbraw/zinc/11/57/05/573115705.db2.gz XWFVKDJDXIAQTB-SECBINFHSA-N 2 2 179.267 1.539 10 0 ADAELP CC1(C)C[NH2+][C@](C)([C@@H]2CCC[NH2+]2)OC1 258479772 573115860 /nfs/dbraw/zinc/11/58/60/573115860.db2.gz LGWPCIPCQBMGHI-ONGXEEELSA-N 2 2 198.310 1.101 10 0 ADAELP CC[C@@H](C[NH3+])Nc1cccc(C)[nH+]1 82591923 573116011 /nfs/dbraw/zinc/11/60/11/573116011.db2.gz XWFVKDJDXIAQTB-VIFPVBQESA-N 2 2 179.267 1.539 10 0 ADAELP CC[C@H](C[NH3+])Nc1cc(C)cc[nH+]1 82591928 573116547 /nfs/dbraw/zinc/11/65/47/573116547.db2.gz XCZXGEIYLSLNLF-SECBINFHSA-N 2 2 179.267 1.539 10 0 ADAELP CC1(C)C[NH2+][C@](C)([C@H]2CCC[NH2+]2)OC1 258479761 573117255 /nfs/dbraw/zinc/11/72/55/573117255.db2.gz LGWPCIPCQBMGHI-KOLCDFICSA-N 2 2 198.310 1.101 10 0 ADAELP C[C@]1(C[NH3+])CCN(c2cccc[nH+]2)C1 235710239 573117376 /nfs/dbraw/zinc/11/73/76/573117376.db2.gz HZODBQWVEPOMRX-LLVKDONJSA-N 2 2 191.278 1.257 10 0 ADAELP C[NH+](C)[C@H]([NH3+])C1CCCC1 259331106 573118468 /nfs/dbraw/zinc/11/84/68/573118468.db2.gz DXESUMZYOIXMKC-QMMMGPOBSA-N 2 2 142.246 1.023 10 0 ADAELP C[NH+](C)[C@@H]([NH3+])C1CCCC1 259331101 573118502 /nfs/dbraw/zinc/11/85/02/573118502.db2.gz DXESUMZYOIXMKC-MRVPVSSYSA-N 2 2 142.246 1.023 10 0 ADAELP CC1(C)C[NH2+][C@@](C)([C@@H]2CCC[NH2+]2)OC1 258479756 573118695 /nfs/dbraw/zinc/11/86/95/573118695.db2.gz LGWPCIPCQBMGHI-GXSJLCMTSA-N 2 2 198.310 1.101 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])c2[nH]cc[nH+]2)o1 259331459 573119167 /nfs/dbraw/zinc/11/91/67/573119167.db2.gz YMEBXMPBTKYYDM-MRVPVSSYSA-N 2 2 191.234 1.402 10 0 ADAELP C/C(=C\[NH+](C)C)C[NH+](C)C 238288197 573119488 /nfs/dbraw/zinc/11/94/88/573119488.db2.gz XJFJWRCREGOCMC-SOFGYWHQSA-N 2 2 142.246 1.013 10 0 ADAELP C[NH+](C)[C@@H]1C(C)(C)CC[C@]1(C)[NH3+] 238287579 573119716 /nfs/dbraw/zinc/11/97/16/573119716.db2.gz GRZRCBZDCKMLFO-SCZZXKLOSA-N 2 2 170.300 1.454 10 0 ADAELP Cc1ccc([C@H](C[NH3+])c2[nH]cc[nH+]2)o1 259331462 573119808 /nfs/dbraw/zinc/11/98/08/573119808.db2.gz YMEBXMPBTKYYDM-QMMMGPOBSA-N 2 2 191.234 1.402 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)C1 88423832 573120816 /nfs/dbraw/zinc/12/08/16/573120816.db2.gz NEQYEFYNLIQHQO-NOOOWODRSA-N 2 2 192.306 1.245 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)C1 88423832 573120823 /nfs/dbraw/zinc/12/08/23/573120823.db2.gz NEQYEFYNLIQHQO-NOOOWODRSA-N 2 2 192.306 1.245 10 0 ADAELP CCNC(=[NH2+])[C@@H]([NH3+])c1ccccc1 238280467 573123849 /nfs/dbraw/zinc/12/38/49/573123849.db2.gz UCRSBXWTYJZQQT-VIFPVBQESA-N 2 2 177.251 1.273 10 0 ADAELP CCNC(=[NH2+])[C@H]([NH3+])c1ccccc1 238280548 573124374 /nfs/dbraw/zinc/12/43/74/573124374.db2.gz UCRSBXWTYJZQQT-SECBINFHSA-N 2 2 177.251 1.273 10 0 ADAELP Cc1[nH+]cccc1N[C@H]1CCC[NH2+]C1 85726791 573126428 /nfs/dbraw/zinc/12/64/28/573126428.db2.gz MWQLOQGVIXJEDI-JTQLQIEISA-N 2 2 191.278 1.554 10 0 ADAELP C[NH2+][C@@H]1CCN(c2ccc[nH+]c2C)C1 85728211 573126503 /nfs/dbraw/zinc/12/65/03/573126503.db2.gz KQUPMEWZGYBHTF-SNVBAGLBSA-N 2 2 191.278 1.188 10 0 ADAELP Cc1[nH+]c[nH]c1C[C@H]1CCCC[NH2+]1 257950414 573126609 /nfs/dbraw/zinc/12/66/09/573126609.db2.gz WBLXATAZPQKGSW-SECBINFHSA-N 2 2 179.267 1.403 10 0 ADAELP Cc1[nH]c[nH+]c1C[C@H]1CCCC[NH2+]1 257950414 573126615 /nfs/dbraw/zinc/12/66/15/573126615.db2.gz WBLXATAZPQKGSW-SECBINFHSA-N 2 2 179.267 1.403 10 0 ADAELP Cc1[nH+]cccc1N1CCC[C@@H]([NH3+])C1 85728715 573126861 /nfs/dbraw/zinc/12/68/61/573126861.db2.gz YIHIMXCAWNTZNN-SNVBAGLBSA-N 2 2 191.278 1.318 10 0 ADAELP Cc1[nH+]cccc1N1CCC[NH2+]CC1 85728462 573126940 /nfs/dbraw/zinc/12/69/40/573126940.db2.gz VMASVYVYUQJTHJ-UHFFFAOYSA-N 2 2 191.278 1.190 10 0 ADAELP Cc1[nH+]cccc1N1CC[NH2+][C@H](C)C1 85728831 573127476 /nfs/dbraw/zinc/12/74/76/573127476.db2.gz KXNRLKPPOTYTFF-SECBINFHSA-N 2 2 191.278 1.188 10 0 ADAELP Cc1[nH+]c[nH]c1C[C@@H]1CCCC[NH2+]1 257950418 573127599 /nfs/dbraw/zinc/12/75/99/573127599.db2.gz WBLXATAZPQKGSW-VIFPVBQESA-N 2 2 179.267 1.403 10 0 ADAELP Cc1[nH]c[nH+]c1C[C@@H]1CCCC[NH2+]1 257950418 573127606 /nfs/dbraw/zinc/12/76/06/573127606.db2.gz WBLXATAZPQKGSW-VIFPVBQESA-N 2 2 179.267 1.403 10 0 ADAELP Cc1[nH+]cccc1N1CC[C@@H](C[NH3+])C1 85728252 573128159 /nfs/dbraw/zinc/12/81/59/573128159.db2.gz XXTSMTZOIPBJAF-JTQLQIEISA-N 2 2 191.278 1.175 10 0 ADAELP Cc1[nH+]cccc1N1CCC[C@H]([NH3+])C1 85728714 573129056 /nfs/dbraw/zinc/12/90/56/573129056.db2.gz YIHIMXCAWNTZNN-JTQLQIEISA-N 2 2 191.278 1.318 10 0 ADAELP CCc1[nH+]ccn1-c1cc[nH+]cc1 82615624 573128645 /nfs/dbraw/zinc/12/86/45/573128645.db2.gz YMQKUORYAWSOLC-UHFFFAOYSA-N 2 2 173.219 1.830 10 0 ADAELP CCSCCC[NH2+]CC[NH+](C)C 128861356 573129667 /nfs/dbraw/zinc/12/96/67/573129667.db2.gz ZWCHQSUMVUBXQD-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CCc1cn([C@@H]2CC[C@H]([NH3+])C2)c[nH+]1 74304601 573129671 /nfs/dbraw/zinc/12/96/71/573129671.db2.gz XFGRSJRRHPLTIM-WCBMZHEXSA-N 2 2 179.267 1.498 10 0 ADAELP C[NH2+][C@H]1CCN(c2ccc[nH+]c2C)C1 85728209 573130068 /nfs/dbraw/zinc/13/00/68/573130068.db2.gz KQUPMEWZGYBHTF-JTQLQIEISA-N 2 2 191.278 1.188 10 0 ADAELP CC[C@@H]1C(=[NH2+])NC(=[NH2+])[C@@H]1C 238281388 573130109 /nfs/dbraw/zinc/13/01/09/573130109.db2.gz KFYBVWSYNZFXDF-UHNVWZDZSA-N 2 2 139.202 1.206 10 0 ADAELP C[NH+](C)CC/C=C/c1ccc[nH+]c1N 308277560 573130226 /nfs/dbraw/zinc/13/02/26/573130226.db2.gz RDNNDGSZBVSCHG-ZZXKWVIFSA-N 2 2 191.278 1.629 10 0 ADAELP CCCC[N@@H+]1CCCC[NH2+][C@H](C)C1 259338781 573131246 /nfs/dbraw/zinc/13/12/46/573131246.db2.gz JFCOBHYIPZCBHT-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP Cc1[nH+]cccc1N1CC[NH2+]C[C@@H]1C 85728836 573130353 /nfs/dbraw/zinc/13/03/53/573130353.db2.gz OBZCJBZJAYQSKA-VIFPVBQESA-N 2 2 191.278 1.188 10 0 ADAELP Cc1[nH+]cccc1N1CC[NH2+]C[C@H]1C 85728838 573130588 /nfs/dbraw/zinc/13/05/88/573130588.db2.gz OBZCJBZJAYQSKA-SECBINFHSA-N 2 2 191.278 1.188 10 0 ADAELP Cc1[nH+]cccc1N[C@@H]1CCC[NH2+]C1 85726788 573130865 /nfs/dbraw/zinc/13/08/65/573130865.db2.gz MWQLOQGVIXJEDI-SNVBAGLBSA-N 2 2 191.278 1.554 10 0 ADAELP Cc1[nH+]cccc1N1CC[C@H](C[NH3+])C1 85728248 573131677 /nfs/dbraw/zinc/13/16/77/573131677.db2.gz XXTSMTZOIPBJAF-SNVBAGLBSA-N 2 2 191.278 1.175 10 0 ADAELP Cc1[nH+]cccc1N1CC[NH2+][C@@H](C)C1 85728835 573131739 /nfs/dbraw/zinc/13/17/39/573131739.db2.gz KXNRLKPPOTYTFF-VIFPVBQESA-N 2 2 191.278 1.188 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])C[C@H](c2ccco2)C1 74303305 573132212 /nfs/dbraw/zinc/13/22/12/573132212.db2.gz NJPITFZGUYOCFM-IUCAKERBSA-N 2 2 180.251 1.026 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])C[C@H](c2ccco2)C1 74303305 573132216 /nfs/dbraw/zinc/13/22/16/573132216.db2.gz NJPITFZGUYOCFM-IUCAKERBSA-N 2 2 180.251 1.026 10 0 ADAELP CCc1[nH+]c([C@H](CC)C[NH3+])[nH]c1C 258535867 573133636 /nfs/dbraw/zinc/13/36/36/573133636.db2.gz JAXJRJCLRCYHGI-MRVPVSSYSA-N 2 2 181.283 1.733 10 0 ADAELP CCCc1[nH+]c(C(C)(C)C[NH3+])[nH]c1C 258533436 573132598 /nfs/dbraw/zinc/13/25/98/573132598.db2.gz IRHHXGQBRDQFTI-UHFFFAOYSA-N 2 2 195.310 1.907 10 0 ADAELP CCCc1[nH]c(C(C)(C)C[NH3+])[nH+]c1C 258533436 573132602 /nfs/dbraw/zinc/13/26/02/573132602.db2.gz IRHHXGQBRDQFTI-UHFFFAOYSA-N 2 2 195.310 1.907 10 0 ADAELP CCCC[N@@H+]1CCCC[NH2+][C@@H](C)C1 259338784 573133170 /nfs/dbraw/zinc/13/31/70/573133170.db2.gz JFCOBHYIPZCBHT-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[N@H+]1CCCC[NH2+][C@@H](C)C1 259338784 573133173 /nfs/dbraw/zinc/13/31/73/573133173.db2.gz JFCOBHYIPZCBHT-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CC1(C[N@@H+]2CCC[NH2+]CC2)CCCC1 82625741 573133296 /nfs/dbraw/zinc/13/32/96/573133296.db2.gz QPELTNUBPXTFKU-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP CC1(C[N@H+]2CCC[NH2+]CC2)CCCC1 82625741 573133302 /nfs/dbraw/zinc/13/33/02/573133302.db2.gz QPELTNUBPXTFKU-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1CC[C@@H]1CC[C@@H]2C[C@H]12 717157613 573133511 /nfs/dbraw/zinc/13/35/11/573133511.db2.gz YENNXTUBEWNMHF-WHOHXGKFSA-N 2 2 194.322 1.456 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1CC[C@@H]1CC[C@@H]2C[C@H]12 717157613 573133514 /nfs/dbraw/zinc/13/35/14/573133514.db2.gz YENNXTUBEWNMHF-WHOHXGKFSA-N 2 2 194.322 1.456 10 0 ADAELP CCC(CC)([C@@H]([NH3+])C1CC1)[NH+](C)C 85750719 573133566 /nfs/dbraw/zinc/13/35/66/573133566.db2.gz YSHNFVZWVNFBSU-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CCc1[nH]c([C@H](CC)C[NH3+])[nH+]c1C 258535867 573133646 /nfs/dbraw/zinc/13/36/46/573133646.db2.gz JAXJRJCLRCYHGI-MRVPVSSYSA-N 2 2 181.283 1.733 10 0 ADAELP CC1CCC([C@H](C)[NH3+])([NH+](C)C)CC1 85753388 573133805 /nfs/dbraw/zinc/13/38/05/573133805.db2.gz MGDZOAXWYQBWJB-YVNMAJEFSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+][C@H](C)C(C)(C)[NH+]1CCCCC1 85741531 573133985 /nfs/dbraw/zinc/13/39/85/573133985.db2.gz UXSLTLZRVVZMRS-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCc1[nH+]c([C@@H](CC)C[NH3+])[nH]c1C 258535873 573134089 /nfs/dbraw/zinc/13/40/89/573134089.db2.gz JAXJRJCLRCYHGI-QMMMGPOBSA-N 2 2 181.283 1.733 10 0 ADAELP CCc1[nH]c([C@@H](CC)C[NH3+])[nH+]c1C 258535873 573134109 /nfs/dbraw/zinc/13/41/09/573134109.db2.gz JAXJRJCLRCYHGI-QMMMGPOBSA-N 2 2 181.283 1.733 10 0 ADAELP CC(C)([C@H]([NH3+])C1CC1)[NH+]1CCCCC1 85741430 573134258 /nfs/dbraw/zinc/13/42/58/573134258.db2.gz MCIRLNPFAGXIFP-LLVKDONJSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@@H](C)C(C)(C)[NH+]1CCCCC1 85741529 573134280 /nfs/dbraw/zinc/13/42/80/573134280.db2.gz UXSLTLZRVVZMRS-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]([NH3+])C1([NH+](C)C)CCCCC1 85753058 573134416 /nfs/dbraw/zinc/13/44/16/573134416.db2.gz AGTGTXBWZBEYPH-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CC(C)([C@@H]([NH3+])C1CC1)[NH+]1CCCCC1 85741436 573134476 /nfs/dbraw/zinc/13/44/76/573134476.db2.gz MCIRLNPFAGXIFP-NSHDSACASA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])c1cccnc1-n1cc[nH+]c1 235483244 573134668 /nfs/dbraw/zinc/13/46/68/573134668.db2.gz DTTPPFWGBLDECS-QMMMGPOBSA-N 2 2 188.234 1.287 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[NH+]1CCCCC1 85749560 573135300 /nfs/dbraw/zinc/13/53/00/573135300.db2.gz FXKVFIYVEPJKEZ-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP C[NH+](C)C1([C@H]([NH3+])C2CC2)CCCC1 85751915 573135443 /nfs/dbraw/zinc/13/54/43/573135443.db2.gz OVFGQWPEPGZLBO-SNVBAGLBSA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@@H](C)C1([NH+](C)C)CCCCC1 85753180 573135480 /nfs/dbraw/zinc/13/54/80/573135480.db2.gz AGICEIPHZZLSCI-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@](C)([C@@H](C)[NH3+])[NH+]1CCCC1 85748898 573135702 /nfs/dbraw/zinc/13/57/02/573135702.db2.gz HZGCKAGQYOBCCG-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]1CCC[C@]([C@@H](C)[NH3+])([NH+](C)C)C1 85753798 573135907 /nfs/dbraw/zinc/13/59/07/573135907.db2.gz DEZVNEVAZDSXNX-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(CC)([C@H](C)[NH3+])[NH+](C)C 85750620 573136059 /nfs/dbraw/zinc/13/60/59/573136059.db2.gz BMJRVURZTXNXKG-QMMMGPOBSA-N 2 2 158.289 1.454 10 0 ADAELP CC[C@](C)([C@@H](C)[NH3+])[NH+]1CCCCC1 85749556 573136286 /nfs/dbraw/zinc/13/62/86/573136286.db2.gz FXKVFIYVEPJKEZ-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@H]([NH3+])C1([NH+](C)C)CCCCCC1 85754141 573136387 /nfs/dbraw/zinc/13/63/87/573136387.db2.gz UNIUKBRUSMBZTD-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP C[NH+](C)C1([C@@H]([NH3+])C2CC2)CCCC1 85751917 573136472 /nfs/dbraw/zinc/13/64/72/573136472.db2.gz OVFGQWPEPGZLBO-JTQLQIEISA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@](C)([C@H](C)[NH3+])[NH+]1CCCC1 85748900 573136555 /nfs/dbraw/zinc/13/65/55/573136555.db2.gz HZGCKAGQYOBCCG-UWVGGRQHSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]([NH3+])C1([NH+](C)C)CCCCCC1 85754143 573136737 /nfs/dbraw/zinc/13/67/37/573136737.db2.gz UNIUKBRUSMBZTD-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP Cc1cccc([C@H]([NH3+])[C@@H]2CCC[NH2+]2)c1 259340231 573136776 /nfs/dbraw/zinc/13/67/76/573136776.db2.gz LOIQXMXWBMVEME-RYUDHWBXSA-N 2 2 190.290 1.747 10 0 ADAELP C[NH2+][C@@H](c1ccccc1)C1([NH3+])CC1 259340498 573136851 /nfs/dbraw/zinc/13/68/51/573136851.db2.gz SNQKAHXLDRYDNM-JTQLQIEISA-N 2 2 176.263 1.438 10 0 ADAELP C[NH+](C)C1([C@@H]([NH3+])C2CC2)CCCCC1 85753129 573136878 /nfs/dbraw/zinc/13/68/78/573136878.db2.gz LUCUOIMYAOKMRR-NSHDSACASA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])C1([NH+](C)C)CCCC1 85751827 573136904 /nfs/dbraw/zinc/13/69/04/573136904.db2.gz CZJDNNMRCADBMH-QMMMGPOBSA-N 2 2 156.273 1.208 10 0 ADAELP C[NH2+][C@H](C)C1([NH+](C)C)CCCCC1 85753181 573137138 /nfs/dbraw/zinc/13/71/38/573137138.db2.gz AGICEIPHZZLSCI-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CC[C@H](C)C2)C1 40717917 573137164 /nfs/dbraw/zinc/13/71/64/573137164.db2.gz MDJODRPPRGOUSH-FIQHERPVSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CC[C@H](C)C2)C1 40717917 573137169 /nfs/dbraw/zinc/13/71/69/573137169.db2.gz MDJODRPPRGOUSH-FIQHERPVSA-N 2 2 196.338 1.844 10 0 ADAELP C[NH2+]c1ccc(NCC[NH+](C)C)cc1 259341694 573137257 /nfs/dbraw/zinc/13/72/57/573137257.db2.gz SGMISWNYBOZUJP-UHFFFAOYSA-N 2 2 193.294 1.702 10 0 ADAELP CC[C@H]([NH3+])C1([NH+](C)C)CCCCC1 85753056 573137258 /nfs/dbraw/zinc/13/72/58/573137258.db2.gz AGTGTXBWZBEYPH-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CCC(CC)([C@@H](C)[NH3+])[NH+](C)C 85750617 573137347 /nfs/dbraw/zinc/13/73/47/573137347.db2.gz BMJRVURZTXNXKG-MRVPVSSYSA-N 2 2 158.289 1.454 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[NH+]1CCCC1 85748902 573137364 /nfs/dbraw/zinc/13/73/64/573137364.db2.gz HZGCKAGQYOBCCG-VHSXEESVSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]([NH3+])C1([NH+](C)C)CCCC1 85751829 573137508 /nfs/dbraw/zinc/13/75/08/573137508.db2.gz CZJDNNMRCADBMH-MRVPVSSYSA-N 2 2 156.273 1.208 10 0 ADAELP Cc1[nH]c(C2(C[NH3+])CC2)[nH+]c1C(C)C 258535855 573137982 /nfs/dbraw/zinc/13/79/82/573137982.db2.gz JAWFXCQGBDQLCP-UHFFFAOYSA-N 2 2 193.294 1.832 10 0 ADAELP Cc1[nH+]c(C2(C[NH3+])CC2)[nH]c1C(C)C 258535855 573137989 /nfs/dbraw/zinc/13/79/89/573137989.db2.gz JAWFXCQGBDQLCP-UHFFFAOYSA-N 2 2 193.294 1.832 10 0 ADAELP Cc1cccc([C@](C)(C[NH3+])[NH+](C)C)c1 82636928 573138028 /nfs/dbraw/zinc/13/80/28/573138028.db2.gz MJEDILSLJMUNNI-LBPRGKRZSA-N 2 2 192.306 1.731 10 0 ADAELP C[NH+](C)C1([C@H]([NH3+])C2CC2)CCCCC1 85753127 573138395 /nfs/dbraw/zinc/13/83/95/573138395.db2.gz LUCUOIMYAOKMRR-LLVKDONJSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])o1 82637320 573138523 /nfs/dbraw/zinc/13/85/23/573138523.db2.gz QFCUIMSYMLOXFR-JTQLQIEISA-N 2 2 194.278 1.511 10 0 ADAELP Cc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])o1 82637320 573138526 /nfs/dbraw/zinc/13/85/26/573138526.db2.gz QFCUIMSYMLOXFR-JTQLQIEISA-N 2 2 194.278 1.511 10 0 ADAELP CCc1[nH+]c(C2(C[NH3+])CC2)[nH]c1C 258480386 573138548 /nfs/dbraw/zinc/13/85/48/573138548.db2.gz BPWYIPRJLQYPNY-UHFFFAOYSA-N 2 2 179.267 1.271 10 0 ADAELP CCc1[nH]c(C2(C[NH3+])CC2)[nH+]c1C 258480386 573138557 /nfs/dbraw/zinc/13/85/57/573138557.db2.gz BPWYIPRJLQYPNY-UHFFFAOYSA-N 2 2 179.267 1.271 10 0 ADAELP CCc1[nH+]c2ccc(C[NH3+])cn2c1C 82636312 573138763 /nfs/dbraw/zinc/13/87/63/573138763.db2.gz XVHOFOIVJFPMLR-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP Cc1ccc([C@@](C)(C[NH3+])[NH+](C)C)cc1 82636929 573138958 /nfs/dbraw/zinc/13/89/58/573138958.db2.gz QWBBVVACGHRAOQ-GFCCVEGCSA-N 2 2 192.306 1.731 10 0 ADAELP Cc1cccc([C@H]([NH3+])[C@H]2CCC[NH2+]2)c1 259340226 573139049 /nfs/dbraw/zinc/13/90/49/573139049.db2.gz LOIQXMXWBMVEME-NEPJUHHUSA-N 2 2 190.290 1.747 10 0 ADAELP C[NH+](C)[C@](C)(C[NH3+])c1ccc(F)cc1 82637963 573139056 /nfs/dbraw/zinc/13/90/56/573139056.db2.gz NPTQGKJKSDFSDF-LLVKDONJSA-N 2 2 196.269 1.561 10 0 ADAELP CCc1[nH+]c2cc(C[NH3+])ccn2c1C 82636311 573139192 /nfs/dbraw/zinc/13/91/92/573139192.db2.gz UTSOEGKCVXWWKM-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP C[NH2+][C@H](c1ccccc1)C1([NH3+])CC1 259340501 573139227 /nfs/dbraw/zinc/13/92/27/573139227.db2.gz SNQKAHXLDRYDNM-SNVBAGLBSA-N 2 2 176.263 1.438 10 0 ADAELP Cc1cccc([C@@H]([NH3+])[C@@H]2CCC[NH2+]2)c1 259340229 573139484 /nfs/dbraw/zinc/13/94/84/573139484.db2.gz LOIQXMXWBMVEME-NWDGAFQWSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1ccc([C@](C)(C[NH3+])[NH+](C)C)cc1 82636930 573139556 /nfs/dbraw/zinc/13/95/56/573139556.db2.gz QWBBVVACGHRAOQ-LBPRGKRZSA-N 2 2 192.306 1.731 10 0 ADAELP Cc1cccc([C@@H]([NH3+])[C@H]2CCC[NH2+]2)c1 259340234 573140368 /nfs/dbraw/zinc/14/03/68/573140368.db2.gz LOIQXMXWBMVEME-VXGBXAGGSA-N 2 2 190.290 1.747 10 0 ADAELP C[NH+](C)[C@@](C)(C[NH3+])c1ccc(F)cc1 82637964 573140514 /nfs/dbraw/zinc/14/05/14/573140514.db2.gz NPTQGKJKSDFSDF-NSHDSACASA-N 2 2 196.269 1.561 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CC1)c1ccccc1F 257955377 573140610 /nfs/dbraw/zinc/14/06/10/573140610.db2.gz ATBOFQZNZIUZSB-NSHDSACASA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CC1)c1ccccc1F 257955374 573140843 /nfs/dbraw/zinc/14/08/43/573140843.db2.gz ATBOFQZNZIUZSB-LLVKDONJSA-N 2 2 194.253 1.578 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1ccc(C)c(C)c1 259340860 573140952 /nfs/dbraw/zinc/14/09/52/573140952.db2.gz JJGWMTFSTZRVKX-GFCCVEGCSA-N 2 2 192.306 1.783 10 0 ADAELP Cc1cccc([C@@](C)(C[NH3+])[NH+](C)C)c1 82636927 573141216 /nfs/dbraw/zinc/14/12/16/573141216.db2.gz MJEDILSLJMUNNI-GFCCVEGCSA-N 2 2 192.306 1.731 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1ccc(C)c(C)c1 259340863 573141321 /nfs/dbraw/zinc/14/13/21/573141321.db2.gz JJGWMTFSTZRVKX-LBPRGKRZSA-N 2 2 192.306 1.783 10 0 ADAELP [NH3+][C@H](C[NH2+]Cc1ccco1)CC1CC1 308503852 573142426 /nfs/dbraw/zinc/14/24/26/573142426.db2.gz XWHTYYHJNMUIHF-JTQLQIEISA-N 2 2 194.278 1.497 10 0 ADAELP C[NH+](C)Cc1cccc2[nH+]ccn12 89201197 573141747 /nfs/dbraw/zinc/14/17/47/573141747.db2.gz JGUPWLCHCPCPHR-UHFFFAOYSA-N 2 2 175.235 1.396 10 0 ADAELP Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])o1 82637319 573141845 /nfs/dbraw/zinc/14/18/45/573141845.db2.gz QFCUIMSYMLOXFR-SNVBAGLBSA-N 2 2 194.278 1.511 10 0 ADAELP Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])o1 82637319 573141846 /nfs/dbraw/zinc/14/18/46/573141846.db2.gz QFCUIMSYMLOXFR-SNVBAGLBSA-N 2 2 194.278 1.511 10 0 ADAELP C[N@H+](C(C1CC1)C1CC1)[C@@H]1CC[NH2+]C1 308502750 573142113 /nfs/dbraw/zinc/14/21/13/573142113.db2.gz XHKQMGAPKXAQFR-LLVKDONJSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+](C(C1CC1)C1CC1)[C@@H]1CC[NH2+]C1 308502750 573142120 /nfs/dbraw/zinc/14/21/20/573142120.db2.gz XHKQMGAPKXAQFR-LLVKDONJSA-N 2 2 194.322 1.469 10 0 ADAELP [NH3+]CC[NH2+][C@H]1CCCc2cccnc21 85789580 573142126 /nfs/dbraw/zinc/14/21/26/573142126.db2.gz DPZXZUQFFMITHI-JTQLQIEISA-N 2 2 191.278 1.007 10 0 ADAELP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CC=CC1 308503642 573142458 /nfs/dbraw/zinc/14/24/58/573142458.db2.gz BZJLGHSEPZWECK-LBPRGKRZSA-N 2 2 196.338 1.881 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CC[C@H](C2CC2)C1 308502487 573142260 /nfs/dbraw/zinc/14/22/60/573142260.db2.gz HFQKUXBVZKLKKL-RYUDHWBXSA-N 2 2 196.338 1.716 10 0 ADAELP CC[NH2+]CC[N@H+](C)C[C@@H]1C[C@@H]1C 82648333 573143031 /nfs/dbraw/zinc/14/30/31/573143031.db2.gz KADLUNWZOSIGOS-UWVGGRQHSA-N 2 2 170.300 1.184 10 0 ADAELP CC[NH2+]CC[N@@H+](C)C[C@@H]1C[C@@H]1C 82648333 573143038 /nfs/dbraw/zinc/14/30/38/573143038.db2.gz KADLUNWZOSIGOS-UWVGGRQHSA-N 2 2 170.300 1.184 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648319 573143199 /nfs/dbraw/zinc/14/31/99/573143199.db2.gz LEPNZVTZPNJJAI-CHWFTXMASA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 82648319 573143202 /nfs/dbraw/zinc/14/32/02/573143202.db2.gz LEPNZVTZPNJJAI-CHWFTXMASA-N 2 2 182.311 1.454 10 0 ADAELP CSCC[NH2+][C@@H](C)Cn1cc[nH+]c1 128909232 573143289 /nfs/dbraw/zinc/14/32/89/573143289.db2.gz KIVCBLQKQOOCNK-VIFPVBQESA-N 2 2 199.323 1.224 10 0 ADAELP CC(C)[NH2+]C[C@H](C(C)C)[NH+]1CC=CC1 308503640 573143344 /nfs/dbraw/zinc/14/33/44/573143344.db2.gz BZJLGHSEPZWECK-GFCCVEGCSA-N 2 2 196.338 1.881 10 0 ADAELP CCc1c[nH+]ccc1C[C@H](C)[NH3+] 259346394 573143464 /nfs/dbraw/zinc/14/34/64/573143464.db2.gz PJIKATIDZBLCOQ-QMMMGPOBSA-N 2 2 164.252 1.534 10 0 ADAELP CCC[NH2+]C[C@H](C(C)C)[NH+]1CC=CC1 308503587 573144552 /nfs/dbraw/zinc/14/45/52/573144552.db2.gz BUTKXTUXZXNJQG-GFCCVEGCSA-N 2 2 196.338 1.882 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CC[C@H](C2CC2)C1 308502486 573144656 /nfs/dbraw/zinc/14/46/56/573144656.db2.gz HFQKUXBVZKLKKL-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+]CC[NH2+][C@@H]1CCCc2cccnc21 85789578 573144825 /nfs/dbraw/zinc/14/48/25/573144825.db2.gz DPZXZUQFFMITHI-SNVBAGLBSA-N 2 2 191.278 1.007 10 0 ADAELP CCc1c[nH+]ccc1C[C@@H](C)[NH3+] 259346392 573145424 /nfs/dbraw/zinc/14/54/24/573145424.db2.gz PJIKATIDZBLCOQ-MRVPVSSYSA-N 2 2 164.252 1.534 10 0 ADAELP CSCC[NH2+][C@H](C)Cn1cc[nH+]c1 128909515 573145820 /nfs/dbraw/zinc/14/58/20/573145820.db2.gz KIVCBLQKQOOCNK-SECBINFHSA-N 2 2 199.323 1.224 10 0 ADAELP c1cn(-c2ccc3c(c2)C[NH2+]CC3)c[nH+]1 82655812 573145889 /nfs/dbraw/zinc/14/58/89/573145889.db2.gz XJMXUCHONYBDQJ-UHFFFAOYSA-N 2 2 199.257 1.518 10 0 ADAELP CSCC[NH2+]CC[N@H+](C)C1CC1 128954775 573146621 /nfs/dbraw/zinc/14/66/21/573146621.db2.gz NKYAJHGFSQCGEW-UHFFFAOYSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1C(C)C 82646954 573146162 /nfs/dbraw/zinc/14/61/62/573146162.db2.gz ZADIYZYWLMRPEP-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H]1CCCC[N@H+]1C(C)C 82646954 573146167 /nfs/dbraw/zinc/14/61/67/573146167.db2.gz ZADIYZYWLMRPEP-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](c1ccc(C)cc1)C1([NH3+])CC1 259342999 573146210 /nfs/dbraw/zinc/14/62/10/573146210.db2.gz SPGZUGOBKUJOFF-LLVKDONJSA-N 2 2 190.290 1.747 10 0 ADAELP C[N@H+](C(C1CC1)C1CC1)[C@H]1CC[NH2+]C1 308502751 573146340 /nfs/dbraw/zinc/14/63/40/573146340.db2.gz XHKQMGAPKXAQFR-NSHDSACASA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+](C(C1CC1)C1CC1)[C@H]1CC[NH2+]C1 308502751 573146344 /nfs/dbraw/zinc/14/63/44/573146344.db2.gz XHKQMGAPKXAQFR-NSHDSACASA-N 2 2 194.322 1.469 10 0 ADAELP CC[C@@H]([NH3+])c1ccn2cc[nH+]c2c1 238291074 573146395 /nfs/dbraw/zinc/14/63/95/573146395.db2.gz MHMZHFREOMNVDY-SECBINFHSA-N 2 2 175.235 1.744 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)cc1)C1([NH3+])CC1 259343002 573147413 /nfs/dbraw/zinc/14/74/13/573147413.db2.gz SPGZUGOBKUJOFF-NSHDSACASA-N 2 2 190.290 1.747 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648449 573147388 /nfs/dbraw/zinc/14/73/88/573147388.db2.gz KMIQJGWGOSDMJD-WISYIIOYSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 82648449 573147395 /nfs/dbraw/zinc/14/73/95/573147395.db2.gz KMIQJGWGOSDMJD-WISYIIOYSA-N 2 2 196.338 1.844 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)[C@H]1CCC[C@@H](C)C1 85798715 573147525 /nfs/dbraw/zinc/14/75/25/573147525.db2.gz XVNLPHFJXUSRKT-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP COC[C@@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220658 573147737 /nfs/dbraw/zinc/14/77/37/573147737.db2.gz UICAFJBNDBQULL-MRVPVSSYSA-N 2 2 191.234 1.209 10 0 ADAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C(C)C 82646955 573147614 /nfs/dbraw/zinc/14/76/14/573147614.db2.gz ZADIYZYWLMRPEP-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C(C)C 82646955 573147620 /nfs/dbraw/zinc/14/76/20/573147620.db2.gz ZADIYZYWLMRPEP-MNOVXSKESA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H](C[NH3+])[C@H]1c2c[nH+]ccc2C[C@@H]1C 257742844 573147604 /nfs/dbraw/zinc/14/76/04/573147604.db2.gz OXRGKAFWFKGSNL-SBMIAAHKSA-N 2 2 190.290 1.952 10 0 ADAELP CC[C@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220534 573147991 /nfs/dbraw/zinc/14/79/91/573147991.db2.gz CARSPJUQAREVJR-QMMMGPOBSA-N 2 2 175.235 1.973 10 0 ADAELP C[C@@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220521 573148528 /nfs/dbraw/zinc/14/85/28/573148528.db2.gz RMUHNWQWKUOMMW-ZCFIWIBFSA-N 2 2 161.208 1.583 10 0 ADAELP CC[C@@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220536 573148795 /nfs/dbraw/zinc/14/87/95/573148795.db2.gz CARSPJUQAREVJR-MRVPVSSYSA-N 2 2 175.235 1.973 10 0 ADAELP COC[C@H]([NH3+])c1[nH+]ccc2[nH]ccc12 89220652 573149120 /nfs/dbraw/zinc/14/91/20/573149120.db2.gz UICAFJBNDBQULL-QMMMGPOBSA-N 2 2 191.234 1.209 10 0 ADAELP C[NH+](C)C[C@@H]([NH3+])Cc1ccsc1 85798220 573149125 /nfs/dbraw/zinc/14/91/25/573149125.db2.gz XPWFPYGSSOKVAF-VIFPVBQESA-N 2 2 184.308 1.180 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+]C(C)(C)CC1 259343693 573149154 /nfs/dbraw/zinc/14/91/54/573149154.db2.gz SLFPMEDCHGPLJH-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@H+]1CC[NH2+]C(C)(C)CC1 259343693 573149160 /nfs/dbraw/zinc/14/91/60/573149160.db2.gz SLFPMEDCHGPLJH-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H](C[NH3+])[C@@H]1c2c[nH+]ccc2C[C@H]1C 257742842 573149298 /nfs/dbraw/zinc/14/92/98/573149298.db2.gz OXRGKAFWFKGSNL-KBVBSXBZSA-N 2 2 190.290 1.952 10 0 ADAELP CC[NH2+][C@@H](CCC(C)C)C[NH+](C)C 85799266 573149396 /nfs/dbraw/zinc/14/93/96/573149396.db2.gz FBVHGSILJXGSNJ-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP C[C@H](C[NH3+])[C@@H]1c2c[nH+]ccc2C[C@@H]1C 257742845 573150290 /nfs/dbraw/zinc/15/02/90/573150290.db2.gz OXRGKAFWFKGSNL-YGOYTEALSA-N 2 2 190.290 1.952 10 0 ADAELP Nc1cc[nH+]c([C@@H]([NH3+])CC2CC2)c1 104667894 573150650 /nfs/dbraw/zinc/15/06/50/573150650.db2.gz PICFDRFNZOXSJZ-VIFPVBQESA-N 2 2 177.251 1.464 10 0 ADAELP C[NH2+][C@@H](c1ccc(F)cc1)C1([NH3+])CC1 259345604 573150788 /nfs/dbraw/zinc/15/07/88/573150788.db2.gz SVEBTTQWEAIQQE-JTQLQIEISA-N 2 2 194.253 1.578 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 223618374 573151464 /nfs/dbraw/zinc/15/14/64/573151464.db2.gz DTWWUMFSUCVHRP-CKYFFXLPSA-N 2 2 194.322 1.611 10 0 ADAELP CC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 223618374 573151470 /nfs/dbraw/zinc/15/14/70/573151470.db2.gz DTWWUMFSUCVHRP-CKYFFXLPSA-N 2 2 194.322 1.611 10 0 ADAELP c1cn([C@@H]2CCC[NH2+]CC2)c[nH+]1 82666955 573151830 /nfs/dbraw/zinc/15/18/30/573151830.db2.gz AFLJQIHZZGYIAK-SECBINFHSA-N 2 2 165.240 1.198 10 0 ADAELP C[NH2+][C@@H](C[NH+](C)C)C1CCCC1 85799053 573152271 /nfs/dbraw/zinc/15/22/71/573152271.db2.gz ZLARGRHZXLMYNL-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H]([NH3+])C[NH2+]Cc1occc1C 308283887 573152311 /nfs/dbraw/zinc/15/23/11/573152311.db2.gz ZKLXXIKXRYPQAE-VIFPVBQESA-N 2 2 182.267 1.415 10 0 ADAELP CC(C)(C)[N@@H+]1C[C@H]([NH3+])CCC1(C)C 259348610 573152738 /nfs/dbraw/zinc/15/27/38/573152738.db2.gz JQYAGNZYVBJCDS-SECBINFHSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)(C)[N@H+]1C[C@H]([NH3+])CCC1(C)C 259348610 573152741 /nfs/dbraw/zinc/15/27/41/573152741.db2.gz JQYAGNZYVBJCDS-SECBINFHSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@H+](CC[NH2+]CC1CC1)CCC1CC1 308506335 573152787 /nfs/dbraw/zinc/15/27/87/573152787.db2.gz IUKAMOCJBQDNBS-UHFFFAOYSA-N 2 2 196.338 1.718 10 0 ADAELP C[N@@H+](CC[NH2+]CC1CC1)CCC1CC1 308506335 573152795 /nfs/dbraw/zinc/15/27/95/573152795.db2.gz IUKAMOCJBQDNBS-UHFFFAOYSA-N 2 2 196.338 1.718 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc2ccccc2o1 82670405 573153716 /nfs/dbraw/zinc/15/37/16/573153716.db2.gz IDFUTDVSNVCIRM-VIFPVBQESA-N 2 2 190.246 1.652 10 0 ADAELP C[NH2+][C@@H](CCC(C)(C)C)C[NH+](C)C 85799006 573154171 /nfs/dbraw/zinc/15/41/71/573154171.db2.gz GRFLRLPKNLRCPW-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP C[NH+](C)CC1([NH2+]CCCF)CCC1 308283124 573154366 /nfs/dbraw/zinc/15/43/66/573154366.db2.gz YRAYSIFRVLDEKV-UHFFFAOYSA-N 2 2 188.290 1.420 10 0 ADAELP [NH3+]C[C@H]1CCC[N@H+]1CCCC(F)F 688716605 573156964 /nfs/dbraw/zinc/15/69/64/573156964.db2.gz HEXMZPHAKVYBSO-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP CC(C)(C[NH3+])[NH2+]Cc1cncc(F)c1 308505953 573156904 /nfs/dbraw/zinc/15/69/04/573156904.db2.gz YYNWTRVEZYFBFL-UHFFFAOYSA-N 2 2 197.257 1.048 10 0 ADAELP C[NH2+][C@H](c1ccc(F)cc1)C1([NH3+])CC1 259345611 573155701 /nfs/dbraw/zinc/15/57/01/573155701.db2.gz SVEBTTQWEAIQQE-SNVBAGLBSA-N 2 2 194.253 1.578 10 0 ADAELP CCO[C@H](C)[C@@H]([NH3+])c1c[nH+]c(C)n1C 308505992 573155953 /nfs/dbraw/zinc/15/59/53/573155953.db2.gz YZMJRIIFUXARIN-GMSGAONNSA-N 2 2 197.282 1.153 10 0 ADAELP CC[C@H](C)C[NH2+]C[C@@H](CC)[NH+](C)C 128877946 573156717 /nfs/dbraw/zinc/15/67/17/573156717.db2.gz OQIIHGQYZVHTMU-WDEREUQCSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH+](C)CC12CCC(CC1)C[NH2+]2 238293506 573156957 /nfs/dbraw/zinc/15/69/57/573156957.db2.gz PYBJLWCEZPFHDC-UHFFFAOYSA-N 2 2 168.284 1.080 10 0 ADAELP [NH3+]C[C@H]1CCC[N@@H+]1CCCC(F)F 688716605 573156961 /nfs/dbraw/zinc/15/69/61/573156961.db2.gz HEXMZPHAKVYBSO-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP CCO[C@H](C)[C@H]([NH3+])c1c[nH+]c(C)n1C 308505996 573157772 /nfs/dbraw/zinc/15/77/72/573157772.db2.gz YZMJRIIFUXARIN-XCBNKYQSSA-N 2 2 197.282 1.153 10 0 ADAELP C[NH+](C)CC(C)(C)c1c[nH]c[nH+]1 238292889 573157787 /nfs/dbraw/zinc/15/77/87/573157787.db2.gz WHAVPNOAXSSWBD-UHFFFAOYSA-N 2 2 167.256 1.249 10 0 ADAELP CC(C)(C)Cc1[nH]c(C[NH3+])c[nH+]1 82675140 573157843 /nfs/dbraw/zinc/15/78/43/573157843.db2.gz BOMSQFZPNITGIZ-UHFFFAOYSA-N 2 2 167.256 1.457 10 0 ADAELP CC[C@@H](C)C[NH2+]C[C@@H](CC)[NH+](C)C 128877700 573157857 /nfs/dbraw/zinc/15/78/57/573157857.db2.gz OQIIHGQYZVHTMU-GHMZBOCLSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C[NH2+]C[C@H](C)CC)[NH+](C)C 128878139 573158402 /nfs/dbraw/zinc/15/84/02/573158402.db2.gz OQIIHGQYZVHTMU-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CCCc1[nH+]c([C@H](C)C[NH3+])[nH]c1C 258554643 573158437 /nfs/dbraw/zinc/15/84/37/573158437.db2.gz LDEWZVRIMPNJBZ-SSDOTTSWSA-N 2 2 181.283 1.733 10 0 ADAELP CCCc1[nH]c([C@H](C)C[NH3+])[nH+]c1C 258554643 573158442 /nfs/dbraw/zinc/15/84/42/573158442.db2.gz LDEWZVRIMPNJBZ-SSDOTTSWSA-N 2 2 181.283 1.733 10 0 ADAELP CC(C)CC[NH2+][C@@H]1CCC[N@H+](C)C1 40671791 573158478 /nfs/dbraw/zinc/15/84/78/573158478.db2.gz BVLGQGODDFMGAR-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[NH2+][C@@H]1CCC[N@@H+](C)C1 40671791 573158488 /nfs/dbraw/zinc/15/84/88/573158488.db2.gz BVLGQGODDFMGAR-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCCc1[nH+]c([C@@H](C)C[NH3+])[nH]c1C 258554646 573158639 /nfs/dbraw/zinc/15/86/39/573158639.db2.gz LDEWZVRIMPNJBZ-ZETCQYMHSA-N 2 2 181.283 1.733 10 0 ADAELP CCCc1[nH]c([C@@H](C)C[NH3+])[nH+]c1C 258554646 573158642 /nfs/dbraw/zinc/15/86/42/573158642.db2.gz LDEWZVRIMPNJBZ-ZETCQYMHSA-N 2 2 181.283 1.733 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])cs1 104670721 573159303 /nfs/dbraw/zinc/15/93/03/573159303.db2.gz JVBVPZBJGPLUTH-ZETCQYMHSA-N 2 2 156.254 1.015 10 0 ADAELP CC[C@H](C)C[NH2+]C[C@H](CC)[NH+](C)C 128878320 573159631 /nfs/dbraw/zinc/15/96/31/573159631.db2.gz OQIIHGQYZVHTMU-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP C[NH+]1CCN(C(=[NH2+])CC(C)(C)C)CC1 82675195 573159824 /nfs/dbraw/zinc/15/98/24/573159824.db2.gz DJNWWZLMULEZRF-UHFFFAOYSA-N 2 2 197.326 1.647 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CCC2(CCC2)C1 308507250 573159888 /nfs/dbraw/zinc/15/98/88/573159888.db2.gz JFQIMAFRRRSKPS-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CCC2(CCC2)C1 308507250 573159894 /nfs/dbraw/zinc/15/98/94/573159894.db2.gz JFQIMAFRRRSKPS-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH+](C)C[C@@]1(C2CCCC2)CCC[NH2+]1 258561384 573160301 /nfs/dbraw/zinc/16/03/01/573160301.db2.gz FSWMLGOEOKSWKF-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP c1[nH]c2ccc(CC3C[NH2+]C3)cc2[nH+]1 259037000 573160448 /nfs/dbraw/zinc/16/04/48/573160448.db2.gz CGDWLRPXYBFILU-UHFFFAOYSA-N 2 2 187.246 1.325 10 0 ADAELP CC(C)CC[NH2+][C@H]1CCC[N@H+](C)C1 40671792 573161053 /nfs/dbraw/zinc/16/10/53/573161053.db2.gz BVLGQGODDFMGAR-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[NH2+][C@H]1CCC[N@@H+](C)C1 40671792 573161059 /nfs/dbraw/zinc/16/10/59/573161059.db2.gz BVLGQGODDFMGAR-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CCn1c[nH+]cc1/C=C(\C)C[NH3+] 211669063 573162317 /nfs/dbraw/zinc/16/23/17/573162317.db2.gz WNZLFSTYVPDJAE-XBXARRHUSA-N 2 2 165.240 1.265 10 0 ADAELP Nc1cc[nH+]c([C@H]([NH3+])CC2CC2)c1 104674991 573162742 /nfs/dbraw/zinc/16/27/42/573162742.db2.gz PICFDRFNZOXSJZ-SECBINFHSA-N 2 2 177.251 1.464 10 0 ADAELP C[NH2+]CC[C@@H]([NH2+]C)c1ccc(C)o1 259350300 573162659 /nfs/dbraw/zinc/16/26/59/573162659.db2.gz JSMACLPCHDKEAE-SECBINFHSA-N 2 2 182.267 1.458 10 0 ADAELP CCSCC[NH2+]CCn1cc[nH+]c1 128901311 573163013 /nfs/dbraw/zinc/16/30/13/573163013.db2.gz HDAMIPGOCDCAGV-UHFFFAOYSA-N 2 2 199.323 1.226 10 0 ADAELP CC[N@H+](Cc1c[nH+]c(C)[nH]1)C(C)C 308285334 573163017 /nfs/dbraw/zinc/16/30/17/573163017.db2.gz DBZKXZLJRARFDR-UHFFFAOYSA-N 2 2 181.283 1.948 10 0 ADAELP CC[N@@H+](Cc1c[nH+]c(C)[nH]1)C(C)C 308285334 573163025 /nfs/dbraw/zinc/16/30/25/573163025.db2.gz DBZKXZLJRARFDR-UHFFFAOYSA-N 2 2 181.283 1.948 10 0 ADAELP C[C@H](C[NH3+])[C@H]1c2ccc[nH+]c2C[C@H]1C 257741913 573163090 /nfs/dbraw/zinc/16/30/90/573163090.db2.gz LKUFTTWZIMXUND-LNLATYFQSA-N 2 2 190.290 1.952 10 0 ADAELP CCC[C@H]([NH3+])c1cc(N)cc[nH+]1 104674246 573163162 /nfs/dbraw/zinc/16/31/62/573163162.db2.gz MYPYLMFZIIFTFO-QMMMGPOBSA-N 2 2 165.240 1.464 10 0 ADAELP C[C@H](C[NH3+])[C@@H]1c2ccc[nH+]c2C[C@H]1C 257741909 573163177 /nfs/dbraw/zinc/16/31/77/573163177.db2.gz LKUFTTWZIMXUND-KBVBSXBZSA-N 2 2 190.290 1.952 10 0 ADAELP Cc1[nH+]c(C2CCOCC2)[nH]c1C[NH3+] 258236704 573163221 /nfs/dbraw/zinc/16/32/21/573163221.db2.gz ZYMPJDOLSONBEK-UHFFFAOYSA-N 2 2 195.266 1.071 10 0 ADAELP CC[C@H]([NH3+])c1cc(N)cc[nH+]1 104674240 573163828 /nfs/dbraw/zinc/16/38/28/573163828.db2.gz RTCNIXOJNGWCDN-ZETCQYMHSA-N 2 2 151.213 1.074 10 0 ADAELP C[NH+](C)C[C@]1(C2CCCC2)CCC[NH2+]1 258561387 573164482 /nfs/dbraw/zinc/16/44/82/573164482.db2.gz FSWMLGOEOKSWKF-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[NH2+][C@@H](C)CCc1cn(C)c[nH+]1 308513072 573164670 /nfs/dbraw/zinc/16/46/70/573164670.db2.gz CWQPVJRWCPSAEZ-JTQLQIEISA-N 2 2 195.310 1.741 10 0 ADAELP C[NH2+]CC[C@H]([NH2+]C)c1ccc(C)o1 259350301 573164779 /nfs/dbraw/zinc/16/47/79/573164779.db2.gz JSMACLPCHDKEAE-VIFPVBQESA-N 2 2 182.267 1.458 10 0 ADAELP CNc1[nH+]c(C)cc(C)c1C1([NH3+])CC1 104675393 573165232 /nfs/dbraw/zinc/16/52/32/573165232.db2.gz CQGPMXLWWLIESI-UHFFFAOYSA-N 2 2 191.278 1.688 10 0 ADAELP CCC[NH2+][C@H](C)CCc1cn(C)c[nH+]1 308513073 573165545 /nfs/dbraw/zinc/16/55/45/573165545.db2.gz CWQPVJRWCPSAEZ-SNVBAGLBSA-N 2 2 195.310 1.741 10 0 ADAELP C[NH+](C)[C@H]1C(C)(C)CC[C@@]1(C)[NH3+] 238297437 573165894 /nfs/dbraw/zinc/16/58/94/573165894.db2.gz GRZRCBZDCKMLFO-WCBMZHEXSA-N 2 2 170.300 1.454 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccsc1Cl 104674145 573165961 /nfs/dbraw/zinc/16/59/61/573165961.db2.gz RYTSMLNZRPGMDV-YFKPBYRVSA-N 2 2 176.672 1.360 10 0 ADAELP CCOCCc1[nH]c([C@@H](C)[NH2+]C)c[nH+]1 308511572 573165974 /nfs/dbraw/zinc/16/59/74/573165974.db2.gz CJVGKRGYEMJAPR-MRVPVSSYSA-N 2 2 197.282 1.269 10 0 ADAELP C[C@H](C[NH3+])[C@@H]1c2ccc[nH+]c2C[C@@H]1C 257741920 573166122 /nfs/dbraw/zinc/16/61/22/573166122.db2.gz LKUFTTWZIMXUND-YGOYTEALSA-N 2 2 190.290 1.952 10 0 ADAELP CC1(C)C[NH+]([C@H](C[NH3+])C2(C)CC2)C1 642855451 573166147 /nfs/dbraw/zinc/16/61/47/573166147.db2.gz DGQGWCHDBLZPFS-SECBINFHSA-N 2 2 182.311 1.456 10 0 ADAELP Nc1cc[nH+]c([C@H]2CCC[NH2+]2)c1 104674998 573166201 /nfs/dbraw/zinc/16/62/01/573166201.db2.gz UIMCKJVXKRHNAG-MRVPVSSYSA-N 2 2 163.224 1.088 10 0 ADAELP c1cn2cc([C@@H]3CC[NH2+]3)ccc2[nH+]1 104674091 573166235 /nfs/dbraw/zinc/16/62/35/573166235.db2.gz YCYYIIMZMAGKMU-VIFPVBQESA-N 2 2 173.219 1.369 10 0 ADAELP c1cn2cc([C@H]3CC[NH2+]3)ccc2[nH+]1 104674093 573167305 /nfs/dbraw/zinc/16/73/05/573167305.db2.gz YCYYIIMZMAGKMU-SECBINFHSA-N 2 2 173.219 1.369 10 0 ADAELP CCOCCc1[nH]c([C@H](C)[NH2+]C)c[nH+]1 308511574 573167455 /nfs/dbraw/zinc/16/74/55/573167455.db2.gz CJVGKRGYEMJAPR-QMMMGPOBSA-N 2 2 197.282 1.269 10 0 ADAELP CC(C)(C)OCC[NH2+]Cc1c[nH+]c[nH]1 308513451 573167839 /nfs/dbraw/zinc/16/78/39/573167839.db2.gz OOKMUFLJSYIPHI-UHFFFAOYSA-N 2 2 197.282 1.314 10 0 ADAELP [NH3+][C@@H]1C[NH2+]Cc2scc(C3CC3)c21 211586325 573167914 /nfs/dbraw/zinc/16/79/14/573167914.db2.gz YCISSSIWPFDOMF-MRVPVSSYSA-N 2 2 194.303 1.729 10 0 ADAELP Nc1cc[nH+]c([C@@H]([NH3+])C2CC2)c1 104674260 573167943 /nfs/dbraw/zinc/16/79/43/573167943.db2.gz FSZCGUKGOZVMCH-VIFPVBQESA-N 2 2 163.224 1.074 10 0 ADAELP Nc1cc[nH+]c([C@H]2CCCC[NH2+]2)c1 104675001 573168382 /nfs/dbraw/zinc/16/83/82/573168382.db2.gz HCYTWPFUKBOCSJ-SECBINFHSA-N 2 2 177.251 1.478 10 0 ADAELP C[C@H](C[NH3+])[C@H]1c2ccc[nH+]c2C[C@@H]1C 257741916 573168740 /nfs/dbraw/zinc/16/87/40/573168740.db2.gz LKUFTTWZIMXUND-SBMIAAHKSA-N 2 2 190.290 1.952 10 0 ADAELP CCCC[NH2+][C@H]1CCC[N@H+](C)C1 40672306 573169762 /nfs/dbraw/zinc/16/97/62/573169762.db2.gz KEBYITAMRFHWTH-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCCC[NH2+][C@H]1CCC[N@@H+](C)C1 40672306 573169774 /nfs/dbraw/zinc/16/97/74/573169774.db2.gz KEBYITAMRFHWTH-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP C[NH2+]CC1(C[NH2+]Cc2ccco2)CC1 258563384 573169956 /nfs/dbraw/zinc/16/99/56/573169956.db2.gz CBHKVTFZSJKWET-UHFFFAOYSA-N 2 2 194.278 1.369 10 0 ADAELP CCC(CC)(C[NH3+])[N@@H+]1CC[C@@H](F)C1 689927968 573170111 /nfs/dbraw/zinc/17/01/11/573170111.db2.gz JULLNFYGJGWCFY-SECBINFHSA-N 2 2 188.290 1.548 10 0 ADAELP CCC(CC)(C[NH3+])[N@H+]1CC[C@@H](F)C1 689927968 573170115 /nfs/dbraw/zinc/17/01/15/573170115.db2.gz JULLNFYGJGWCFY-SECBINFHSA-N 2 2 188.290 1.548 10 0 ADAELP CCC(CC)(C[NH3+])[N@@H+]1CC[C@H](F)C1 689927979 573170430 /nfs/dbraw/zinc/17/04/30/573170430.db2.gz JULLNFYGJGWCFY-VIFPVBQESA-N 2 2 188.290 1.548 10 0 ADAELP CCC(CC)(C[NH3+])[N@H+]1CC[C@H](F)C1 689927979 573170432 /nfs/dbraw/zinc/17/04/32/573170432.db2.gz JULLNFYGJGWCFY-VIFPVBQESA-N 2 2 188.290 1.548 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]CC[C@H]1C=CCC1 128993141 573170437 /nfs/dbraw/zinc/17/04/37/573170437.db2.gz FAXGHQRFFQXWID-NEPJUHHUSA-N 2 2 196.338 1.882 10 0 ADAELP CC1CC([N@@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 123763558 573170511 /nfs/dbraw/zinc/17/05/11/573170511.db2.gz GRMIQLHZFYKWEB-ZYXZCXLHSA-N 2 2 194.322 1.611 10 0 ADAELP CC1CC([N@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 123763558 573170517 /nfs/dbraw/zinc/17/05/17/573170517.db2.gz GRMIQLHZFYKWEB-ZYXZCXLHSA-N 2 2 194.322 1.611 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCS[C@H](C)C1 123758746 573171089 /nfs/dbraw/zinc/17/10/89/573171089.db2.gz JDSUNMQGEHTACH-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCS[C@H](C)C1 123758746 573171094 /nfs/dbraw/zinc/17/10/94/573171094.db2.gz JDSUNMQGEHTACH-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP Cc1[nH]c([C@H](C)C[NH3+])[nH+]c1C(C)C 258566287 573171673 /nfs/dbraw/zinc/17/16/73/573171673.db2.gz MUQQEIRDDMUXEU-SSDOTTSWSA-N 2 2 181.283 1.904 10 0 ADAELP Cc1[nH+]c([C@H](C)C[NH3+])[nH]c1C(C)C 258566287 573171682 /nfs/dbraw/zinc/17/16/82/573171682.db2.gz MUQQEIRDDMUXEU-SSDOTTSWSA-N 2 2 181.283 1.904 10 0 ADAELP C[NH2+]CC[N@H+](C)CC[C@H]1C=CCC1 128996476 573172145 /nfs/dbraw/zinc/17/21/45/573172145.db2.gz BBZAIXWADYISQF-NSHDSACASA-N 2 2 182.311 1.494 10 0 ADAELP C[NH2+]CC[N@@H+](C)CC[C@H]1C=CCC1 128996476 573172150 /nfs/dbraw/zinc/17/21/50/573172150.db2.gz BBZAIXWADYISQF-NSHDSACASA-N 2 2 182.311 1.494 10 0 ADAELP CCC[C@](C)(C[NH3+])[N@@H+]1CC[C@H](F)C1 689929205 573172170 /nfs/dbraw/zinc/17/21/70/573172170.db2.gz LRVFQLDWUGNMLX-VHSXEESVSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@](C)(C[NH3+])[N@H+]1CC[C@H](F)C1 689929205 573172177 /nfs/dbraw/zinc/17/21/77/573172177.db2.gz LRVFQLDWUGNMLX-VHSXEESVSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@](C)(C[NH3+])[N@@H+]1CC[C@@H](F)C1 689929198 573172275 /nfs/dbraw/zinc/17/22/75/573172275.db2.gz LRVFQLDWUGNMLX-NXEZZACHSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@](C)(C[NH3+])[N@H+]1CC[C@@H](F)C1 689929198 573172286 /nfs/dbraw/zinc/17/22/86/573172286.db2.gz LRVFQLDWUGNMLX-NXEZZACHSA-N 2 2 188.290 1.548 10 0 ADAELP CC[NH2+]CC[N@H+](C)CC[C@@H]1C=CCC1 128997156 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689929203 573175980 /nfs/dbraw/zinc/17/59/80/573175980.db2.gz LRVFQLDWUGNMLX-UWVGGRQHSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@@](C)(C[NH3+])[N@@H+]1CC[C@@H](F)C1 689929208 573176028 /nfs/dbraw/zinc/17/60/28/573176028.db2.gz LRVFQLDWUGNMLX-ZJUUUORDSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@@](C)(C[NH3+])[N@H+]1CC[C@@H](F)C1 689929208 573176032 /nfs/dbraw/zinc/17/60/32/573176032.db2.gz LRVFQLDWUGNMLX-ZJUUUORDSA-N 2 2 188.290 1.548 10 0 ADAELP CCn1c[nH+]c(CC[C@@H]([NH3+])C(C)C)c1 308510689 573177313 /nfs/dbraw/zinc/17/73/13/573177313.db2.gz BWXFFZBCTLTHQR-LLVKDONJSA-N 2 2 195.310 1.819 10 0 ADAELP Cc1ccc(N(C)C)cc1[C@@H]([NH3+])C[NH3+] 104682225 573177711 /nfs/dbraw/zinc/17/77/11/573177711.db2.gz LTTWRMDXSGSHGU-NSHDSACASA-N 2 2 193.294 1.020 10 0 ADAELP Cc1cc(N)[nH+]c(C)c1C1([NH3+])CC1 104679696 573177955 /nfs/dbraw/zinc/17/79/55/573177955.db2.gz ZAZIEAPWVVYJQM-UHFFFAOYSA-N 2 2 177.251 1.228 10 0 ADAELP COc1cc(C)[nH+]c(C)c1C1([NH3+])CC1 104680741 573178619 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NUAWUBXRWQEBEM-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP c1[nH]c(C[NH2+][C@@H]2CC[C@H]2C2CC2)c[nH+]1 308515988 573192301 /nfs/dbraw/zinc/19/23/01/573192301.db2.gz MSAHSABZWUILAP-WDEREUQCSA-N 2 2 191.278 1.688 10 0 ADAELP c1[nH]c(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c[nH+]1 308515685 573193138 /nfs/dbraw/zinc/19/31/38/573193138.db2.gz MSAHSABZWUILAP-GHMZBOCLSA-N 2 2 191.278 1.688 10 0 ADAELP CCc1[nH]c(C)c(CC2C[NH2+]C2)[nH+]1 257963813 573194734 /nfs/dbraw/zinc/19/47/34/573194734.db2.gz XRAUOQOIYZQJJR-UHFFFAOYSA-N 2 2 179.267 1.042 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)C(C)C 308516186 573195116 /nfs/dbraw/zinc/19/51/16/573195116.db2.gz NUAWUBXRWQEBEM-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)C(C)C 308516186 573195122 /nfs/dbraw/zinc/19/51/22/573195122.db2.gz NUAWUBXRWQEBEM-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP Cc1[nH]c2c([nH+]1)C[C@@H]1C[C@H]2CC[NH2+]1 115502076 573196901 /nfs/dbraw/zinc/19/69/01/573196901.db2.gz DLNFPFMCOVGHSY-SFYZADRCSA-N 2 2 177.251 1.110 10 0 ADAELP CC1=[NH+][C@H](C)C[NH2+][C@H](C)C1 104698898 573198404 /nfs/dbraw/zinc/19/84/04/573198404.db2.gz VNXXDJYSTJIMPO-HTRCEHHLSA-N 2 2 140.230 1.218 10 0 ADAELP C[NH2+][C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] 259367690 573201122 /nfs/dbraw/zinc/20/11/22/573201122.db2.gz KLVNBAZDGKPCAD-GMSGAONNSA-N 2 2 182.242 1.433 10 0 ADAELP C[C@H](C[NH3+])[C@H]1c2cc[nH+]cc2C[C@H]1C 257746623 573201347 /nfs/dbraw/zinc/20/13/47/573201347.db2.gz XVFMCGZYAXUEMO-LNLATYFQSA-N 2 2 190.290 1.952 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccccc1F 257969934 573201458 /nfs/dbraw/zinc/20/14/58/573201458.db2.gz BTMUMQADNWBHPN-SECBINFHSA-N 2 2 168.215 1.045 10 0 ADAELP C[C@@H](SCC[NH3+])c1c[nH+]c[nH]1 197181331 573201811 /nfs/dbraw/zinc/20/18/11/573201811.db2.gz AKGUOPHIDRYMCY-ZCFIWIBFSA-N 2 2 171.269 1.163 10 0 ADAELP C[C@@H](SCC[NH3+])c1c[nH]c[nH+]1 197181331 573201817 /nfs/dbraw/zinc/20/18/17/573201817.db2.gz AKGUOPHIDRYMCY-ZCFIWIBFSA-N 2 2 171.269 1.163 10 0 ADAELP C[NH2+][C@H](c1ccccc1C)[C@@H](C)[NH3+] 259371559 573201836 /nfs/dbraw/zinc/20/18/36/573201836.db2.gz KOYLVPYZBYTCBQ-KOLCDFICSA-N 2 2 178.279 1.603 10 0 ADAELP [NH3+]C1CC(c2ccc3[nH]c[nH+]c3c2)C1 259367188 573202110 /nfs/dbraw/zinc/20/21/10/573202110.db2.gz UUZNCZZFFYNBNF-UHFFFAOYSA-N 2 2 187.246 1.768 10 0 ADAELP C[C@H](C[NH3+])[C@H]1c2cc[nH+]cc2C[C@@H]1C 257746624 573202170 /nfs/dbraw/zinc/20/21/70/573202170.db2.gz XVFMCGZYAXUEMO-SBMIAAHKSA-N 2 2 190.290 1.952 10 0 ADAELP C[NH2+][C@H](c1cccc(F)c1)[C@H](C)[NH3+] 259367698 573202256 /nfs/dbraw/zinc/20/22/56/573202256.db2.gz KLVNBAZDGKPCAD-XVKPBYJWSA-N 2 2 182.242 1.433 10 0 ADAELP CC[NH2+][C@@H](C)C[C@H](C)n1cc[nH+]c1 82803570 573203750 /nfs/dbraw/zinc/20/37/50/573203750.db2.gz UJWIGOYBLBOKLX-UWVGGRQHSA-N 2 2 181.283 1.832 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccccc1F 257969936 573203842 /nfs/dbraw/zinc/20/38/42/573203842.db2.gz BTMUMQADNWBHPN-VIFPVBQESA-N 2 2 168.215 1.045 10 0 ADAELP C[NH2+][C@H](c1cccc(F)c1)[C@@H](C)[NH3+] 259367695 573203974 /nfs/dbraw/zinc/20/39/74/573203974.db2.gz KLVNBAZDGKPCAD-XCBNKYQSSA-N 2 2 182.242 1.433 10 0 ADAELP C[NH2+][C@@H](c1ccccc1C)[C@H](C)[NH3+] 259371556 573204117 /nfs/dbraw/zinc/20/41/17/573204117.db2.gz KOYLVPYZBYTCBQ-GXSJLCMTSA-N 2 2 178.279 1.603 10 0 ADAELP C[NH2+][C@H](c1ccccc1C)[C@H](C)[NH3+] 259371564 573204148 /nfs/dbraw/zinc/20/41/48/573204148.db2.gz KOYLVPYZBYTCBQ-ONGXEEELSA-N 2 2 178.279 1.603 10 0 ADAELP C[C@@H](C[C@@H](C)[NH3+])n1cc[nH+]c1 82803557 573204246 /nfs/dbraw/zinc/20/42/46/573204246.db2.gz ZSDOEMRYVQKBFH-SFYZADRCSA-N 2 2 153.229 1.181 10 0 ADAELP CC(C)C[C@@H](C[NH3+])[N@@H+]1CC[C@H](F)C1 689933451 573204610 /nfs/dbraw/zinc/20/46/10/573204610.db2.gz XNLCYQYUMPKZMG-UWVGGRQHSA-N 2 2 188.290 1.404 10 0 ADAELP C[C@H]([NH3+])C[C@H](C)n1cc[nH+]c1 82803554 573204329 /nfs/dbraw/zinc/20/43/29/573204329.db2.gz ZSDOEMRYVQKBFH-YUMQZZPRSA-N 2 2 153.229 1.181 10 0 ADAELP CC(C)C[C@@H](C[NH3+])[N@H+]1CC[C@H](F)C1 689933451 573204615 /nfs/dbraw/zinc/20/46/15/573204615.db2.gz XNLCYQYUMPKZMG-UWVGGRQHSA-N 2 2 188.290 1.404 10 0 ADAELP C[C@@H]([NH3+])C[C@@H](C)n1cc[nH+]c1 82803549 573206155 /nfs/dbraw/zinc/20/61/55/573206155.db2.gz ZSDOEMRYVQKBFH-HTQZYQBOSA-N 2 2 153.229 1.181 10 0 ADAELP CC(C)C[C@@H](C[NH3+])[N@@H+]1CC[C@@H](F)C1 689933462 573206185 /nfs/dbraw/zinc/20/61/85/573206185.db2.gz XNLCYQYUMPKZMG-ZJUUUORDSA-N 2 2 188.290 1.404 10 0 ADAELP CC(C)C[C@@H](C[NH3+])[N@H+]1CC[C@@H](F)C1 689933462 573206189 /nfs/dbraw/zinc/20/61/89/573206189.db2.gz XNLCYQYUMPKZMG-ZJUUUORDSA-N 2 2 188.290 1.404 10 0 ADAELP CC[C@@H](C)[NH2+]CC[NH2+][C@H]1CC12CC2 715668078 573206444 /nfs/dbraw/zinc/20/64/44/573206444.db2.gz MSGAWSZCSXGSRJ-ZJUUUORDSA-N 2 2 182.311 1.517 10 0 ADAELP c1ccn2cc(CC3C[NH2+]C3)[nH+]c2c1 257965462 573206651 /nfs/dbraw/zinc/20/66/51/573206651.db2.gz XXIGJSOTFNCOMG-UHFFFAOYSA-N 2 2 187.246 1.096 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@H+]1[C@H](C)[C@@H](C)[NH3+] 224681387 573206700 /nfs/dbraw/zinc/20/67/00/573206700.db2.gz XIZDBLYEEWUSRJ-CHWFTXMASA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@@H+]1[C@H](C)[C@@H](C)[NH3+] 224681387 573206705 /nfs/dbraw/zinc/20/67/05/573206705.db2.gz XIZDBLYEEWUSRJ-CHWFTXMASA-N 2 2 184.327 1.843 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1ccc(C)cc1 259603549 573206985 /nfs/dbraw/zinc/20/69/85/573206985.db2.gz XDAFUZSUEJWSJJ-LLVKDONJSA-N 2 2 178.279 1.475 10 0 ADAELP CC[C@H](C)[NH2+]CC[NH2+][C@H]1CC12CC2 715668074 573207071 /nfs/dbraw/zinc/20/70/71/573207071.db2.gz MSGAWSZCSXGSRJ-UWVGGRQHSA-N 2 2 182.311 1.517 10 0 ADAELP C[NH+](C)C[C@@]1(C(C)(C)C)CCC[NH2+]1 258585427 573207411 /nfs/dbraw/zinc/20/74/11/573207411.db2.gz HCNDFSFKMSAMHT-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CSC)C1 252918408 573209445 /nfs/dbraw/zinc/20/94/45/573209445.db2.gz YUWBYWAEKGBRLW-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CSC)C1 252918408 573209450 /nfs/dbraw/zinc/20/94/50/573209450.db2.gz YUWBYWAEKGBRLW-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC(C)C[C@H](C[NH3+])[N@@H+]1CC[C@@H](F)C1 689933446 573209676 /nfs/dbraw/zinc/20/96/76/573209676.db2.gz XNLCYQYUMPKZMG-NXEZZACHSA-N 2 2 188.290 1.404 10 0 ADAELP CC(C)C[C@H](C[NH3+])[N@H+]1CC[C@@H](F)C1 689933446 573209681 /nfs/dbraw/zinc/20/96/81/573209681.db2.gz XNLCYQYUMPKZMG-NXEZZACHSA-N 2 2 188.290 1.404 10 0 ADAELP C[C@H]([NH2+]C1CC1)[C@@H](C)c1cn(C)c[nH+]1 308517330 573214802 /nfs/dbraw/zinc/21/48/02/573214802.db2.gz FUWXKRDCPBWGNN-BDAKNGLRSA-N 2 2 193.294 1.664 10 0 ADAELP CC[C@@H](C[NH2+]CC(C)C)[NH+]1CC=CC1 308517954 573215936 /nfs/dbraw/zinc/21/59/36/573215936.db2.gz PBGKYEUPIZLJBG-LBPRGKRZSA-N 2 2 196.338 1.882 10 0 ADAELP CC[N@H+](C)[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82829649 573216300 /nfs/dbraw/zinc/21/63/00/573216300.db2.gz JZSMPFMKVYQYFF-ZRUFSTJUSA-N 2 2 184.327 1.700 10 0 ADAELP CC[N@@H+](C)[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82829649 573216304 /nfs/dbraw/zinc/21/63/04/573216304.db2.gz JZSMPFMKVYQYFF-ZRUFSTJUSA-N 2 2 184.327 1.700 10 0 ADAELP CCSCC[NH2+][C@H](C)C[NH+](C)C 129071241 573217824 /nfs/dbraw/zinc/21/78/24/573217824.db2.gz YIIVXSUDRDXXIJ-SECBINFHSA-N 2 2 190.356 1.279 10 0 ADAELP [NH3+]CCC[C@@H]1C[NH2+]c2ccc(O)cc21 257974148 573217865 /nfs/dbraw/zinc/21/78/65/573217865.db2.gz GQKYXGJLRWOKGH-MRVPVSSYSA-N 2 2 192.262 1.640 10 0 ADAELP [NH3+]CCC[C@H]1C[NH2+]c2ccc(O)cc21 257974151 573218606 /nfs/dbraw/zinc/21/86/06/573218606.db2.gz GQKYXGJLRWOKGH-QMMMGPOBSA-N 2 2 192.262 1.640 10 0 ADAELP CC[C@H](CCc1cn(CC)c[nH+]1)[NH2+]C 308519419 573219736 /nfs/dbraw/zinc/21/97/36/573219736.db2.gz GYXCZMQDPGDLNR-SNVBAGLBSA-N 2 2 195.310 1.834 10 0 ADAELP CCc1[nH+]cn(C)c1C1CC[NH2+]CC1 258595175 573219919 /nfs/dbraw/zinc/21/99/19/573219919.db2.gz NOFODIIACUOIAZ-UHFFFAOYSA-N 2 2 193.294 1.450 10 0 ADAELP [NH3+][C@H](C[NH2+]CCF)Cc1ccccc1 308519119 573220081 /nfs/dbraw/zinc/22/00/81/573220081.db2.gz GWVXVQRSWCTYCI-NSHDSACASA-N 2 2 196.269 1.116 10 0 ADAELP 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LBOBZRAFRWOELI-VIFPVBQESA-N 2 2 162.236 1.178 10 0 ADAELP C/C=C\C[NH2+]CCCn1cc[nH+]c1 308311051 573226393 /nfs/dbraw/zinc/22/63/93/573226393.db2.gz RKVJBVZGYRZRJJ-IHWYPQMZSA-N 2 2 179.267 1.439 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH+]1C[C@H](C)[C@@H](C)C1 86015315 573226412 /nfs/dbraw/zinc/22/64/12/573226412.db2.gz SXJBJZLSICVHDK-DCAQKATOSA-N 2 2 184.327 1.558 10 0 ADAELP Cc1c[nH+]cc(CCC[NH3+])c1 82840575 573226573 /nfs/dbraw/zinc/22/65/73/573226573.db2.gz JKXBRDBLPHUINQ-UHFFFAOYSA-N 2 2 150.225 1.281 10 0 ADAELP C[C@H]1C[NH+](CC2([NH3+])CCCC2)C[C@@H]1C 86015517 573226589 /nfs/dbraw/zinc/22/65/89/573226589.db2.gz BDKZTEHCHAPNRG-QWRGUYRKSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2CCCC[C@@H]2[NH3+])C[C@H]1C 86009706 573226605 /nfs/dbraw/zinc/22/66/05/573226605.db2.gz SUNYQWTYPWVDFD-WISYIIOYSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1C[NH+](C[C@]2(C)CCC[NH2+]2)C[C@H]1C 86014994 573227565 /nfs/dbraw/zinc/22/75/65/573227565.db2.gz HWTNSVAPXXZRIS-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 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ADAELP C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1C 86009703 573228184 /nfs/dbraw/zinc/22/81/84/573228184.db2.gz SUNYQWTYPWVDFD-WHOHXGKFSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2CCCC[NH2+]C2)C[C@H]1C 86012936 573228251 /nfs/dbraw/zinc/22/82/51/573228251.db2.gz RVLGYKOHIHPJQR-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)Cc1c[nH]c(C(C)(C)C[NH3+])[nH+]1 259037843 573228321 /nfs/dbraw/zinc/22/83/21/573228321.db2.gz HEWIMKVDDNTZHK-UHFFFAOYSA-N 2 2 195.310 1.845 10 0 ADAELP CC1=CC[N@H+](C[C@@H]([NH3+])CC2CC2)CC1 308519776 573228334 /nfs/dbraw/zinc/22/83/34/573228334.db2.gz HBVDKCAFLBVMHP-LBPRGKRZSA-N 2 2 194.322 1.766 10 0 ADAELP CC1=CC[N@@H+](C[C@@H]([NH3+])CC2CC2)CC1 308519776 573228340 /nfs/dbraw/zinc/22/83/40/573228340.db2.gz HBVDKCAFLBVMHP-LBPRGKRZSA-N 2 2 194.322 1.766 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C 86009348 573228345 /nfs/dbraw/zinc/22/83/45/573228345.db2.gz WMOVCJVZDXPASG-CHWFTXMASA-N 2 2 182.311 1.454 10 0 ADAELP Cc1ccc(C2(C[NH3+])C[NH+](C)C2)cc1 258596667 573229236 /nfs/dbraw/zinc/22/92/36/573229236.db2.gz MUCDZHLGCOHNDL-UHFFFAOYSA-N 2 2 190.290 1.137 10 0 ADAELP Cc1ccccc1C1(C[NH3+])C[NH+](C)C1 258487206 573230774 /nfs/dbraw/zinc/23/07/74/573230774.db2.gz AQOPPSJCLGSGBT-UHFFFAOYSA-N 2 2 190.290 1.137 10 0 ADAELP CC[NH2+]C[C@H]([NH2+]C)c1cccc(C)c1 259385151 573231260 /nfs/dbraw/zinc/23/12/60/573231260.db2.gz MBTATFFAEQSKEK-LBPRGKRZSA-N 2 2 192.306 1.865 10 0 ADAELP CCCC[N@H+](CC[NH3+])CCOCC 42691046 573231680 /nfs/dbraw/zinc/23/16/80/573231680.db2.gz MNUBPUSMAFHRSW-UHFFFAOYSA-N 2 2 188.315 1.084 10 0 ADAELP CCCC[N@@H+](CC[NH3+])CCOCC 42691046 573231685 /nfs/dbraw/zinc/23/16/85/573231685.db2.gz MNUBPUSMAFHRSW-UHFFFAOYSA-N 2 2 188.315 1.084 10 0 ADAELP CC[C@H](C[NH2+]C)[N@@H+]1CC[C@H](C)[C@H](C)C1 132151888 573232825 /nfs/dbraw/zinc/23/28/25/573232825.db2.gz OKNUBJNHDHNKJR-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C[NH2+]C)[N@H+]1CC[C@H](C)[C@H](C)C1 132151888 573232832 /nfs/dbraw/zinc/23/28/32/573232832.db2.gz OKNUBJNHDHNKJR-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH2+]C[C@@H]([NH2+]C)c1cccc(C)c1 259385148 573233027 /nfs/dbraw/zinc/23/30/27/573233027.db2.gz MBTATFFAEQSKEK-GFCCVEGCSA-N 2 2 192.306 1.865 10 0 ADAELP CC(C)[C@@H](C[NH3+])c1[nH]cc[nH+]1 82842777 573233127 /nfs/dbraw/zinc/23/31/27/573233127.db2.gz GXFRXLANMZVONL-SSDOTTSWSA-N 2 2 153.229 1.108 10 0 ADAELP FCCCCn1c[nH+]cc1C1C[NH2+]C1 308526448 573235548 /nfs/dbraw/zinc/23/55/48/573235548.db2.gz PIEPPZPAMJWQDX-UHFFFAOYSA-N 2 2 197.257 1.320 10 0 ADAELP CC(C)OCn1cc[nH+]c1C[C@@H](C)[NH3+] 308528970 573237920 /nfs/dbraw/zinc/23/79/20/573237920.db2.gz KDPBIUAUJCBTCM-SECBINFHSA-N 2 2 197.282 1.155 10 0 ADAELP Cc1c(C2CC2)[nH+]c2n1CC[C@@H]([NH3+])C2 107311369 573238025 /nfs/dbraw/zinc/23/80/25/573238025.db2.gz DKUPFEJDLLSOIE-SECBINFHSA-N 2 2 191.278 1.342 10 0 ADAELP Cc1c[nH+]cc([C@H](C)CC[NH3+])c1 82851150 573238169 /nfs/dbraw/zinc/23/81/69/573238169.db2.gz MMFTZRHZJQPRGV-SECBINFHSA-N 2 2 164.252 1.842 10 0 ADAELP CC(C)OCC[N@H+](C)C(C)(C)C[NH3+] 50090709 573240003 /nfs/dbraw/zinc/24/00/03/573240003.db2.gz QVFFBBPNPQMIFI-UHFFFAOYSA-N 2 2 188.315 1.081 10 0 ADAELP CC(C)OCC[N@@H+](C)C(C)(C)C[NH3+] 50090709 573240012 /nfs/dbraw/zinc/24/00/12/573240012.db2.gz QVFFBBPNPQMIFI-UHFFFAOYSA-N 2 2 188.315 1.081 10 0 ADAELP CCC[NH2+][C@H](C)c1c[nH+]c(N(C)C)[nH]1 308521604 573241347 /nfs/dbraw/zinc/24/13/47/573241347.db2.gz HYELJMRKBJUHQD-MRVPVSSYSA-N 2 2 196.298 1.536 10 0 ADAELP CC[NH2+]CC/C=C\c1cn(CC)c[nH+]1 308522554 573245406 /nfs/dbraw/zinc/24/54/06/573245406.db2.gz IGGYFCRILWJLDO-ALCCZGGFSA-N 2 2 193.294 1.916 10 0 ADAELP C[NH2+][C@H](C=C(C)C)C[NH+](C)C 86059183 573245232 /nfs/dbraw/zinc/24/52/32/573245232.db2.gz WPETUTZAFCKYGB-SECBINFHSA-N 2 2 156.273 1.102 10 0 ADAELP CC[N@@H+](C1CC[NH2+]CC1)[C@H](C)C(C)=O 50157729 573246414 /nfs/dbraw/zinc/24/64/14/573246414.db2.gz RIGLLLJPLXYRKA-SECBINFHSA-N 2 2 198.310 1.038 10 0 ADAELP CC[N@H+](C1CC[NH2+]CC1)[C@H](C)C(C)=O 50157729 573246415 /nfs/dbraw/zinc/24/64/15/573246415.db2.gz RIGLLLJPLXYRKA-SECBINFHSA-N 2 2 198.310 1.038 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@@H]1C 308522680 573246432 /nfs/dbraw/zinc/24/64/32/573246432.db2.gz PMGFBRJNCKJJIV-SRVKXCTJSA-N 2 2 198.354 1.818 10 0 ADAELP Cc1ccc([C@@H](O)CC[NH3+])c(C)[nH+]1 82872760 573248221 /nfs/dbraw/zinc/24/82/21/573248221.db2.gz HTYLCYJHNHPQBF-JTQLQIEISA-N 2 2 180.251 1.081 10 0 ADAELP CC(C)[C@H](C[NH3+])CNc1cccc[nH+]1 259044894 573248455 /nfs/dbraw/zinc/24/84/55/573248455.db2.gz RQNCMBOPQLTKOA-SNVBAGLBSA-N 2 2 193.294 1.724 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@H]1C 308522683 573248556 /nfs/dbraw/zinc/24/85/56/573248556.db2.gz PMGFBRJNCKJJIV-UTUOFQBUSA-N 2 2 198.354 1.818 10 0 ADAELP Cc1[nH]cc([C@H]2CC[N@@H+](C)C2)[nH+]1 259049195 573248843 /nfs/dbraw/zinc/24/88/43/573248843.db2.gz IMNPXMNRAKXTON-QMMMGPOBSA-N 2 2 165.240 1.137 10 0 ADAELP Cc1[nH]cc([C@H]2CC[N@H+](C)C2)[nH+]1 259049195 573248845 /nfs/dbraw/zinc/24/88/45/573248845.db2.gz IMNPXMNRAKXTON-QMMMGPOBSA-N 2 2 165.240 1.137 10 0 ADAELP CC(C)[C@@H](C[NH3+])CNc1cccc[nH+]1 259044890 573248883 /nfs/dbraw/zinc/24/88/83/573248883.db2.gz RQNCMBOPQLTKOA-JTQLQIEISA-N 2 2 193.294 1.724 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H]1C[C@H]1C 308522685 573249019 /nfs/dbraw/zinc/24/90/19/573249019.db2.gz PMGFBRJNCKJJIV-WOPDTQHZSA-N 2 2 198.354 1.818 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1ccc(C)cc1C 259391981 573249841 /nfs/dbraw/zinc/24/98/41/573249841.db2.gz LKVFFRYPICZFLT-LBPRGKRZSA-N 2 2 192.306 1.783 10 0 ADAELP Cc1[nH]cc([C@@H]2CC[N@@H+](C)C2)[nH+]1 259049190 573250187 /nfs/dbraw/zinc/25/01/87/573250187.db2.gz IMNPXMNRAKXTON-MRVPVSSYSA-N 2 2 165.240 1.137 10 0 ADAELP Cc1cc(C)c([C@](C)([NH3+])C[NH3+])c(C)c1 259051541 573251122 /nfs/dbraw/zinc/25/11/22/573251122.db2.gz LPMBSVBDUIXUBJ-GFCCVEGCSA-N 2 2 192.306 1.744 10 0 ADAELP CC[C@H]1[NH2+]CC[C@@H]2CCCC[N@@H+]21 238317691 573252582 /nfs/dbraw/zinc/25/25/82/573252582.db2.gz GBUZYSJAMHHKGI-UWVGGRQHSA-N 2 2 168.284 1.570 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1ccc(C)cc1C 259391976 573252676 /nfs/dbraw/zinc/25/26/76/573252676.db2.gz LKVFFRYPICZFLT-GFCCVEGCSA-N 2 2 192.306 1.783 10 0 ADAELP Cc1ccc([C@@](C)([NH3+])C[NH3+])cc1 259052876 573253047 /nfs/dbraw/zinc/25/30/47/573253047.db2.gz LTEJOITYGPXLEA-JTQLQIEISA-N 2 2 164.252 1.128 10 0 ADAELP [NH3+]CCCc1[nH]cc(-c2ccc[nH]2)[nH+]1 259052778 573253507 /nfs/dbraw/zinc/25/35/07/573253507.db2.gz ITLQJDDQHISKTD-UHFFFAOYSA-N 2 2 190.250 1.296 10 0 ADAELP Cc1ccc([C@](C)([NH3+])C[NH3+])cc1 259052880 573254269 /nfs/dbraw/zinc/25/42/69/573254269.db2.gz LTEJOITYGPXLEA-SNVBAGLBSA-N 2 2 164.252 1.128 10 0 ADAELP CC(C)Cc1c[nH+]c(CC[C@H](C)[NH3+])[nH]1 259055142 573254398 /nfs/dbraw/zinc/25/43/98/573254398.db2.gz JEACDXJYHGUTDS-VIFPVBQESA-N 2 2 195.310 1.888 10 0 ADAELP CC(C)[C@@H]([NH+]1CCCC1)C1([NH3+])CC1 221319513 573254434 /nfs/dbraw/zinc/25/44/34/573254434.db2.gz QBQHGUHZLGXVMX-SNVBAGLBSA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@@]1(C[NH3+])CCc2ccccc21 238318818 573255108 /nfs/dbraw/zinc/25/51/08/573255108.db2.gz FMBJQQCAABRZSK-LLVKDONJSA-N 2 2 176.263 1.006 10 0 ADAELP C[NH2+][C@@H](c1ccncc1)C(C)(C)[NH2+]C 259394865 573255980 /nfs/dbraw/zinc/25/59/80/573255980.db2.gz MMDFROABVUISKM-JTQLQIEISA-N 2 2 193.294 1.340 10 0 ADAELP CC(C)[C@H]([NH+]1CCCC1)C1([NH3+])CC1 221319462 573255992 /nfs/dbraw/zinc/25/59/92/573255992.db2.gz QBQHGUHZLGXVMX-JTQLQIEISA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)C 308328691 573256497 /nfs/dbraw/zinc/25/64/97/573256497.db2.gz HLUPOCUKFRHFTB-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)C 308328691 573256501 /nfs/dbraw/zinc/25/65/01/573256501.db2.gz HLUPOCUKFRHFTB-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+]Cc1c[nH+]c(C[C@H](C)OC)[nH]1 129214333 573259747 /nfs/dbraw/zinc/25/97/47/573259747.db2.gz OSGLPTOHDCWEMB-QMMMGPOBSA-N 2 2 197.282 1.097 10 0 ADAELP C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C[NH3+] 238327008 573259428 /nfs/dbraw/zinc/25/94/28/573259428.db2.gz DQAXNIDNABUFSR-RYUDHWBXSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C[NH3+] 238327008 573259436 /nfs/dbraw/zinc/25/94/36/573259436.db2.gz DQAXNIDNABUFSR-RYUDHWBXSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 238326979 573259532 /nfs/dbraw/zinc/25/95/32/573259532.db2.gz OELQAELIZOKPPO-RYUDHWBXSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 238326979 573259538 /nfs/dbraw/zinc/25/95/38/573259538.db2.gz OELQAELIZOKPPO-RYUDHWBXSA-N 2 2 190.290 1.433 10 0 ADAELP CC(C)(C[NH3+])[NH2+]Cc1ccco1 259059709 573259619 /nfs/dbraw/zinc/25/96/19/573259619.db2.gz WKLMIAWLRFGTMR-UHFFFAOYSA-N 2 2 168.240 1.107 10 0 ADAELP c1c([C@@H]2CCC[NH2+]C2)[nH+]c2n1CCC2 82890406 573260346 /nfs/dbraw/zinc/26/03/46/573260346.db2.gz FURXXHQOJCATJI-SECBINFHSA-N 2 2 191.278 1.296 10 0 ADAELP C[NH2+]CCc1cc(OC)cc(C)[nH+]1 125995161 573260788 /nfs/dbraw/zinc/26/07/88/573260788.db2.gz UYQFXBNNZACVFN-UHFFFAOYSA-N 2 2 180.251 1.161 10 0 ADAELP CC[NH2+]CCc1cc(OC)cc(C)[nH+]1 125995396 573260831 /nfs/dbraw/zinc/26/08/31/573260831.db2.gz SPOHLWUBHHEBNT-UHFFFAOYSA-N 2 2 194.278 1.551 10 0 ADAELP [NH3+]CCCC[N@@H+]1CCCC(F)(F)C1 259398522 573261944 /nfs/dbraw/zinc/26/19/44/573261944.db2.gz HRMWCDJHESSRQM-UHFFFAOYSA-N 2 2 192.253 1.456 10 0 ADAELP [NH3+]CCCC[N@H+]1CCCC(F)(F)C1 259398522 573261951 /nfs/dbraw/zinc/26/19/51/573261951.db2.gz HRMWCDJHESSRQM-UHFFFAOYSA-N 2 2 192.253 1.456 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])[C@H]1CC1(C)C 236066106 573262206 /nfs/dbraw/zinc/26/22/06/573262206.db2.gz OMMJUNKVUJBBII-RKDXNWHRSA-N 2 2 193.294 1.336 10 0 ADAELP CC(C)c1c[nH]c(C(C)(C)C[NH3+])[nH+]1 259057362 573263465 /nfs/dbraw/zinc/26/34/65/573263465.db2.gz JHEJAZZZZRGSMY-UHFFFAOYSA-N 2 2 181.283 1.769 10 0 ADAELP Cn1cc[nH+]c1C[C@@H](F)[C@H]1CCC[NH2+]1 236065681 573265746 /nfs/dbraw/zinc/26/57/46/573265746.db2.gz YLXOPAHUDJQHTR-RKDXNWHRSA-N 2 2 197.257 1.053 10 0 ADAELP C[NH2+][C@H](C)c1c(C)cc(C)[nH+]c1N 238327693 573264445 /nfs/dbraw/zinc/26/44/45/573264445.db2.gz XRHCXVNFRWVDPA-MRVPVSSYSA-N 2 2 179.267 1.561 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])[C@@H]1CC1(C)C 236066007 573264863 /nfs/dbraw/zinc/26/48/63/573264863.db2.gz OMMJUNKVUJBBII-DTWKUNHWSA-N 2 2 193.294 1.336 10 0 ADAELP Cn1cc[nH+]c1C[C@@H](F)[C@@H]1CCC[NH2+]1 236065670 573265277 /nfs/dbraw/zinc/26/52/77/573265277.db2.gz YLXOPAHUDJQHTR-BDAKNGLRSA-N 2 2 197.257 1.053 10 0 ADAELP Cn1cc[nH+]c1C[C@H](F)[C@H]1CCC[NH2+]1 236070738 573268877 /nfs/dbraw/zinc/26/88/77/573268877.db2.gz YLXOPAHUDJQHTR-DTWKUNHWSA-N 2 2 197.257 1.053 10 0 ADAELP C[C@H](CCC[NH+](C)C)[NH+]1CC(F)C1 308338659 573268942 /nfs/dbraw/zinc/26/89/42/573268942.db2.gz PMLNZIIAKSGGCR-SECBINFHSA-N 2 2 188.290 1.370 10 0 ADAELP C[N@@H+]1CCCC[C@H]1c1ncc(C[NH3+])o1 258270919 573270129 /nfs/dbraw/zinc/27/01/29/573270129.db2.gz XVBVPQNMLWNUPT-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP C[N@H+]1CCCC[C@H]1c1ncc(C[NH3+])o1 258270919 573270132 /nfs/dbraw/zinc/27/01/32/573270132.db2.gz XVBVPQNMLWNUPT-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP CC[C@H](C[N@H+](CC)CC(C)C)[NH2+]C 50179238 573270482 /nfs/dbraw/zinc/27/04/82/573270482.db2.gz MZRYJDPZSXFWQK-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C[N@@H+](CC)CC(C)C)[NH2+]C 50179238 573270486 /nfs/dbraw/zinc/27/04/86/573270486.db2.gz MZRYJDPZSXFWQK-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP Cn1cc[nH+]c1C[C@H](F)[C@@H]1CCC[NH2+]1 236070714 573270539 /nfs/dbraw/zinc/27/05/39/573270539.db2.gz YLXOPAHUDJQHTR-IUCAKERBSA-N 2 2 197.257 1.053 10 0 ADAELP CNc1cc[nH+]c(Cn2cc[nH+]c2)c1 86134738 573270548 /nfs/dbraw/zinc/27/05/48/573270548.db2.gz VMBGHBNDWHJNST-UHFFFAOYSA-N 2 2 188.234 1.368 10 0 ADAELP C[C@@H]1CCCC[C@@H]1C[NH2+]CC[NH+](C)C 42862747 573270557 /nfs/dbraw/zinc/27/05/57/573270557.db2.gz MEJRLKKJUZJFCJ-VXGBXAGGSA-N 2 2 198.354 1.964 10 0 ADAELP C[NH2+]CC(C)(C)[NH2+]Cc1ccncc1 259063424 573272611 /nfs/dbraw/zinc/27/26/11/573272611.db2.gz WWOGTZQJUUTGDI-UHFFFAOYSA-N 2 2 193.294 1.169 10 0 ADAELP CNc1cc[nH+]c(C[NH+](C)C)c1 86134420 573272552 /nfs/dbraw/zinc/27/25/52/573272552.db2.gz SUCVQVUVLLWAES-UHFFFAOYSA-N 2 2 165.240 1.185 10 0 ADAELP C[NH+](C)[C@@H](c1ccncc1)C1([NH3+])CC1 259063085 573272732 /nfs/dbraw/zinc/27/27/32/573272732.db2.gz CVQAUFOSBQZVMZ-JTQLQIEISA-N 2 2 191.278 1.176 10 0 ADAELP CC[C@H](C[N@H+](CC)C1CC1)[NH2+]C 50179172 573274987 /nfs/dbraw/zinc/27/49/87/573274987.db2.gz CIPVKGQHJSOHHP-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C[N@@H+](CC)C1CC1)[NH2+]C 50179172 573274992 /nfs/dbraw/zinc/27/49/92/573274992.db2.gz CIPVKGQHJSOHHP-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H](C[NH3+])C[N@H+](C)Cc1cscn1 42860507 573275518 /nfs/dbraw/zinc/27/55/18/573275518.db2.gz XEFKZFFRGLLVJI-MRVPVSSYSA-N 2 2 199.323 1.170 10 0 ADAELP C[C@H](C[NH3+])C[N@@H+](C)Cc1cscn1 42860507 573275525 /nfs/dbraw/zinc/27/55/25/573275525.db2.gz XEFKZFFRGLLVJI-MRVPVSSYSA-N 2 2 199.323 1.170 10 0 ADAELP CCC[N@@H+]1C[C@H]([NH2+]C)CCC1(C)C 259399819 573278170 /nfs/dbraw/zinc/27/81/70/573278170.db2.gz MDMKZGHQWZYQSQ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1C[C@H]([NH2+]C)CCC1(C)C 259399819 573278174 /nfs/dbraw/zinc/27/81/74/573278174.db2.gz MDMKZGHQWZYQSQ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP Cn1cc[nH+]c1Cc1ccc(C[NH3+])o1 236075362 573278243 /nfs/dbraw/zinc/27/82/43/573278243.db2.gz IOCYAIYJLVOMPF-UHFFFAOYSA-N 2 2 191.234 1.063 10 0 ADAELP CCC[NH2+][C@@H](CCC)C[NH+](C)C 50184574 573278381 /nfs/dbraw/zinc/27/83/81/573278381.db2.gz CZNZGGWILBWCRH-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP CC(C)[C@]1(C[NH+](C)C)CCC[NH2+]1 258276000 573278405 /nfs/dbraw/zinc/27/84/05/573278405.db2.gz SFUQHGDGVNIGOG-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+]CCC(C)(C)c1cn(C)c[nH+]1 393580305 573278481 /nfs/dbraw/zinc/27/84/81/573278481.db2.gz FFQDQUIXEADVFF-UHFFFAOYSA-N 2 2 181.283 1.307 10 0 ADAELP CCC[C@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 308537913 573282237 /nfs/dbraw/zinc/28/22/37/573282237.db2.gz LUCJDLAJPSBFCS-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[C@H](C1CC1)[N@H+]1CCC[NH2+]CC1 308537913 573282243 /nfs/dbraw/zinc/28/22/43/573282243.db2.gz LUCJDLAJPSBFCS-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccccc1C 258278522 573285700 /nfs/dbraw/zinc/28/57/00/573285700.db2.gz VBKFQPPEDMBOQQ-SNVBAGLBSA-N 2 2 164.252 1.214 10 0 ADAELP C[NH2+][C@H](CCc1cn(C)c[nH+]1)C(C)C 308537966 573285701 /nfs/dbraw/zinc/28/57/01/573285701.db2.gz LVVPFYFIEHCWGG-LLVKDONJSA-N 2 2 195.310 1.597 10 0 ADAELP Cn1cccc1[C@H]1CC[C@H]([NH3+])C[N@@H+]1C 74247436 573286637 /nfs/dbraw/zinc/28/66/37/573286637.db2.gz DPPSLESKPBKIRV-GXSJLCMTSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1cccc1[C@H]1CC[C@H]([NH3+])C[N@H+]1C 74247436 573286643 /nfs/dbraw/zinc/28/66/43/573286643.db2.gz DPPSLESKPBKIRV-GXSJLCMTSA-N 2 2 193.294 1.119 10 0 ADAELP CC1(C)CCc2[nH]c(CC[NH3+])[nH+]c2C1 74247573 573286662 /nfs/dbraw/zinc/28/66/62/573286662.db2.gz ZQNDNYSCNUBGRA-UHFFFAOYSA-N 2 2 193.294 1.426 10 0 ADAELP CC1(C)CCc2[nH+]c(CC[NH3+])[nH]c2C1 74247573 573286665 /nfs/dbraw/zinc/28/66/65/573286665.db2.gz ZQNDNYSCNUBGRA-UHFFFAOYSA-N 2 2 193.294 1.426 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 129445086 573287173 /nfs/dbraw/zinc/28/71/73/573287173.db2.gz PRBKTVVNLYETHL-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 129445086 573287178 /nfs/dbraw/zinc/28/71/78/573287178.db2.gz PRBKTVVNLYETHL-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])C1CCCC1 74247572 573287919 /nfs/dbraw/zinc/28/79/19/573287919.db2.gz AVSKGZYDOWYXSG-SNVBAGLBSA-N 2 2 193.294 1.480 10 0 ADAELP CC(C)n1c(C[NH+](C)C)c[nH+]c1N 258279482 573288558 /nfs/dbraw/zinc/28/85/58/573288558.db2.gz TUGJREKIYMSVEP-UHFFFAOYSA-N 2 2 182.271 1.108 10 0 ADAELP Cn1cccc1[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1C 74247437 573288906 /nfs/dbraw/zinc/28/89/06/573288906.db2.gz DPPSLESKPBKIRV-KOLCDFICSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1cccc1[C@@H]1CC[C@@H]([NH3+])C[N@H+]1C 74247437 573288911 /nfs/dbraw/zinc/28/89/11/573288911.db2.gz DPPSLESKPBKIRV-KOLCDFICSA-N 2 2 193.294 1.119 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])C1CCCC1 74247571 573288960 /nfs/dbraw/zinc/28/89/60/573288960.db2.gz AVSKGZYDOWYXSG-JTQLQIEISA-N 2 2 193.294 1.480 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccccc1C 258278520 573289035 /nfs/dbraw/zinc/28/90/35/573289035.db2.gz VBKFQPPEDMBOQQ-JTQLQIEISA-N 2 2 164.252 1.214 10 0 ADAELP [NH3+]CCc1sccc1-c1[nH]cc[nH+]1 74247824 573290432 /nfs/dbraw/zinc/29/04/32/573290432.db2.gz LDRFVVNPFWKUTO-UHFFFAOYSA-N 2 2 193.275 1.639 10 0 ADAELP [NH3+]C[C@@H]([NH3+])CNc1ccc(Cl)cc1 259070383 573291154 /nfs/dbraw/zinc/29/11/54/573291154.db2.gz XHSUCAYRZODGKD-MRVPVSSYSA-N 2 2 199.685 1.038 10 0 ADAELP CC(C)[C@H]1C[N@H+](C)C2(CCCC2)C[NH2+]1 82936031 573292183 /nfs/dbraw/zinc/29/21/83/573292183.db2.gz MWTWMSHRUKEGPU-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H]1C[N@@H+](C)C2(CCCC2)C[NH2+]1 82936031 573292187 /nfs/dbraw/zinc/29/21/87/573292187.db2.gz MWTWMSHRUKEGPU-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(F)ccc1OC 258621681 573292224 /nfs/dbraw/zinc/29/22/24/573292224.db2.gz BMACTIVTBPMXPD-SECBINFHSA-N 2 2 198.241 1.054 10 0 ADAELP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C 82937049 573292226 /nfs/dbraw/zinc/29/22/26/573292226.db2.gz IFOYOJSEIYQFLP-WDEREUQCSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)C[N@H+]1C 82937049 573292231 /nfs/dbraw/zinc/29/22/31/573292231.db2.gz IFOYOJSEIYQFLP-WDEREUQCSA-N 2 2 198.354 1.961 10 0 ADAELP CCC(C)(C)[C@H]([NH3+])Cc1[nH+]ccn1C 132336044 573292441 /nfs/dbraw/zinc/29/24/41/573292441.db2.gz KDZBOZIKLOTOEN-SECBINFHSA-N 2 2 195.310 1.726 10 0 ADAELP CCC[C@@H](C[NH2+]C)[N@@H+]1CC[C@H](C)C1 213180207 573292480 /nfs/dbraw/zinc/29/24/80/573292480.db2.gz OOAZEARYBQMUBD-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[C@@H](C[NH2+]C)[N@H+]1CC[C@H](C)C1 213180207 573292486 /nfs/dbraw/zinc/29/24/86/573292486.db2.gz OOAZEARYBQMUBD-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[C@@H]([NH3+])Cc1[nH+]ccn1C 132332866 573292916 /nfs/dbraw/zinc/29/29/16/573292916.db2.gz QTHJMRRACFTRJM-VHSXEESVSA-N 2 2 195.310 1.726 10 0 ADAELP CC(C)[C@@H](C)[C@H]([NH3+])Cc1[nH+]ccn1C 132343982 573293081 /nfs/dbraw/zinc/29/30/81/573293081.db2.gz MUEHFLSJBXKEBP-NXEZZACHSA-N 2 2 195.310 1.582 10 0 ADAELP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1C 82937047 573293242 /nfs/dbraw/zinc/29/32/42/573293242.db2.gz IFOYOJSEIYQFLP-QWRGUYRKSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1C 82937047 573293247 /nfs/dbraw/zinc/29/32/47/573293247.db2.gz IFOYOJSEIYQFLP-QWRGUYRKSA-N 2 2 198.354 1.961 10 0 ADAELP CCc1c[nH+]c([C@H](C)CC[NH3+])[nH]1 259072464 573293297 /nfs/dbraw/zinc/29/32/97/573293297.db2.gz KXBYXLNAQXKLSI-SSDOTTSWSA-N 2 2 167.256 1.424 10 0 ADAELP Cc1cccc(NC[C@H]([NH3+])C[NH3+])c1C 259070558 573293345 /nfs/dbraw/zinc/29/33/45/573293345.db2.gz XJFIJCPCXGFLEB-SNVBAGLBSA-N 2 2 193.294 1.001 10 0 ADAELP CC(C)[C@@H]1C[N@H+](C)C2(CCCC2)C[NH2+]1 82936030 573293351 /nfs/dbraw/zinc/29/33/51/573293351.db2.gz MWTWMSHRUKEGPU-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H]1C[N@@H+](C)C2(CCCC2)C[NH2+]1 82936030 573293354 /nfs/dbraw/zinc/29/33/54/573293354.db2.gz MWTWMSHRUKEGPU-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C1CC1)[C@@H]([NH3+])Cc1[nH+]ccn1C 132337872 573293501 /nfs/dbraw/zinc/29/35/01/573293501.db2.gz AXHBSBQSXZBGGM-SCZZXKLOSA-N 2 2 193.294 1.336 10 0 ADAELP C[NH2+][C@@H](C)c1ccn2cc[nH+]c2c1 238340461 573295016 /nfs/dbraw/zinc/29/50/16/573295016.db2.gz NOPLVFMIJDVVIV-QMMMGPOBSA-N 2 2 175.235 1.615 10 0 ADAELP Cc1ccc(NC[C@H]([NH3+])C[NH3+])c(C)c1 259073405 573295420 /nfs/dbraw/zinc/29/54/20/573295420.db2.gz XLCMNYHKBGVQGM-SNVBAGLBSA-N 2 2 193.294 1.001 10 0 ADAELP Cc1ccc(NC[C@@H]([NH3+])C[NH3+])c(C)c1 259073404 573295216 /nfs/dbraw/zinc/29/52/16/573295216.db2.gz XLCMNYHKBGVQGM-JTQLQIEISA-N 2 2 193.294 1.001 10 0 ADAELP CC(C)[C@@H]1C[N@@H+](C)[C@@](C)(C2CC2)C[NH2+]1 82936044 573296905 /nfs/dbraw/zinc/29/69/05/573296905.db2.gz KRCJTEISJSZDGI-NWDGAFQWSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@H](C)[C@H]([NH3+])Cc1[nH+]ccn1C 132344143 573296221 /nfs/dbraw/zinc/29/62/21/573296221.db2.gz MUEHFLSJBXKEBP-VHSXEESVSA-N 2 2 195.310 1.582 10 0 ADAELP CC(C)[C@@H]1C[N@H+](C)[C@@](C)(C2CC2)C[NH2+]1 82936044 573296900 /nfs/dbraw/zinc/29/69/00/573296900.db2.gz KRCJTEISJSZDGI-NWDGAFQWSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(C)c(C)c1C 259406908 573297112 /nfs/dbraw/zinc/29/71/12/573297112.db2.gz OINXJKHCEDXXTL-LBPRGKRZSA-N 2 2 192.306 1.831 10 0 ADAELP C[NH2+][C@H](c1ccc(C)o1)C(C)(C)[NH3+] 259408880 573297275 /nfs/dbraw/zinc/29/72/75/573297275.db2.gz MCHAROBFJVDOJG-SECBINFHSA-N 2 2 182.267 1.586 10 0 ADAELP C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C[NH3+] 238335738 573299789 /nfs/dbraw/zinc/29/97/89/573299789.db2.gz DQAXNIDNABUFSR-NEPJUHHUSA-N 2 2 190.290 1.433 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CCCC2(CC2)C1 308540897 573301646 /nfs/dbraw/zinc/30/16/46/573301646.db2.gz UOPMBDSORYPNFU-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 82939132 573300646 /nfs/dbraw/zinc/30/06/46/573300646.db2.gz PPQISRGUOQJPOH-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP C[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 82939132 573300650 /nfs/dbraw/zinc/30/06/50/573300650.db2.gz PPQISRGUOQJPOH-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP CC(C)[C@@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82941063 573300560 /nfs/dbraw/zinc/30/05/60/573300560.db2.gz QHDUUWHLDFNVSR-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82941063 573300565 /nfs/dbraw/zinc/30/05/65/573300565.db2.gz QHDUUWHLDFNVSR-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CCCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 50890844 573299501 /nfs/dbraw/zinc/29/95/01/573299501.db2.gz LTZRZXINQHZRIT-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C[NH3+] 238335738 573299784 /nfs/dbraw/zinc/29/97/84/573299784.db2.gz DQAXNIDNABUFSR-NEPJUHHUSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 238335719 573299827 /nfs/dbraw/zinc/29/98/27/573299827.db2.gz OELQAELIZOKPPO-NEPJUHHUSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@H+]1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 238335719 573299830 /nfs/dbraw/zinc/29/98/30/573299830.db2.gz OELQAELIZOKPPO-NEPJUHHUSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 82938053 573300252 /nfs/dbraw/zinc/30/02/52/573300252.db2.gz ZMGHFDMRWUXSAJ-LLVKDONJSA-N 2 2 194.322 1.613 10 0 ADAELP C[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 82938053 573300257 /nfs/dbraw/zinc/30/02/57/573300257.db2.gz ZMGHFDMRWUXSAJ-LLVKDONJSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 223658736 573302108 /nfs/dbraw/zinc/30/21/08/573302108.db2.gz IJIYFVIQPNAADZ-SRVKXCTJSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C 82938033 573300512 /nfs/dbraw/zinc/30/05/12/573300512.db2.gz XPINBXFUQLEETL-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C 82938033 573300515 /nfs/dbraw/zinc/30/05/15/573300515.db2.gz XPINBXFUQLEETL-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH3+])[N@H+]1CCC[C@@H]2CCCC[C@@H]21 223658736 573302116 /nfs/dbraw/zinc/30/21/16/573302116.db2.gz IJIYFVIQPNAADZ-SRVKXCTJSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1ccc(C)c([C@@H]([NH3+])C2([NH3+])CC2)c1 259409016 573301371 /nfs/dbraw/zinc/30/13/71/573301371.db2.gz MDAAQHNBHCNYHN-LLVKDONJSA-N 2 2 190.290 1.795 10 0 ADAELP CC(C)[C@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82941065 573301372 /nfs/dbraw/zinc/30/13/72/573301372.db2.gz QHDUUWHLDFNVSR-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82941065 573301378 /nfs/dbraw/zinc/30/13/78/573301378.db2.gz QHDUUWHLDFNVSR-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CCCC2(CC2)C1 308540897 573301649 /nfs/dbraw/zinc/30/16/49/573301649.db2.gz UOPMBDSORYPNFU-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]([NH3+])C(C)(C)[NH+]1CCCCC1 74282328 573301655 /nfs/dbraw/zinc/30/16/55/573301655.db2.gz KRGDMKWNKSADDT-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP C[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 82939131 573303626 /nfs/dbraw/zinc/30/36/26/573303626.db2.gz PPQISRGUOQJPOH-LLVKDONJSA-N 2 2 194.322 1.613 10 0 ADAELP C[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 82939131 573303631 /nfs/dbraw/zinc/30/36/31/573303631.db2.gz PPQISRGUOQJPOH-LLVKDONJSA-N 2 2 194.322 1.613 10 0 ADAELP CCc1c[nH+]c(CC[C@H](C)[NH3+])[nH]1 259079037 573303733 /nfs/dbraw/zinc/30/37/33/573303733.db2.gz LLJZAMFHHGHQHR-ZETCQYMHSA-N 2 2 167.256 1.252 10 0 ADAELP C[C@H]1C[N@H+](CC2CCCC2)CCC[NH2+]1 82941273 573303802 /nfs/dbraw/zinc/30/38/02/573303802.db2.gz SBQVKWNVIUOQLU-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[N@@H+](CC2CCCC2)CCC[NH2+]1 82941273 573303807 /nfs/dbraw/zinc/30/38/07/573303807.db2.gz SBQVKWNVIUOQLU-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[N@H+](CC2CCCC2)CCC[NH2+]1 82941272 573303908 /nfs/dbraw/zinc/30/39/08/573303908.db2.gz SBQVKWNVIUOQLU-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[N@@H+](CC2CCCC2)CCC[NH2+]1 82941272 573303914 /nfs/dbraw/zinc/30/39/14/573303914.db2.gz SBQVKWNVIUOQLU-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C 82938034 573304094 /nfs/dbraw/zinc/30/40/94/573304094.db2.gz XPINBXFUQLEETL-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C 82938034 573304098 /nfs/dbraw/zinc/30/40/98/573304098.db2.gz XPINBXFUQLEETL-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@H](C)C[NH3+])o1 259408900 573305730 /nfs/dbraw/zinc/30/57/30/573305730.db2.gz OKNJQZCIZUEBHO-HZGVNTEJSA-N 2 2 168.240 1.183 10 0 ADAELP CCc1c[nH+]c(C[C@H](C)C[NH3+])[nH]1 259076934 573305411 /nfs/dbraw/zinc/30/54/11/573305411.db2.gz LHSUOXPYOTWRLZ-ZETCQYMHSA-N 2 2 167.256 1.109 10 0 ADAELP CC[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943479 573306927 /nfs/dbraw/zinc/30/69/27/573306927.db2.gz HZDCSHZQWAZFIM-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@H](C)C[NH3+])o1 259408906 573306928 /nfs/dbraw/zinc/30/69/28/573306928.db2.gz OKNJQZCIZUEBHO-MUWHJKNJSA-N 2 2 168.240 1.183 10 0 ADAELP CC[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943479 573306931 /nfs/dbraw/zinc/30/69/31/573306931.db2.gz HZDCSHZQWAZFIM-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82942969 573307017 /nfs/dbraw/zinc/30/70/17/573307017.db2.gz NNGFZZPYSYALJS-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82942969 573307023 /nfs/dbraw/zinc/30/70/23/573307023.db2.gz NNGFZZPYSYALJS-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1CC1CC1 82942976 573307040 /nfs/dbraw/zinc/30/70/40/573307040.db2.gz WXWQPXFSBXKOEA-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1CC1CC1 82942976 573307045 /nfs/dbraw/zinc/30/70/45/573307045.db2.gz WXWQPXFSBXKOEA-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 82942450 573307183 /nfs/dbraw/zinc/30/71/83/573307183.db2.gz FQHZAHBWNSGJFZ-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 82942450 573307191 /nfs/dbraw/zinc/30/71/91/573307191.db2.gz FQHZAHBWNSGJFZ-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CCc1c[nH+]c(C[C@@H](C)C[NH3+])[nH]1 259076929 573307983 /nfs/dbraw/zinc/30/79/83/573307983.db2.gz LHSUOXPYOTWRLZ-SSDOTTSWSA-N 2 2 167.256 1.109 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@@H+]1CC1CC1 82942838 573307215 /nfs/dbraw/zinc/30/72/15/573307215.db2.gz DUVOAXWGFIOILK-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@H+]1CC1CC1 82942838 573307217 /nfs/dbraw/zinc/30/72/17/573307217.db2.gz DUVOAXWGFIOILK-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)(C)c1[nH]c(C(C)(C)[NH3+])c[nH+]1 74301466 573307249 /nfs/dbraw/zinc/30/72/49/573307249.db2.gz FWJHPFHBEJNIHH-UHFFFAOYSA-N 2 2 181.283 1.901 10 0 ADAELP CC(C)[N@@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 82942987 573307322 /nfs/dbraw/zinc/30/73/22/573307322.db2.gz CLCOMSXOINRFCB-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[N@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 82942987 573307327 /nfs/dbraw/zinc/30/73/27/573307327.db2.gz CLCOMSXOINRFCB-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP [NH3+]C[C@@]1(c2cccc(Cl)c2)CC[NH2+]1 258255460 573307580 /nfs/dbraw/zinc/30/75/80/573307580.db2.gz QHQCANMMKMLTFF-SNVBAGLBSA-N 2 2 196.681 1.487 10 0 ADAELP CC[C@@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82941832 573307630 /nfs/dbraw/zinc/30/76/30/573307630.db2.gz TWKZUFVOKJVABC-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82941832 573307638 /nfs/dbraw/zinc/30/76/38/573307638.db2.gz TWKZUFVOKJVABC-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H]1C[N@@H+](CC2CC2)[C@H](C)CC[NH2+]1 82943343 573307699 /nfs/dbraw/zinc/30/76/99/573307699.db2.gz RHZAFDHNIDFJRJ-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@](C)(CC)C1 82942134 573307729 /nfs/dbraw/zinc/30/77/29/573307729.db2.gz WFNYNVARGIDPHX-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@](C)(CC)C1 82942134 573307734 /nfs/dbraw/zinc/30/77/34/573307734.db2.gz WFNYNVARGIDPHX-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CC[N@@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 82942967 573307756 /nfs/dbraw/zinc/30/77/56/573307756.db2.gz NNGFZZPYSYALJS-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@H+]1CC(C)(C)[NH2+]CC[C@@H]1C 82942967 573307763 /nfs/dbraw/zinc/30/77/63/573307763.db2.gz NNGFZZPYSYALJS-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1C[N@H+](CC2CC2)[C@H](C)CC[NH2+]1 82942457 573308596 /nfs/dbraw/zinc/30/85/96/573308596.db2.gz UASGOTFTGGPNHP-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](CC2CC2)[C@H](C)CC[NH2+]1 82942457 573308599 /nfs/dbraw/zinc/30/85/99/573308599.db2.gz UASGOTFTGGPNHP-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP CC1(C)C[N@H+](CC2CC2)CCC[NH2+]1 82941475 573309744 /nfs/dbraw/zinc/30/97/44/573309744.db2.gz GJJCAZRTJBSAKV-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC1(C)C[N@@H+](CC2CC2)CCC[NH2+]1 82941475 573309748 /nfs/dbraw/zinc/30/97/48/573309748.db2.gz GJJCAZRTJBSAKV-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H]1C[N@H+](CC)[C@H](C)CC[NH2+]1 82943338 573309007 /nfs/dbraw/zinc/30/90/07/573309007.db2.gz YKKCHLBTZBSILA-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H]1C[N@@H+](CC)[C@H](C)CC[NH2+]1 82943338 573309011 /nfs/dbraw/zinc/30/90/11/573309011.db2.gz YKKCHLBTZBSILA-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 82942025 573309126 /nfs/dbraw/zinc/30/91/26/573309126.db2.gz HIQOLPFCJAXJHW-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 82942025 573309135 /nfs/dbraw/zinc/30/91/35/573309135.db2.gz HIQOLPFCJAXJHW-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942446 573309207 /nfs/dbraw/zinc/30/92/07/573309207.db2.gz HVLNILYYCXKTLX-IUCAKERBSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942446 573309214 /nfs/dbraw/zinc/30/92/14/573309214.db2.gz HVLNILYYCXKTLX-IUCAKERBSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@@H]1C[N@H+](C(C)C)[C@H](C)CC[NH2+]1 82943352 573309249 /nfs/dbraw/zinc/30/92/49/573309249.db2.gz GQJCSFUVAPUUQP-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H]1C[N@@H+](C(C)C)[C@H](C)CC[NH2+]1 82943352 573309257 /nfs/dbraw/zinc/30/92/57/573309257.db2.gz GQJCSFUVAPUUQP-GHMZBOCLSA-N 2 2 184.327 1.857 10 0 ADAELP [NH3+]C[C@@]1(c2ccc(Cl)cc2)CC[NH2+]1 257999702 573309287 /nfs/dbraw/zinc/30/92/87/573309287.db2.gz DYJYVRRFAJNFRX-SNVBAGLBSA-N 2 2 196.681 1.487 10 0 ADAELP CC[C@@H]1C[N@@H+](C(C)C)CCC[NH2+]1 82941856 573309290 /nfs/dbraw/zinc/30/92/90/573309290.db2.gz XNSUSPMSXPMSAK-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H]1C[N@H+](C(C)C)CCC[NH2+]1 82941856 573309294 /nfs/dbraw/zinc/30/92/94/573309294.db2.gz XNSUSPMSXPMSAK-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943526 573309398 /nfs/dbraw/zinc/30/93/98/573309398.db2.gz LMPCKCYSLZMYBA-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943526 573309405 /nfs/dbraw/zinc/30/94/05/573309405.db2.gz LMPCKCYSLZMYBA-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942452 573309428 /nfs/dbraw/zinc/30/94/28/573309428.db2.gz FQHZAHBWNSGJFZ-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)(C)c1cn2c([nH+]1)C[C@H]([NH3+])C2 74304649 573309431 /nfs/dbraw/zinc/30/94/31/573309431.db2.gz CPIHDFJEOTYZMS-ZETCQYMHSA-N 2 2 179.267 1.064 10 0 ADAELP CC(C)C[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942452 573309433 /nfs/dbraw/zinc/30/94/33/573309433.db2.gz FQHZAHBWNSGJFZ-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 82941708 573309457 /nfs/dbraw/zinc/30/94/57/573309457.db2.gz AZTPYTRWSFFQNR-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 82941708 573309460 /nfs/dbraw/zinc/30/94/60/573309460.db2.gz AZTPYTRWSFFQNR-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP [NH3+]C[C@]1(c2ccc(Cl)cc2)CC[NH2+]1 257999700 573309478 /nfs/dbraw/zinc/30/94/78/573309478.db2.gz DYJYVRRFAJNFRX-JTQLQIEISA-N 2 2 196.681 1.487 10 0 ADAELP CC(C)(C)OC[C@H]([NH3+])C[NH+]1CC=CC1 308545395 573309711 /nfs/dbraw/zinc/30/97/11/573309711.db2.gz NXHFSUZYFMELKH-SNVBAGLBSA-N 2 2 198.310 1.001 10 0 ADAELP C[C@H]1C[N@@H+](CC2CC2)[C@@H](C)CC[NH2+]1 82942464 573311660 /nfs/dbraw/zinc/31/16/60/573311660.db2.gz UASGOTFTGGPNHP-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1C 82943024 573310397 /nfs/dbraw/zinc/31/03/97/573310397.db2.gz QBEPUMVDNLDTGP-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1C 82943024 573310399 /nfs/dbraw/zinc/31/03/99/573310399.db2.gz QBEPUMVDNLDTGP-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@@H+]1CC1CCCC1 82942843 573311562 /nfs/dbraw/zinc/31/15/62/573311562.db2.gz KEOXVENZGBBTGU-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 82942028 573310469 /nfs/dbraw/zinc/31/04/69/573310469.db2.gz HIQOLPFCJAXJHW-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 82942028 573310474 /nfs/dbraw/zinc/31/04/74/573310474.db2.gz HIQOLPFCJAXJHW-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942560 573310535 /nfs/dbraw/zinc/31/05/35/573310535.db2.gz WNFAGBKHNATBQP-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942560 573310539 /nfs/dbraw/zinc/31/05/39/573310539.db2.gz WNFAGBKHNATBQP-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1CC1CC1 82942975 573310594 /nfs/dbraw/zinc/31/05/94/573310594.db2.gz WXWQPXFSBXKOEA-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1CC1CC1 82942975 573310595 /nfs/dbraw/zinc/31/05/95/573310595.db2.gz WXWQPXFSBXKOEA-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@H+]1CC1CCCC1 82942843 573311569 /nfs/dbraw/zinc/31/15/69/573311569.db2.gz KEOXVENZGBBTGU-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](C)C[N@@H+]1CC[NH2+]CC[C@@H]1C 82942898 573310853 /nfs/dbraw/zinc/31/08/53/573310853.db2.gz ZAASSNUODYSCGB-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[N@H+]1CC[NH2+]CC[C@@H]1C 82942898 573310859 /nfs/dbraw/zinc/31/08/59/573310859.db2.gz ZAASSNUODYSCGB-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[NH2+]CC[C@@H]1C 82942900 573310972 /nfs/dbraw/zinc/31/09/72/573310972.db2.gz ZAASSNUODYSCGB-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[NH2+]CC[C@@H]1C 82942900 573310978 /nfs/dbraw/zinc/31/09/78/573310978.db2.gz ZAASSNUODYSCGB-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H]1C[N@@H+](C(C)C)CCC[NH2+]1 82941858 573311060 /nfs/dbraw/zinc/31/10/60/573311060.db2.gz XNSUSPMSXPMSAK-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H]1C[N@H+](C(C)C)CCC[NH2+]1 82941858 573311065 /nfs/dbraw/zinc/31/10/65/573311065.db2.gz XNSUSPMSXPMSAK-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP C[N@@H+]1CCC[NH2+][C@@H](CC(F)(F)F)C1 238345003 573311083 /nfs/dbraw/zinc/31/10/83/573311083.db2.gz YHOWLKRGTWSZHH-ZETCQYMHSA-N 2 2 196.216 1.233 10 0 ADAELP C[N@H+]1CCC[NH2+][C@@H](CC(F)(F)F)C1 238345003 573311089 /nfs/dbraw/zinc/31/10/89/573311089.db2.gz YHOWLKRGTWSZHH-ZETCQYMHSA-N 2 2 196.216 1.233 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@H](CC)C1 82941884 573311129 /nfs/dbraw/zinc/31/11/29/573311129.db2.gz GUHFGDMUDMDFIL-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@H](CC)C1 82941884 573311136 /nfs/dbraw/zinc/31/11/36/573311136.db2.gz GUHFGDMUDMDFIL-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC[C@H]1C[N@H+](CC(C)C)CCC[NH2+]1 82941831 573311202 /nfs/dbraw/zinc/31/12/02/573311202.db2.gz LSCSHAMYSASCBK-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H]1C[N@@H+](CC(C)C)CCC[NH2+]1 82941831 573311208 /nfs/dbraw/zinc/31/12/08/573311208.db2.gz LSCSHAMYSASCBK-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@]1(C)C[N@@H+](C(C)C)CCC[NH2+]1 82942112 573311261 /nfs/dbraw/zinc/31/12/61/573311261.db2.gz LTTNOYPIDLRAAA-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@]1(C)C[N@H+](C(C)C)CCC[NH2+]1 82942112 573311265 /nfs/dbraw/zinc/31/12/65/573311265.db2.gz LTTNOYPIDLRAAA-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+]1C[C@@H](CC)[NH2+]CC[C@@H]1C 82943371 573311296 /nfs/dbraw/zinc/31/12/96/573311296.db2.gz YUNDMVSUXZCMJE-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1C[C@@H](CC)[NH2+]CC[C@@H]1C 82943371 573311302 /nfs/dbraw/zinc/31/13/02/573311302.db2.gz YUNDMVSUXZCMJE-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCSCC[N@H+](CC[NH3+])C(C)C 129342495 573311376 /nfs/dbraw/zinc/31/13/76/573311376.db2.gz OMIXKQNASMVXDS-UHFFFAOYSA-N 2 2 190.356 1.409 10 0 ADAELP CCSCC[N@@H+](CC[NH3+])C(C)C 129342495 573311381 /nfs/dbraw/zinc/31/13/81/573311381.db2.gz OMIXKQNASMVXDS-UHFFFAOYSA-N 2 2 190.356 1.409 10 0 ADAELP CC(C)[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@H]1C 82943511 573311480 /nfs/dbraw/zinc/31/14/80/573311480.db2.gz LRJXKPBSCWTSRE-ZYHUDNBSSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@H]1C 82943511 573311486 /nfs/dbraw/zinc/31/14/86/573311486.db2.gz LRJXKPBSCWTSRE-ZYHUDNBSSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[N@H+](CC2CC2)[C@@H](C)CC[NH2+]1 82942464 573311653 /nfs/dbraw/zinc/31/16/53/573311653.db2.gz UASGOTFTGGPNHP-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1C[C@](C)(CC)[NH2+]CC[C@H]1C 82943590 573312585 /nfs/dbraw/zinc/31/25/85/573312585.db2.gz WSAOFNYXRCFXME-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+]1C[C@](C)(CC)[NH2+]CC[C@H]1C 82943590 573312589 /nfs/dbraw/zinc/31/25/89/573312589.db2.gz WSAOFNYXRCFXME-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82941834 573312672 /nfs/dbraw/zinc/31/26/72/573312672.db2.gz TWKZUFVOKJVABC-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943482 573312623 /nfs/dbraw/zinc/31/26/23/573312623.db2.gz HZDCSHZQWAZFIM-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943482 573312630 /nfs/dbraw/zinc/31/26/30/573312630.db2.gz HZDCSHZQWAZFIM-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H](c1ccccn1)C(C)(C)[NH2+]C 259415502 573313972 /nfs/dbraw/zinc/31/39/72/573313972.db2.gz NGSCWDAQUTWOTJ-JTQLQIEISA-N 2 2 193.294 1.340 10 0 ADAELP C1C[NH2+][C@H](C2CC2)C[N@H+](CC2CC2)C1 82942029 573313973 /nfs/dbraw/zinc/31/39/73/573313973.db2.gz NBWTZFXRDXYMJR-LBPRGKRZSA-N 2 2 194.322 1.470 10 0 ADAELP C1C[NH2+][C@H](C2CC2)C[N@@H+](CC2CC2)C1 82942029 573313977 /nfs/dbraw/zinc/31/39/77/573313977.db2.gz NBWTZFXRDXYMJR-LBPRGKRZSA-N 2 2 194.322 1.470 10 0 ADAELP CC(C)[N@@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82942985 573315197 /nfs/dbraw/zinc/31/51/97/573315197.db2.gz CLCOMSXOINRFCB-SNVBAGLBSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[N@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82942985 573315201 /nfs/dbraw/zinc/31/52/01/573315201.db2.gz CLCOMSXOINRFCB-SNVBAGLBSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]([NH3+])[C@](C)([NH3+])c1ccccc1 117001161 573315454 /nfs/dbraw/zinc/31/54/54/573315454.db2.gz KQQQSVCIYVATTK-WPRPVWTQSA-N 2 2 164.252 1.208 10 0 ADAELP C[C@H]([NH3+])[C@@](C)([NH3+])c1ccccc1 117001156 573315470 /nfs/dbraw/zinc/31/54/70/573315470.db2.gz KQQQSVCIYVATTK-WCBMZHEXSA-N 2 2 164.252 1.208 10 0 ADAELP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 132498386 573315489 /nfs/dbraw/zinc/31/54/89/573315489.db2.gz COFRJOIXPSQHIX-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 132498386 573315493 /nfs/dbraw/zinc/31/54/93/573315493.db2.gz COFRJOIXPSQHIX-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@H](c1ccccn1)C(C)(C)[NH2+]C 259415504 573315525 /nfs/dbraw/zinc/31/55/25/573315525.db2.gz NGSCWDAQUTWOTJ-SNVBAGLBSA-N 2 2 193.294 1.340 10 0 ADAELP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 132498614 573315607 /nfs/dbraw/zinc/31/56/07/573315607.db2.gz COFRJOIXPSQHIX-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 132498614 573315613 /nfs/dbraw/zinc/31/56/13/573315613.db2.gz COFRJOIXPSQHIX-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[NH2+]C2CC2)s1 258255757 573315807 /nfs/dbraw/zinc/31/58/07/573315807.db2.gz SZIKNXSEFDUYDV-VIFPVBQESA-N 2 2 196.319 1.808 10 0 ADAELP [NH3+]CC[C@H]1CCc2ccc[nH+]c2C1 74307814 573315867 /nfs/dbraw/zinc/31/58/67/573315867.db2.gz QASNRKHAFZICJE-SECBINFHSA-N 2 2 176.263 1.535 10 0 ADAELP C/C(=C/c1c[nH+]cn1C(C)C)C[NH3+] 86213735 573315905 /nfs/dbraw/zinc/31/59/05/573315905.db2.gz ROXYQGOLIAZSHZ-WTKPLQERSA-N 2 2 179.267 1.826 10 0 ADAELP [NH3+]CC[C@@H]1CCc2ccc[nH+]c2C1 74307812 573316189 /nfs/dbraw/zinc/31/61/89/573316189.db2.gz QASNRKHAFZICJE-VIFPVBQESA-N 2 2 176.263 1.535 10 0 ADAELP C[C@@H](CC[NH3+])c1ccc(N(C)C)[nH+]c1 308551591 573316350 /nfs/dbraw/zinc/31/63/50/573316350.db2.gz QIQHXRTXHIKVCK-VIFPVBQESA-N 2 2 193.294 1.600 10 0 ADAELP CCn1c[nH+]cc1/C=C(/C)C[NH3+] 86214030 573316384 /nfs/dbraw/zinc/31/63/84/573316384.db2.gz WNZLFSTYVPDJAE-YWEYNIOJSA-N 2 2 165.240 1.265 10 0 ADAELP C[C@@H]([NH3+])[C@](C)([NH3+])c1ccccc1 117001159 573316528 /nfs/dbraw/zinc/31/65/28/573316528.db2.gz KQQQSVCIYVATTK-SCZZXKLOSA-N 2 2 164.252 1.208 10 0 ADAELP C[C@H]([NH3+])C(C)(C)[NH+]1CCCCC1 74310708 573316599 /nfs/dbraw/zinc/31/65/99/573316599.db2.gz XWGZTKIETJMEBD-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[NH2+]C2CC2)s1 258255754 573317018 /nfs/dbraw/zinc/31/70/18/573317018.db2.gz SZIKNXSEFDUYDV-SECBINFHSA-N 2 2 196.319 1.808 10 0 ADAELP CC/C(=C\c1c[nH+]cn1C)C[NH3+] 86213378 573317129 /nfs/dbraw/zinc/31/71/29/573317129.db2.gz LFMAEPAHHIZZPX-XBXARRHUSA-N 2 2 165.240 1.172 10 0 ADAELP CC[C@H]([NH3+])c1c[nH]c2cc[nH+]cc12 74308509 573317175 /nfs/dbraw/zinc/31/71/75/573317175.db2.gz VUMLKQJYQWSGQK-VIFPVBQESA-N 2 2 175.235 1.973 10 0 ADAELP CC[C@@H]([NH3+])c1c[nH]c2cc[nH+]cc12 74308510 573317732 /nfs/dbraw/zinc/31/77/32/573317732.db2.gz VUMLKQJYQWSGQK-SECBINFHSA-N 2 2 175.235 1.973 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1ccccc1C 259415985 573318064 /nfs/dbraw/zinc/31/80/64/573318064.db2.gz MNFLXJXYLGOZTH-LLVKDONJSA-N 2 2 178.279 1.475 10 0 ADAELP C[NH+](C)[C@@]1(Cc2ccco2)CC[NH2+]C1 258492079 573318065 /nfs/dbraw/zinc/31/80/65/573318065.db2.gz BFDWAEQXBVPTOX-LLVKDONJSA-N 2 2 194.278 1.116 10 0 ADAELP C[C@H](CC[NH3+])c1ccc(N(C)C)[nH+]c1 308551588 573318088 /nfs/dbraw/zinc/31/80/88/573318088.db2.gz QIQHXRTXHIKVCK-SECBINFHSA-N 2 2 193.294 1.600 10 0 ADAELP CCC(C)(C)c1c[nH+]c(CCC[NH3+])[nH]1 308551646 573319027 /nfs/dbraw/zinc/31/90/27/573319027.db2.gz SECVVAVYVADULF-UHFFFAOYSA-N 2 2 195.310 1.989 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH3+])[C@H]1c1ccccc1 238351179 573319054 /nfs/dbraw/zinc/31/90/54/573319054.db2.gz WRBGYJZVJVSZCB-NWDGAFQWSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+]1CCC[C@H]([NH3+])[C@H]1c1ccccc1 238351179 573319057 /nfs/dbraw/zinc/31/90/57/573319057.db2.gz WRBGYJZVJVSZCB-NWDGAFQWSA-N 2 2 190.290 1.781 10 0 ADAELP C/C(=C\c1c[nH+]cn1C1CC1)C[NH3+] 86214084 573319323 /nfs/dbraw/zinc/31/93/23/573319323.db2.gz KECZWSWIRQWRDU-XBXARRHUSA-N 2 2 177.251 1.580 10 0 ADAELP C[N@@H+]1CCC[C@@]1(C[NH3+])c1ccco1 258628518 573319625 /nfs/dbraw/zinc/31/96/25/573319625.db2.gz JNQADJTVQTXLON-SNVBAGLBSA-N 2 2 180.251 1.159 10 0 ADAELP C[N@H+]1CCC[C@@]1(C[NH3+])c1ccco1 258628518 573319632 /nfs/dbraw/zinc/31/96/32/573319632.db2.gz JNQADJTVQTXLON-SNVBAGLBSA-N 2 2 180.251 1.159 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1ccccc1C 259415987 573319680 /nfs/dbraw/zinc/31/96/80/573319680.db2.gz MNFLXJXYLGOZTH-NSHDSACASA-N 2 2 178.279 1.475 10 0 ADAELP C[N@@H+]1CCC[C@]1(C[NH3+])c1ccco1 258628517 573319925 /nfs/dbraw/zinc/31/99/25/573319925.db2.gz JNQADJTVQTXLON-JTQLQIEISA-N 2 2 180.251 1.159 10 0 ADAELP C[N@H+]1CCC[C@]1(C[NH3+])c1ccco1 258628517 573319930 /nfs/dbraw/zinc/31/99/30/573319930.db2.gz JNQADJTVQTXLON-JTQLQIEISA-N 2 2 180.251 1.159 10 0 ADAELP C[NH+](C)[C@]1(Cc2ccco2)CC[NH2+]C1 258492082 573320179 /nfs/dbraw/zinc/32/01/79/573320179.db2.gz BFDWAEQXBVPTOX-NSHDSACASA-N 2 2 194.278 1.116 10 0 ADAELP C[NH2+]C/C(C)=C/c1c[nH+]cn1C 86228644 573320756 /nfs/dbraw/zinc/32/07/56/573320756.db2.gz QROGFNWCTRQOMH-XBXARRHUSA-N 2 2 165.240 1.043 10 0 ADAELP CCC(CC)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 129513617 573321057 /nfs/dbraw/zinc/32/10/57/573321057.db2.gz LVNDGZPBGDPRMX-GXSJLCMTSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(CC)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 129513617 573321062 /nfs/dbraw/zinc/32/10/62/573321062.db2.gz LVNDGZPBGDPRMX-GXSJLCMTSA-N 2 2 184.327 1.857 10 0 ADAELP C[N@@H+]1CCc2[nH+]c[nH]c2C1(C)C 238341416 573321247 /nfs/dbraw/zinc/32/12/47/573321247.db2.gz VUOWIIOZVVBTNQ-UHFFFAOYSA-N 2 2 165.240 1.133 10 0 ADAELP C[N@H+]1CCc2[nH+]c[nH]c2C1(C)C 238341416 573321249 /nfs/dbraw/zinc/32/12/49/573321249.db2.gz VUOWIIOZVVBTNQ-UHFFFAOYSA-N 2 2 165.240 1.133 10 0 ADAELP Cc1[nH+]cc([C@@H]([NH3+])C(C)C)n1C 74335131 573321465 /nfs/dbraw/zinc/32/14/65/573321465.db2.gz MIVUDFHMXVBKPI-VIFPVBQESA-N 2 2 167.256 1.384 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 82953758 573321506 /nfs/dbraw/zinc/32/15/06/573321506.db2.gz QHQBLFSODCAVLS-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@H](C2CC2)C1 82953758 573321510 /nfs/dbraw/zinc/32/15/10/573321510.db2.gz QHQBLFSODCAVLS-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CCCCO2)CCC[NH2+]1 258304106 573322441 /nfs/dbraw/zinc/32/24/41/573322441.db2.gz WOBJCOJBURQRBX-MNOVXSKESA-N 2 2 198.310 1.197 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CCCCO2)CCC[NH2+]1 258304106 573322445 /nfs/dbraw/zinc/32/24/45/573322445.db2.gz WOBJCOJBURQRBX-MNOVXSKESA-N 2 2 198.310 1.197 10 0 ADAELP CC(C)C[C@H]([NH3+])c1c[nH+]cn1C 74335543 573322090 /nfs/dbraw/zinc/32/20/90/573322090.db2.gz MVYPMRCOXGFPJY-QMMMGPOBSA-N 2 2 167.256 1.466 10 0 ADAELP C[NH2+]C/C(C)=C/c1c[nH+]cn1C1CC1 86228651 573322143 /nfs/dbraw/zinc/32/21/43/573322143.db2.gz XOVAJHVFVLDSBX-WEVVVXLNSA-N 2 2 191.278 1.841 10 0 ADAELP CC1(C)C([NH2+]Cc2c[nH+]c[nH]2)C1(C)C 86239801 573322357 /nfs/dbraw/zinc/32/23/57/573322357.db2.gz XUZQCWMZBZIDHO-UHFFFAOYSA-N 2 2 193.294 1.934 10 0 ADAELP CC1(C)C([NH2+][C@@H]2CCC[NH2+]C2)C1(C)C 86239808 573323290 /nfs/dbraw/zinc/32/32/90/573323290.db2.gz LABIGLRCFVNPND-SECBINFHSA-N 2 2 196.338 1.763 10 0 ADAELP C[C@H]1C[N@@H+]([C@@H]2CCCCO2)CCC[NH2+]1 258304111 573323336 /nfs/dbraw/zinc/32/33/36/573323336.db2.gz WOBJCOJBURQRBX-QWRGUYRKSA-N 2 2 198.310 1.197 10 0 ADAELP C[C@H]1C[N@H+]([C@@H]2CCCCO2)CCC[NH2+]1 258304111 573323343 /nfs/dbraw/zinc/32/33/43/573323343.db2.gz WOBJCOJBURQRBX-QWRGUYRKSA-N 2 2 198.310 1.197 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+](C2C(C)(C)C2(C)C)C1 86240405 573327445 /nfs/dbraw/zinc/32/74/45/573327445.db2.gz HPJIURDJRHVRSJ-VIFPVBQESA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@H]1CC[N@H+](C2C(C)(C)C2(C)C)C1 86240405 573327449 /nfs/dbraw/zinc/32/74/49/573327449.db2.gz HPJIURDJRHVRSJ-VIFPVBQESA-N 2 2 196.338 1.715 10 0 ADAELP C(C[N@@H+]1CC2CCC1CC2)[NH2+]C1CC1 308549638 573327495 /nfs/dbraw/zinc/32/74/95/573327495.db2.gz XCDFZDGVAGSWTF-UHFFFAOYSA-N 2 2 194.322 1.613 10 0 ADAELP C(C[N@H+]1CC2CCC1CC2)[NH2+]C1CC1 308549638 573327500 /nfs/dbraw/zinc/32/75/00/573327500.db2.gz XCDFZDGVAGSWTF-UHFFFAOYSA-N 2 2 194.322 1.613 10 0 ADAELP CCc1cc(NCCCC[NH3+])nc[nH+]1 40764972 573327603 /nfs/dbraw/zinc/32/76/03/573327603.db2.gz TUHGBJYZTVTSOA-UHFFFAOYSA-N 2 2 194.282 1.190 10 0 ADAELP CCn1c[nH+]c(C(C)(C)C[C@H](C)[NH3+])c1 308550402 573330146 /nfs/dbraw/zinc/33/01/46/573330146.db2.gz PSTRLTVMZCVKCI-VIFPVBQESA-N 2 2 195.310 1.918 10 0 ADAELP CC(C)[NH2+]C[C@@H](C1CC1)[NH+](C)C 132703684 573330400 /nfs/dbraw/zinc/33/04/00/573330400.db2.gz PDSPJZBGRCEPLN-JTQLQIEISA-N 2 2 170.300 1.325 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@H]2CC[C@H]2C)C1 308549676 573330701 /nfs/dbraw/zinc/33/07/01/573330701.db2.gz RDTIMPFYFKTZPI-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@H]2CC[C@H]2C)C1 308549676 573330708 /nfs/dbraw/zinc/33/07/08/573330708.db2.gz RDTIMPFYFKTZPI-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1[nH]c2cc(C[C@H](C)[NH3+])ccc2[nH+]1 74366433 573332739 /nfs/dbraw/zinc/33/27/39/573332739.db2.gz LIGASYZMHGSGIW-ZETCQYMHSA-N 2 2 189.262 1.761 10 0 ADAELP C[C@H]([NH2+]C1(C[NH+](C)C)CCC1)C1CC1 308560721 573332467 /nfs/dbraw/zinc/33/24/67/573332467.db2.gz FAHDWBBFHNDZNK-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+]CC1([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 236168546 573332592 /nfs/dbraw/zinc/33/25/92/573332592.db2.gz XYZVSGNYZUXXSR-QWRGUYRKSA-N 2 2 194.322 1.742 10 0 ADAELP [NH3+]CC1([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 236168546 573332597 /nfs/dbraw/zinc/33/25/97/573332597.db2.gz XYZVSGNYZUXXSR-QWRGUYRKSA-N 2 2 194.322 1.742 10 0 ADAELP Cc1[nH]c2ccc(C[C@H](C)[NH3+])cc2[nH+]1 74366433 573332736 /nfs/dbraw/zinc/33/27/36/573332736.db2.gz LIGASYZMHGSGIW-ZETCQYMHSA-N 2 2 189.262 1.761 10 0 ADAELP CC(C)[NH2+]C[C@H](C1CC1)[NH+](C)C 132703897 573333326 /nfs/dbraw/zinc/33/33/26/573333326.db2.gz PDSPJZBGRCEPLN-SNVBAGLBSA-N 2 2 170.300 1.325 10 0 ADAELP C[C@@H]([NH2+]C1(C[NH+](C)C)CCC1)C1CC1 308560722 573333007 /nfs/dbraw/zinc/33/30/07/573333007.db2.gz FAHDWBBFHNDZNK-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[NH3+] 259421892 573334913 /nfs/dbraw/zinc/33/49/13/573334913.db2.gz MTQYEZDNGREZFA-KWQFWETISA-N 2 2 194.278 1.303 10 0 ADAELP CCC1(CC)C[NH2+][C@](C)(C2CC2)C[NH2+]1 82960950 573334918 /nfs/dbraw/zinc/33/49/18/573334918.db2.gz QCWDRFSVPBUFBG-NSHDSACASA-N 2 2 196.338 1.907 10 0 ADAELP CC(C)c1c[nH]c(C2C[NH2+]C2)[nH+]1 258633230 573335491 /nfs/dbraw/zinc/33/54/91/573335491.db2.gz XXUDWQUBCHTCLS-UHFFFAOYSA-N 2 2 165.240 1.220 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H]1OCC[C@@H]1[NH3+] 86249160 573335063 /nfs/dbraw/zinc/33/50/63/573335063.db2.gz NQVKIULGPHVYMB-WPRPVWTQSA-N 2 2 195.266 1.253 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1cccc(F)c1 50270128 573335183 /nfs/dbraw/zinc/33/51/83/573335183.db2.gz PQVCHVRIGDXEHE-JTQLQIEISA-N 2 2 182.242 1.435 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(C)o1 50270125 573335406 /nfs/dbraw/zinc/33/54/06/573335406.db2.gz VHCUNLMOQPPWDI-MRVPVSSYSA-N 2 2 168.240 1.197 10 0 ADAELP C[C@]([NH3+])(C[NH3+])c1ccc(F)cc1F 259087540 573335498 /nfs/dbraw/zinc/33/54/98/573335498.db2.gz OTKKLCKNXXKRIW-VIFPVBQESA-N 2 2 186.205 1.097 10 0 ADAELP C[C@@]1(c2ccccc2)C[NH2+]CCC[NH2+]1 82960985 573335557 /nfs/dbraw/zinc/33/55/57/573335557.db2.gz QUKXVZCJNIGZMK-LBPRGKRZSA-N 2 2 190.290 1.485 10 0 ADAELP CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)C[NH2+]1 82960882 573335577 /nfs/dbraw/zinc/33/55/77/573335577.db2.gz AVNGDGGNZANLOK-ZMLRMANQSA-N 2 2 196.338 1.763 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1cccc(OC)c1 50270123 573335629 /nfs/dbraw/zinc/33/56/29/573335629.db2.gz CXGWSZPFZOCOTP-LLVKDONJSA-N 2 2 194.278 1.305 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(OC)cc1 50270114 573335647 /nfs/dbraw/zinc/33/56/47/573335647.db2.gz UHBZADOPWVCQBS-NSHDSACASA-N 2 2 194.278 1.305 10 0 ADAELP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)C[NH2+]1 82960707 573335648 /nfs/dbraw/zinc/33/56/48/573335648.db2.gz IREFGUADIMYQSO-GHMZBOCLSA-N 2 2 182.311 1.373 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](c2ccccc2)C[NH2+]1 82961011 573335794 /nfs/dbraw/zinc/33/57/94/573335794.db2.gz JPEXEVLLBQNYBJ-ZYHUDNBSSA-N 2 2 190.290 1.699 10 0 ADAELP C[C@@]([NH3+])(C[NH3+])c1ccc(F)cc1F 259087539 573335799 /nfs/dbraw/zinc/33/57/99/573335799.db2.gz OTKKLCKNXXKRIW-SECBINFHSA-N 2 2 186.205 1.097 10 0 ADAELP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)C[NH2+]1 82960709 573335807 /nfs/dbraw/zinc/33/58/07/573335807.db2.gz IREFGUADIMYQSO-MNOVXSKESA-N 2 2 182.311 1.373 10 0 ADAELP [NH3+][C@@H]1CCO[C@@H]1c1c[nH+]cn1C1CC1 86249493 573335820 /nfs/dbraw/zinc/33/58/20/573335820.db2.gz YQGOQOATBANEOF-SCZZXKLOSA-N 2 2 193.250 1.007 10 0 ADAELP C[C@H]1CC[NH2+][C@H](c2ccccc2)C[NH2+]1 82961010 573336062 /nfs/dbraw/zinc/33/60/62/573336062.db2.gz JPEXEVLLBQNYBJ-JQWIXIFHSA-N 2 2 190.290 1.699 10 0 ADAELP CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(CC)C[NH2+]1 82960866 573336261 /nfs/dbraw/zinc/33/62/61/573336261.db2.gz GHCAAGAXGHRALY-DCAQKATOSA-N 2 2 184.327 1.763 10 0 ADAELP CCn1c[nH+]cc1[C@H]1OCCC[C@H]1[NH3+] 86250537 573336262 /nfs/dbraw/zinc/33/62/62/573336262.db2.gz DTLGCPASZAKRRC-SCZZXKLOSA-N 2 2 195.266 1.082 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H]1OCC[C@H]1[NH3+] 86249157 573336316 /nfs/dbraw/zinc/33/63/16/573336316.db2.gz NQVKIULGPHVYMB-SCZZXKLOSA-N 2 2 195.266 1.253 10 0 ADAELP C[C@@H](C[NH2+]C(C)(C)C)[NH+]1CC=CC1 393584766 573336320 /nfs/dbraw/zinc/33/63/20/573336320.db2.gz PLGJGLVIQHQNNM-JTQLQIEISA-N 2 2 182.311 1.635 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1cccc(Cl)c1 50270120 573336328 /nfs/dbraw/zinc/33/63/28/573336328.db2.gz FJVYFOFYOOPPFN-JTQLQIEISA-N 2 2 198.697 1.949 10 0 ADAELP C[NH2+][C@@H](C[NH2+]C1CC1)c1ccccc1 259423476 573336384 /nfs/dbraw/zinc/33/63/84/573336384.db2.gz NPYRTQUZMFVTPU-LBPRGKRZSA-N 2 2 190.290 1.699 10 0 ADAELP C[C@H](C[NH2+]C(C)(C)C)[NH+]1CC=CC1 393584767 573336387 /nfs/dbraw/zinc/33/63/87/573336387.db2.gz PLGJGLVIQHQNNM-SNVBAGLBSA-N 2 2 182.311 1.635 10 0 ADAELP CC[C@@H](C)[C@@H]1C[NH2+]C2(CCCC2)C[NH2+]1 82960873 573336424 /nfs/dbraw/zinc/33/64/24/573336424.db2.gz AOVIEDACSAWQME-MNOVXSKESA-N 2 2 196.338 1.907 10 0 ADAELP COc1cc(C[NH3+])c2[nH]c[nH+]c2c1 238355215 573336494 /nfs/dbraw/zinc/33/64/94/573336494.db2.gz YXNZBWZMABEKJK-UHFFFAOYSA-N 2 2 177.207 1.030 10 0 ADAELP CCC1(CC)C[NH2+][C@@](C)(C2CC2)C[NH2+]1 82960949 573338429 /nfs/dbraw/zinc/33/84/29/573338429.db2.gz QCWDRFSVPBUFBG-LLVKDONJSA-N 2 2 196.338 1.907 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1OCCC[C@H]1[NH3+] 86250538 573338443 /nfs/dbraw/zinc/33/84/43/573338443.db2.gz DTLGCPASZAKRRC-PSASIEDQSA-N 2 2 195.266 1.082 10 0 ADAELP CCC1(CC)C[NH2+]C(C)(C)C[NH2+]1 82960728 573338500 /nfs/dbraw/zinc/33/85/00/573338500.db2.gz VTCSBALKVVLUJC-UHFFFAOYSA-N 2 2 170.300 1.517 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H]1OCC[C@H]1[NH3+] 86249158 573338519 /nfs/dbraw/zinc/33/85/19/573338519.db2.gz NQVKIULGPHVYMB-PSASIEDQSA-N 2 2 195.266 1.253 10 0 ADAELP CCn1c[nH+]cc1[C@H]1OCCC[C@@H]1[NH3+] 86250539 573338672 /nfs/dbraw/zinc/33/86/72/573338672.db2.gz DTLGCPASZAKRRC-WPRPVWTQSA-N 2 2 195.266 1.082 10 0 ADAELP C[NH+](C)CC[C@@]1(C)[NH2+]CC(C)(C)O1 258305258 573339269 /nfs/dbraw/zinc/33/92/69/573339269.db2.gz CQUMQLMHLFSHBL-JTQLQIEISA-N 2 2 186.299 1.053 10 0 ADAELP CC[C@@H](C)[C@H]1C[NH2+]C2(CCCC2)C[NH2+]1 82960875 573339294 /nfs/dbraw/zinc/33/92/94/573339294.db2.gz AOVIEDACSAWQME-GHMZBOCLSA-N 2 2 196.338 1.907 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccccc1OC 50270131 573339309 /nfs/dbraw/zinc/33/93/09/573339309.db2.gz ROSRTHYQCDCAJX-SNVBAGLBSA-N 2 2 194.278 1.305 10 0 ADAELP CCn1c[nH+]c(C(C)(C)CC[NH2+]C)c1 308554093 573339438 /nfs/dbraw/zinc/33/94/38/573339438.db2.gz RHCKLISPQJIDIR-UHFFFAOYSA-N 2 2 195.310 1.790 10 0 ADAELP C[C@@]1(C2CC2)C[NH2+][C@](C)(C2CC2)C[NH2+]1 82960953 573340645 /nfs/dbraw/zinc/34/06/45/573340645.db2.gz XKKKLIPTFOPBGR-RYUDHWBXSA-N 2 2 194.322 1.517 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccccc1C 50270103 573339595 /nfs/dbraw/zinc/33/95/95/573339595.db2.gz VMGMYZXQCWNTCF-LLVKDONJSA-N 2 2 178.279 1.604 10 0 ADAELP CC(C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 129542715 573341144 /nfs/dbraw/zinc/34/11/44/573341144.db2.gz TWPUWMBIVYDVEZ-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CCn1c[nH+]c(/C(C)=C\CC[NH2+]C)c1 308554144 573339811 /nfs/dbraw/zinc/33/98/11/573339811.db2.gz RJIXFKQJOZOKIB-POHAHGRESA-N 2 2 193.294 1.916 10 0 ADAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[NH3+] 259421887 573339818 /nfs/dbraw/zinc/33/98/18/573339818.db2.gz MTQYEZDNGREZFA-GZMMTYOYSA-N 2 2 194.278 1.303 10 0 ADAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[NH2+]1 82960703 573339843 /nfs/dbraw/zinc/33/98/43/573339843.db2.gz DNHSMDWDMFSNSZ-SNVBAGLBSA-N 2 2 182.311 1.517 10 0 ADAELP CC(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 129543129 573339961 /nfs/dbraw/zinc/33/99/61/573339961.db2.gz TWPUWMBIVYDVEZ-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@]1(c2ccccc2)C[NH2+]CCC[NH2+]1 82960984 573339962 /nfs/dbraw/zinc/33/99/62/573339962.db2.gz QUKXVZCJNIGZMK-GFCCVEGCSA-N 2 2 190.290 1.485 10 0 ADAELP CC(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 129543129 573339968 /nfs/dbraw/zinc/33/99/68/573339968.db2.gz TWPUWMBIVYDVEZ-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 129542715 573341150 /nfs/dbraw/zinc/34/11/50/573341150.db2.gz TWPUWMBIVYDVEZ-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC1(C)C[NH2+]C2(CCCCC2)C[NH2+]1 82960730 573339995 /nfs/dbraw/zinc/33/99/95/573339995.db2.gz LFEATLFTYMKLAU-UHFFFAOYSA-N 2 2 182.311 1.661 10 0 ADAELP C1CC1[NH2+][C@H]1CC[N@@H+]([C@H]2CC23CC3)C1 715276301 573340079 /nfs/dbraw/zinc/34/00/79/573340079.db2.gz ATDGCPQHAVQDPS-QWRGUYRKSA-N 2 2 192.306 1.365 10 0 ADAELP C1CC1[NH2+][C@H]1CC[N@H+]([C@H]2CC23CC3)C1 715276301 573340086 /nfs/dbraw/zinc/34/00/86/573340086.db2.gz ATDGCPQHAVQDPS-QWRGUYRKSA-N 2 2 192.306 1.365 10 0 ADAELP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)C[NH2+]1 82960708 573340146 /nfs/dbraw/zinc/34/01/46/573340146.db2.gz IREFGUADIMYQSO-QWRGUYRKSA-N 2 2 182.311 1.373 10 0 ADAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] 259421895 573340152 /nfs/dbraw/zinc/34/01/52/573340152.db2.gz MTQYEZDNGREZFA-LDYMZIIASA-N 2 2 194.278 1.303 10 0 ADAELP C1CC1[NH2+][C@H]1CC[N@@H+]([C@@H]2CC23CC3)C1 715276304 573340191 /nfs/dbraw/zinc/34/01/91/573340191.db2.gz ATDGCPQHAVQDPS-WDEREUQCSA-N 2 2 192.306 1.365 10 0 ADAELP C1CC1[NH2+][C@H]1CC[N@H+]([C@@H]2CC23CC3)C1 715276304 573340196 /nfs/dbraw/zinc/34/01/96/573340196.db2.gz ATDGCPQHAVQDPS-WDEREUQCSA-N 2 2 192.306 1.365 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccccc1C 50270102 573340210 /nfs/dbraw/zinc/34/02/10/573340210.db2.gz VMGMYZXQCWNTCF-NSHDSACASA-N 2 2 178.279 1.604 10 0 ADAELP C[NH+](C)CC[C@]1(C)[NH2+]CC(C)(C)O1 258305268 573340307 /nfs/dbraw/zinc/34/03/07/573340307.db2.gz CQUMQLMHLFSHBL-SNVBAGLBSA-N 2 2 186.299 1.053 10 0 ADAELP CC(C)CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 129542913 573340327 /nfs/dbraw/zinc/34/03/27/573340327.db2.gz TWPUWMBIVYDVEZ-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 129542913 573340333 /nfs/dbraw/zinc/34/03/33/573340333.db2.gz TWPUWMBIVYDVEZ-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1cccc(Cl)c1 50270121 573340380 /nfs/dbraw/zinc/34/03/80/573340380.db2.gz FJVYFOFYOOPPFN-SNVBAGLBSA-N 2 2 198.697 1.949 10 0 ADAELP CC[C@H](C)[C@@H]1C[NH2+]C2(CCCC2)C[NH2+]1 82960874 573340601 /nfs/dbraw/zinc/34/06/01/573340601.db2.gz AOVIEDACSAWQME-QWRGUYRKSA-N 2 2 196.338 1.907 10 0 ADAELP CC[C@H](C)[C@H]1C[NH2+][C@@](C)(C2CC2)C[NH2+]1 82960884 573340658 /nfs/dbraw/zinc/34/06/58/573340658.db2.gz AVNGDGGNZANLOK-MVWJERBFSA-N 2 2 196.338 1.763 10 0 ADAELP CC[C@H](C)[C@H]1C[NH2+]C2(CCCC2)C[NH2+]1 82960876 573340746 /nfs/dbraw/zinc/34/07/46/573340746.db2.gz AOVIEDACSAWQME-WDEREUQCSA-N 2 2 196.338 1.907 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1sccc1C 50270153 573340942 /nfs/dbraw/zinc/34/09/42/573340942.db2.gz DMKCFWOFVWGMFB-MRVPVSSYSA-N 2 2 184.308 1.666 10 0 ADAELP CCC1(CC)C[NH2+][C@](C)(CC)C[NH2+]1 82960900 573340769 /nfs/dbraw/zinc/34/07/69/573340769.db2.gz BVOUNRKQSUCBAX-SNVBAGLBSA-N 2 2 184.327 1.907 10 0 ADAELP C[C@]1(C2CC2)C[NH2+][C@@](C)(C2CC2)C[NH2+]1 82960951 573340987 /nfs/dbraw/zinc/34/09/87/573340987.db2.gz XKKKLIPTFOPBGR-VXGBXAGGSA-N 2 2 194.322 1.517 10 0 ADAELP CC[C@@]1(C)C[NH2+][C@@](C)(CC)C[NH2+]1 82960898 573341018 /nfs/dbraw/zinc/34/10/18/573341018.db2.gz LIKXPJZFKLBWRP-UWVGGRQHSA-N 2 2 170.300 1.517 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1ccccc1F 50271247 573341451 /nfs/dbraw/zinc/34/14/51/573341451.db2.gz NHNUJTUTUCTTAI-LLVKDONJSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1ccsc1 50271141 573341099 /nfs/dbraw/zinc/34/10/99/573341099.db2.gz XWYSIJCDIUJFOG-SECBINFHSA-N 2 2 182.292 1.500 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])[NH2+]C2CC2)cc1 50271109 573341439 /nfs/dbraw/zinc/34/14/39/573341439.db2.gz KRSWDCOJUPENIC-GFCCVEGCSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1ccc([C@H](C[NH3+])[NH2+]C(C)C)o1 50270795 573341177 /nfs/dbraw/zinc/34/11/77/573341177.db2.gz HGTIRJRVOHKJBW-VIFPVBQESA-N 2 2 182.267 1.586 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(C)c(C)c1 50270325 573341259 /nfs/dbraw/zinc/34/12/59/573341259.db2.gz PZRCDBFPYCOODD-LBPRGKRZSA-N 2 2 192.306 1.913 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccc(F)cc1 50270850 573341282 /nfs/dbraw/zinc/34/12/82/573341282.db2.gz QRLSXOYRDCCIIJ-NSHDSACASA-N 2 2 196.269 1.824 10 0 ADAELP Cc1cccc([C@H](C[NH3+])[NH2+]C(C)C)c1 50270777 573341294 /nfs/dbraw/zinc/34/12/94/573341294.db2.gz LDHXMBQWRBYYNG-LBPRGKRZSA-N 2 2 192.306 1.993 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1ccccc1 50270916 573343212 /nfs/dbraw/zinc/34/32/12/573343212.db2.gz JVNSMNSURRNHGI-LLVKDONJSA-N 2 2 178.279 1.684 10 0 ADAELP CCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 129571625 573342794 /nfs/dbraw/zinc/34/27/94/573342794.db2.gz NROUKWNLLKLEOS-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 129571625 573342799 /nfs/dbraw/zinc/34/27/99/573342799.db2.gz NROUKWNLLKLEOS-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1ccco1 50270847 573342920 /nfs/dbraw/zinc/34/29/20/573342920.db2.gz MRDRKWKUJNPPTC-MRVPVSSYSA-N 2 2 168.240 1.277 10 0 ADAELP C1CCC(C[NH2+]CC[NH+]2CCCC2)C1 50271424 573343247 /nfs/dbraw/zinc/34/32/47/573343247.db2.gz QTMFOFYOXRWIQU-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1ccccc1 50271252 573342972 /nfs/dbraw/zinc/34/29/72/573342972.db2.gz RYDONUAMJLQGAC-NSHDSACASA-N 2 2 176.263 1.438 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(Cl)cc1 50270156 573342992 /nfs/dbraw/zinc/34/29/92/573342992.db2.gz LVSQBTUCSHPCSU-JTQLQIEISA-N 2 2 198.697 1.949 10 0 ADAELP C[NH2+][C@@H](C)CC(C)(C)c1cn(C)c[nH+]1 308555087 573343248 /nfs/dbraw/zinc/34/32/48/573343248.db2.gz RRYRQDWZKWWPMI-VIFPVBQESA-N 2 2 195.310 1.696 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccsc1 50270470 573343059 /nfs/dbraw/zinc/34/30/59/573343059.db2.gz ALBYCDBVGMQDIA-VIFPVBQESA-N 2 2 184.308 1.748 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1cccc(F)c1 50271133 573343099 /nfs/dbraw/zinc/34/30/99/573343099.db2.gz UWLQVFAQRFSGTR-LLVKDONJSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1ccc(F)cc1 50271186 573343116 /nfs/dbraw/zinc/34/31/16/573343116.db2.gz ILJIIAIAYIJEPB-NSHDSACASA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1cccs1 50271175 573343128 /nfs/dbraw/zinc/34/31/28/573343128.db2.gz MMCJAZHLUQVHEP-MRVPVSSYSA-N 2 2 182.292 1.500 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1ccccc1F 50271248 573343171 /nfs/dbraw/zinc/34/31/71/573343171.db2.gz NHNUJTUTUCTTAI-NSHDSACASA-N 2 2 194.253 1.578 10 0 ADAELP Cc1cccc([C@@H](C[NH3+])[NH2+]C2CC2)c1 50271111 573343909 /nfs/dbraw/zinc/34/39/09/573343909.db2.gz SVGVZRZIGZBEDK-GFCCVEGCSA-N 2 2 190.290 1.747 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccccc1 50270580 573344029 /nfs/dbraw/zinc/34/40/29/573344029.db2.gz BLOBZTUQNUJPNN-NSHDSACASA-N 2 2 178.279 1.686 10 0 ADAELP CC(C)[NH2+]CC[C@@H](C)c1cn(C)c[nH+]1 308558071 573344041 /nfs/dbraw/zinc/34/40/41/573344041.db2.gz UGZYHVFBDBADGQ-SNVBAGLBSA-N 2 2 195.310 1.912 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(C)cc1C 50270143 573344087 /nfs/dbraw/zinc/34/40/87/573344087.db2.gz RRKQZUZCRPTYCE-GFCCVEGCSA-N 2 2 192.306 1.913 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1cccs1 50270841 573344228 /nfs/dbraw/zinc/34/42/28/573344228.db2.gz ANPRPNXJQXQXRM-MRVPVSSYSA-N 2 2 184.308 1.746 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H]1C=CC[NH2+]1 308557529 573344252 /nfs/dbraw/zinc/34/42/52/573344252.db2.gz UBCNMJBSWZSFGC-JTQLQIEISA-N 2 2 191.278 1.364 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1cccnc1 50270891 573344253 /nfs/dbraw/zinc/34/42/53/573344253.db2.gz UHKMPWXHPCOTRH-SNVBAGLBSA-N 2 2 179.267 1.079 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])[NH2+]C(C)C)cc1 50270774 573344293 /nfs/dbraw/zinc/34/42/93/573344293.db2.gz AZXZSWJEVNIWPR-GFCCVEGCSA-N 2 2 192.306 1.993 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccccc1F 50270240 573344338 /nfs/dbraw/zinc/34/43/38/573344338.db2.gz IVIQQHMKJITQDF-JTQLQIEISA-N 2 2 182.242 1.435 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccccc1F 50270576 573345709 /nfs/dbraw/zinc/34/57/09/573345709.db2.gz UUQKGYUYGUFSON-NSHDSACASA-N 2 2 196.269 1.825 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1cccc(F)c1 50270799 573345728 /nfs/dbraw/zinc/34/57/28/573345728.db2.gz IZTNJFLJCKBFIA-LLVKDONJSA-N 2 2 196.269 1.824 10 0 ADAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cn1 308557743 573345224 /nfs/dbraw/zinc/34/52/24/573345224.db2.gz VCFWYHBUPWZAKS-VHSXEESVSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ccc([C@H](C[NH3+])[NH2+]C(C)C)cc1 50270775 573345302 /nfs/dbraw/zinc/34/53/02/573345302.db2.gz AZXZSWJEVNIWPR-LBPRGKRZSA-N 2 2 192.306 1.993 10 0 ADAELP CC(C)c1c[nH]c([C@H]2CC[NH2+]C2)[nH+]1 86276572 573345624 /nfs/dbraw/zinc/34/56/24/573345624.db2.gz LOIAKYDTHCYXOX-QMMMGPOBSA-N 2 2 179.267 1.610 10 0 ADAELP Cc1ccc([C@@H](C[NH3+])[NH2+]C(C)C)o1 50270794 573345652 /nfs/dbraw/zinc/34/56/52/573345652.db2.gz HGTIRJRVOHKJBW-SECBINFHSA-N 2 2 182.267 1.586 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccccc1F 50270911 573345691 /nfs/dbraw/zinc/34/56/91/573345691.db2.gz LAKIQRUIEFJKEF-NSHDSACASA-N 2 2 196.269 1.824 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(C)c(C)c1 50270326 573345831 /nfs/dbraw/zinc/34/58/31/573345831.db2.gz PZRCDBFPYCOODD-GFCCVEGCSA-N 2 2 192.306 1.913 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(F)cc1 50270180 573346411 /nfs/dbraw/zinc/34/64/11/573346411.db2.gz ROMCLFFZEKPTIH-JTQLQIEISA-N 2 2 182.242 1.435 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccc(C)s1 50270298 573346446 /nfs/dbraw/zinc/34/64/46/573346446.db2.gz WPCIIYKCPRBKLO-QMMMGPOBSA-N 2 2 184.308 1.666 10 0 ADAELP Cc1ccc([C@H](C[NH3+])[NH2+]C2CC2)s1 50271308 573346474 /nfs/dbraw/zinc/34/64/74/573346474.db2.gz OJODYDDZBNPXJU-VIFPVBQESA-N 2 2 196.319 1.808 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccccc1Cl 50270174 573346483 /nfs/dbraw/zinc/34/64/83/573346483.db2.gz ZNOWHNUKVDGWTQ-JTQLQIEISA-N 2 2 198.697 1.949 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1ccsc1 50271142 573346863 /nfs/dbraw/zinc/34/68/63/573346863.db2.gz XWYSIJCDIUJFOG-VIFPVBQESA-N 2 2 182.292 1.500 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccc(C)cc1 50270438 573346532 /nfs/dbraw/zinc/34/65/32/573346532.db2.gz NTCDPHSTXJEUDE-LBPRGKRZSA-N 2 2 192.306 1.994 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+][C@H]1CCC(F)(F)C1 308358402 573346542 /nfs/dbraw/zinc/34/65/42/573346542.db2.gz BRQRHSCANKNNKK-YUMQZZPRSA-N 2 2 192.253 1.372 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1cccc(F)c1 50270798 573346575 /nfs/dbraw/zinc/34/65/75/573346575.db2.gz IZTNJFLJCKBFIA-NSHDSACASA-N 2 2 196.269 1.824 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1cccs1 50270840 573346610 /nfs/dbraw/zinc/34/66/10/573346610.db2.gz ANPRPNXJQXQXRM-QMMMGPOBSA-N 2 2 184.308 1.746 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1cccc(C)c1 50270440 573346753 /nfs/dbraw/zinc/34/67/53/573346753.db2.gz MRCTZQZZOGLFSB-LBPRGKRZSA-N 2 2 192.306 1.994 10 0 ADAELP CC(C)[C@H]([NH+](C)C)C(C)(C)[NH3+] 259609855 573349333 /nfs/dbraw/zinc/34/93/33/573349333.db2.gz QVMKEJGHCBLIEH-QMMMGPOBSA-N 2 2 158.289 1.310 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CCCCO2)C1 258292442 573349536 /nfs/dbraw/zinc/34/95/36/573349536.db2.gz VUILAOUKLCKURI-GHMZBOCLSA-N 2 2 198.310 1.054 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CCCCO2)C1 258292442 573349544 /nfs/dbraw/zinc/34/95/44/573349544.db2.gz VUILAOUKLCKURI-GHMZBOCLSA-N 2 2 198.310 1.054 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC(F)F)C1 308359723 573349676 /nfs/dbraw/zinc/34/96/76/573349676.db2.gz CSVPVTNIKOQYBF-YUMQZZPRSA-N 2 2 192.253 1.324 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@@H](C)CC(F)F)C1 308359723 573349683 /nfs/dbraw/zinc/34/96/83/573349683.db2.gz CSVPVTNIKOQYBF-YUMQZZPRSA-N 2 2 192.253 1.324 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+][C@@H]1CCC(F)(F)C1 308358397 573349825 /nfs/dbraw/zinc/34/98/25/573349825.db2.gz BRQRHSCANKNNKK-JGVFFNPUSA-N 2 2 192.253 1.372 10 0 ADAELP CC[NH+](CC)CC[NH2+]C1CC=CC1 132906366 573349837 /nfs/dbraw/zinc/34/98/37/573349837.db2.gz HELZEWQRYCTZHJ-UHFFFAOYSA-N 2 2 182.311 1.636 10 0 ADAELP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C1)C1CC1 132917489 573349889 /nfs/dbraw/zinc/34/98/89/573349889.db2.gz XQNALUVMCXMBFS-SCVCMEIPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1)C1CC1 132917489 573349895 /nfs/dbraw/zinc/34/98/95/573349895.db2.gz XQNALUVMCXMBFS-SCVCMEIPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1)C1CC1 132917681 573350203 /nfs/dbraw/zinc/35/02/03/573350203.db2.gz XQNALUVMCXMBFS-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1)C1CC1 132917681 573350211 /nfs/dbraw/zinc/35/02/11/573350211.db2.gz XQNALUVMCXMBFS-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CCCCO2)C1 258292451 573350249 /nfs/dbraw/zinc/35/02/49/573350249.db2.gz VUILAOUKLCKURI-WDEREUQCSA-N 2 2 198.310 1.054 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CCCCO2)C1 258292451 573350256 /nfs/dbraw/zinc/35/02/56/573350256.db2.gz VUILAOUKLCKURI-WDEREUQCSA-N 2 2 198.310 1.054 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1occc1C 308558678 573350412 /nfs/dbraw/zinc/35/04/12/573350412.db2.gz CTIVAPIIGUAXNV-JTQLQIEISA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1occc1C 308558678 573350415 /nfs/dbraw/zinc/35/04/15/573350415.db2.gz CTIVAPIIGUAXNV-JTQLQIEISA-N 2 2 196.294 1.757 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+]([C@@H]2CCCCO2)C1 258292445 573351590 /nfs/dbraw/zinc/35/15/90/573351590.db2.gz VUILAOUKLCKURI-MNOVXSKESA-N 2 2 198.310 1.054 10 0 ADAELP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1)C1CC1 132917903 573351208 /nfs/dbraw/zinc/35/12/08/573351208.db2.gz XQNALUVMCXMBFS-JFGNBEQYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1)C1CC1 132917903 573351211 /nfs/dbraw/zinc/35/12/11/573351211.db2.gz XQNALUVMCXMBFS-JFGNBEQYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2CCCCO2)C1 258292445 573351597 /nfs/dbraw/zinc/35/15/97/573351597.db2.gz VUILAOUKLCKURI-MNOVXSKESA-N 2 2 198.310 1.054 10 0 ADAELP CCc1c(C)[nH+]c2cc(C[NH3+])ccn12 74536304 573352599 /nfs/dbraw/zinc/35/25/99/573352599.db2.gz NZFMZWDQEZSBBO-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP CC(C)[NH2+][C@H](C)[C@@H](C)c1cn(C)c[nH+]1 308561500 573354395 /nfs/dbraw/zinc/35/43/95/573354395.db2.gz WGEASJMKMKAOCQ-NXEZZACHSA-N 2 2 195.310 1.910 10 0 ADAELP CC(C)[NH2+][C@@H](C)[C@H](C)c1cn(C)c[nH+]1 308561503 573355396 /nfs/dbraw/zinc/35/53/96/573355396.db2.gz WGEASJMKMKAOCQ-UWVGGRQHSA-N 2 2 195.310 1.910 10 0 ADAELP C[C@H](CC[NH2+]C1CC1)c1cn(C)c[nH+]1 308561999 573356097 /nfs/dbraw/zinc/35/60/97/573356097.db2.gz WLPZEGTXWBFYKG-SECBINFHSA-N 2 2 193.294 1.666 10 0 ADAELP CCc1c(C)[nH+]c2ccc(C[NH3+])cn12 74536316 573355859 /nfs/dbraw/zinc/35/58/59/573355859.db2.gz YGVSDYQAKTTWIE-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP CCc1c(C)[nH+]c2cccc(C[NH3+])n12 74536325 573355976 /nfs/dbraw/zinc/35/59/76/573355976.db2.gz RBTIQDWSKQRDHU-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@H](C)CC1CC1 132880791 573355990 /nfs/dbraw/zinc/35/59/90/573355990.db2.gz LDAOOURIKHBZLF-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@H](C)CC1CC1 132880791 573355999 /nfs/dbraw/zinc/35/59/99/573355999.db2.gz LDAOOURIKHBZLF-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]([C@H](C)C[NH3+])n1cc[nH+]c1 86312963 573358478 /nfs/dbraw/zinc/35/84/78/573358478.db2.gz SEWAMBOXDWCKMV-SFYZADRCSA-N 2 2 153.229 1.039 10 0 ADAELP CC[C@@H](C[NH3+])CNc1cccc[nH+]1 259089963 573360769 /nfs/dbraw/zinc/36/07/69/573360769.db2.gz VYFZPOBJRYGNDP-VIFPVBQESA-N 2 2 179.267 1.478 10 0 ADAELP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[NH+]1CCCC1 308562996 573360229 /nfs/dbraw/zinc/36/02/29/573360229.db2.gz YNGDBZIEXBMNQW-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C[NH3+])CNc1cccc[nH+]1 259089961 573360246 /nfs/dbraw/zinc/36/02/46/573360246.db2.gz VYFZPOBJRYGNDP-SECBINFHSA-N 2 2 179.267 1.478 10 0 ADAELP C[C@@H](C[NH2+][C@@H]1CC[C@H]1C)[NH+]1CCCC1 308562992 573360788 /nfs/dbraw/zinc/36/07/88/573360788.db2.gz YNGDBZIEXBMNQW-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+]1CCCC1 308562993 573362311 /nfs/dbraw/zinc/36/23/11/573362311.db2.gz YNGDBZIEXBMNQW-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[NH2+]CCF)cc1 308562797 573362539 /nfs/dbraw/zinc/36/25/39/573362539.db2.gz WZJHBKIEZNTYGT-LLVKDONJSA-N 2 2 196.269 1.554 10 0 ADAELP CCC[C@@H](C[NH3+])[NH2+]Cc1ccncc1 308562759 573363878 /nfs/dbraw/zinc/36/38/78/573363878.db2.gz YMHRUUFZDLQXCS-NSHDSACASA-N 2 2 193.294 1.299 10 0 ADAELP C[NH2+]CC1([C@H]([NH3+])c2ccc(C)o2)CC1 259427624 573364790 /nfs/dbraw/zinc/36/47/90/573364790.db2.gz NAJWSIBFNSPMPR-SNVBAGLBSA-N 2 2 194.278 1.587 10 0 ADAELP CC[C@H]1C[N@H+](CC[NH2+]C)CCS1 133033122 573364792 /nfs/dbraw/zinc/36/47/92/573364792.db2.gz AVQBDSANVCVGGK-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP CC[C@H]1C[N@@H+](CC[NH2+]C)CCS1 133033122 573364795 /nfs/dbraw/zinc/36/47/95/573364795.db2.gz AVQBDSANVCVGGK-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(Cl)cs1 86333305 573364820 /nfs/dbraw/zinc/36/48/20/573364820.db2.gz RFRXOGYNQPPRNW-ZCFIWIBFSA-N 2 2 190.699 1.621 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1cc(Cl)cs1 86333249 573365164 /nfs/dbraw/zinc/36/51/64/573365164.db2.gz AYPUQFGFGPRJHD-RXMQYKEDSA-N 2 2 176.672 1.360 10 0 ADAELP C[NH+](C)CCc1[nH+]cc2n1CCCC2 258314560 573366832 /nfs/dbraw/zinc/36/68/32/573366832.db2.gz PKUIRDOYAFFVDM-UHFFFAOYSA-N 2 2 193.294 1.324 10 0 ADAELP Cc1ccoc1C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 308564335 573366866 /nfs/dbraw/zinc/36/68/66/573366866.db2.gz HAMNHBDSFYKCBQ-ZJUUUORDSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccoc1C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 308564335 573366869 /nfs/dbraw/zinc/36/68/69/573366869.db2.gz HAMNHBDSFYKCBQ-ZJUUUORDSA-N 2 2 196.294 1.756 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](C)CC1CC1 308563928 573366968 /nfs/dbraw/zinc/36/69/68/573366968.db2.gz GWQBMALPDUUVNX-UMNHJUIQSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](C)CC1CC1 308563928 573366973 /nfs/dbraw/zinc/36/69/73/573366973.db2.gz GWQBMALPDUUVNX-UMNHJUIQSA-N 2 2 196.338 1.715 10 0 ADAELP Cc1ccccc1[C@]1(C[NH3+])CC[NH2+]1 258318388 573367038 /nfs/dbraw/zinc/36/70/38/573367038.db2.gz UDPGDPMUQWRODS-LLVKDONJSA-N 2 2 176.263 1.142 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1cccc(OC)c1 259429591 573367073 /nfs/dbraw/zinc/36/70/73/573367073.db2.gz PJQSNFCLQJMQMX-NSHDSACASA-N 2 2 194.278 1.305 10 0 ADAELP C[C@H](CC1CC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C 308563926 573367092 /nfs/dbraw/zinc/36/70/92/573367092.db2.gz GWQBMALPDUUVNX-FOGDFJRCSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](CC1CC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 308563926 573367099 /nfs/dbraw/zinc/36/70/99/573367099.db2.gz GWQBMALPDUUVNX-FOGDFJRCSA-N 2 2 196.338 1.715 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CC1)c1ccc(F)cc1 258326788 573371896 /nfs/dbraw/zinc/37/18/96/573371896.db2.gz PPPNHRFYULWGDJ-LLVKDONJSA-N 2 2 194.253 1.578 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)[C@@H]1C 83042633 573372924 /nfs/dbraw/zinc/37/29/24/573372924.db2.gz JANPYXAFIOPKHG-FXPVBKGRSA-N 2 2 193.294 1.934 10 0 ADAELP C/C=C/CC[NH2+]CCc1[nH+]ccn1C 126139141 573373045 /nfs/dbraw/zinc/37/30/45/573373045.db2.gz SHQZSMCGMXQBCZ-ONEGZZNKSA-N 2 2 193.294 1.518 10 0 ADAELP C[C@@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)[C@@H]1C 83046348 573373746 /nfs/dbraw/zinc/37/37/46/573373746.db2.gz LMHMLMPSMGJCMH-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)[C@@H]1C 83046348 573373750 /nfs/dbraw/zinc/37/37/50/573373750.db2.gz LMHMLMPSMGJCMH-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@@H](c1ccccc1)[C@H]1CCC[NH2+]1 259429983 573375212 /nfs/dbraw/zinc/37/52/12/573375212.db2.gz NZJRZWSHBAGGMJ-NEPJUHHUSA-N 2 2 190.290 1.699 10 0 ADAELP C[NH2+][C@H](c1ccccc1)[C@H]1CCC[NH2+]1 259429992 573375296 /nfs/dbraw/zinc/37/52/96/573375296.db2.gz NZJRZWSHBAGGMJ-VXGBXAGGSA-N 2 2 190.290 1.699 10 0 ADAELP C[NH2+][C@H](c1ccccc1)[C@@H]1CCC[NH2+]1 259429986 573375484 /nfs/dbraw/zinc/37/54/84/573375484.db2.gz NZJRZWSHBAGGMJ-NWDGAFQWSA-N 2 2 190.290 1.699 10 0 ADAELP CC(C)Cc1c[nH]c(C2(C[NH3+])CC2)[nH+]1 259099574 573375995 /nfs/dbraw/zinc/37/59/95/573375995.db2.gz NUTLNGVUKMVIKE-UHFFFAOYSA-N 2 2 193.294 1.599 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CC2)[C@@H]1C 308565768 573376106 /nfs/dbraw/zinc/37/61/06/573376106.db2.gz HPQJCIZQQXGEPI-FOGDFJRCSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CC2)[C@@H]1C 308565768 573376111 /nfs/dbraw/zinc/37/61/11/573376111.db2.gz HPQJCIZQQXGEPI-FOGDFJRCSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@@H](c1ccccc1)[C@@H]1CCC[NH2+]1 259429989 573376281 /nfs/dbraw/zinc/37/62/81/573376281.db2.gz NZJRZWSHBAGGMJ-RYUDHWBXSA-N 2 2 190.290 1.699 10 0 ADAELP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)[C@@H]1C 83046764 573376387 /nfs/dbraw/zinc/37/63/87/573376387.db2.gz IWKGVMKAIDYEDJ-WYUUTHIRSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH3+])C2)[C@@H]1C 83046764 573376396 /nfs/dbraw/zinc/37/63/96/573376396.db2.gz IWKGVMKAIDYEDJ-WYUUTHIRSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]CC[N@H+](C)C1CC1 308565769 573376643 /nfs/dbraw/zinc/37/66/43/573376643.db2.gz HPQJCIZQQXGEPI-JFGNBEQYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]CC[N@@H+](C)C1CC1 308565769 573376646 /nfs/dbraw/zinc/37/66/46/573376646.db2.gz HPQJCIZQQXGEPI-JFGNBEQYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H](CC(F)F)[NH2+][C@H]1CC[N@H+](C)C1 308376887 573376867 /nfs/dbraw/zinc/37/68/67/573376867.db2.gz OINPVNLRMDTBLG-SFYZADRCSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@H](CC(F)F)[NH2+][C@H]1CC[N@@H+](C)C1 308376887 573376872 /nfs/dbraw/zinc/37/68/72/573376872.db2.gz OINPVNLRMDTBLG-SFYZADRCSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@H](CC(F)F)[NH2+][C@@H]1CC[N@H+](C)C1 308376872 573376990 /nfs/dbraw/zinc/37/69/90/573376990.db2.gz OINPVNLRMDTBLG-HTQZYQBOSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@H](CC(F)F)[NH2+][C@@H]1CC[N@@H+](C)C1 308376872 573376996 /nfs/dbraw/zinc/37/69/96/573376996.db2.gz OINPVNLRMDTBLG-HTQZYQBOSA-N 2 2 192.253 1.324 10 0 ADAELP CCCc1cn2c(C[NH3+])cccc2[nH+]1 258017057 573377010 /nfs/dbraw/zinc/37/70/10/573377010.db2.gz RERJMSVPPGRSPM-UHFFFAOYSA-N 2 2 189.262 1.746 10 0 ADAELP C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1(C)C 259430614 573377879 /nfs/dbraw/zinc/37/78/79/573377879.db2.gz NXVFQPLOPZINAX-VIFPVBQESA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1(C)C 259430614 573377883 /nfs/dbraw/zinc/37/78/83/573377883.db2.gz NXVFQPLOPZINAX-VIFPVBQESA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)[C@@H]1C 83046354 573377565 /nfs/dbraw/zinc/37/75/65/573377565.db2.gz LMHMLMPSMGJCMH-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CC[C@@H]([N@H+]2CCC[NH2+]CC2)[C@@H]1C 83046354 573377567 /nfs/dbraw/zinc/37/75/67/573377567.db2.gz LMHMLMPSMGJCMH-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP COc1cc(NCC[NH+](C)C)cc[nH+]1 133161666 573378220 /nfs/dbraw/zinc/37/82/20/573378220.db2.gz OVIBTYYCSDGBTN-UHFFFAOYSA-N 2 2 195.266 1.064 10 0 ADAELP CC[C@H](CCOC)[NH2+]Cc1c[nH+]c[nH]1 308567360 573381650 /nfs/dbraw/zinc/38/16/50/573381650.db2.gz BBYNUNGOKBKDIZ-SECBINFHSA-N 2 2 197.282 1.314 10 0 ADAELP CCn1c[nH+]c([C@H](C)[C@H](C)C[NH2+]C)c1 308566738 573381567 /nfs/dbraw/zinc/38/15/67/573381567.db2.gz YTEDEZGOOWJNKA-NXEZZACHSA-N 2 2 195.310 1.862 10 0 ADAELP CC[C@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 83057916 573382760 /nfs/dbraw/zinc/38/27/60/573382760.db2.gz NGGBCAYZYCDYNQ-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H](C1CC1)[N@H+]1CCC[NH2+]CC1 83057916 573382766 /nfs/dbraw/zinc/38/27/66/573382766.db2.gz NGGBCAYZYCDYNQ-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H](CCOC)[NH2+]Cc1c[nH+]c[nH]1 308567369 573384858 /nfs/dbraw/zinc/38/48/58/573384858.db2.gz BBYNUNGOKBKDIZ-VIFPVBQESA-N 2 2 197.282 1.314 10 0 ADAELP CCn1c[nH+]c(CC[C@@H]([NH3+])C2CC2)c1 308567168 573385163 /nfs/dbraw/zinc/38/51/63/573385163.db2.gz YXPSQPXLGNATHC-LLVKDONJSA-N 2 2 193.294 1.573 10 0 ADAELP Cc1ccc(NCC[NH3+])[nH+]c1C 107160895 573387627 /nfs/dbraw/zinc/38/76/27/573387627.db2.gz AVFAOBDWBLMWPL-UHFFFAOYSA-N 2 2 165.240 1.069 10 0 ADAELP Cc1[nH+]c(C)n2c1[C@H]([NH3+])CCC2 107160804 573387534 /nfs/dbraw/zinc/38/75/34/573387534.db2.gz KLRCMPZFAYIHHQ-MRVPVSSYSA-N 2 2 165.240 1.294 10 0 ADAELP CC[C@@H](C[NH3+])Nc1cc[nH+]c(OC)c1 133245057 573389233 /nfs/dbraw/zinc/38/92/33/573389233.db2.gz XGZHVGMUCMUJBM-QMMMGPOBSA-N 2 2 195.266 1.239 10 0 ADAELP CC(C)C[NH2+][C@H](C)C[NH+](C)C 135597041 573389534 /nfs/dbraw/zinc/38/95/34/573389534.db2.gz WIZWZYYLUUGFNZ-SECBINFHSA-N 2 2 158.289 1.182 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1CCC[NH2+]1 235588338 573389547 /nfs/dbraw/zinc/38/95/47/573389547.db2.gz SIVHDQKKXLPOIU-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@@H+](C)C[C@@H]1CCC[NH2+]1 235588338 573389554 /nfs/dbraw/zinc/38/95/54/573389554.db2.gz SIVHDQKKXLPOIU-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]CC[NH+]1CCC(C(C)(C)C)CC1 50346739 573389648 /nfs/dbraw/zinc/38/96/48/573389648.db2.gz MCIDAEPKXOGQTD-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP Cc1[nH+]cn2c1[C@H](C[NH3+])CCC2 107160844 573389705 /nfs/dbraw/zinc/38/97/05/573389705.db2.gz WONACONCWDZRPL-QMMMGPOBSA-N 2 2 165.240 1.028 10 0 ADAELP CC[N@@H+]1CCCC[C@H]1C1([NH3+])CCC1 258012471 573389858 /nfs/dbraw/zinc/38/98/58/573389858.db2.gz MYMCJXHMPKTKNH-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP CC[N@H+]1CCCC[C@H]1C1([NH3+])CCC1 258012471 573389865 /nfs/dbraw/zinc/38/98/65/573389865.db2.gz MYMCJXHMPKTKNH-JTQLQIEISA-N 2 2 182.311 1.742 10 0 ADAELP Cc1[nH+]cn2c1[C@@H](C[NH3+])CCC2 107160841 573390812 /nfs/dbraw/zinc/39/08/12/573390812.db2.gz WONACONCWDZRPL-MRVPVSSYSA-N 2 2 165.240 1.028 10 0 ADAELP CC[C@H](C[NH3+])Nc1cc[nH+]c(OC)c1 133245290 573391222 /nfs/dbraw/zinc/39/12/22/573391222.db2.gz XGZHVGMUCMUJBM-MRVPVSSYSA-N 2 2 195.266 1.239 10 0 ADAELP COc1cc(NCC[C@@H](C)[NH3+])cc[nH+]1 133236973 573391631 /nfs/dbraw/zinc/39/16/31/573391631.db2.gz CQHAVQYTLHSVEX-MRVPVSSYSA-N 2 2 195.266 1.239 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1C[N@H+](C)C1CC1 235588209 573391707 /nfs/dbraw/zinc/39/17/07/573391707.db2.gz VRVFEMFUNFYFQR-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1C[N@@H+](C)C1CC1 235588209 573391713 /nfs/dbraw/zinc/39/17/13/573391713.db2.gz VRVFEMFUNFYFQR-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+]Cc1ccc2[nH+]c(C)cn2c1 107164626 573391943 /nfs/dbraw/zinc/39/19/43/573391943.db2.gz KEVIDYOIRHGSLU-UHFFFAOYSA-N 2 2 175.235 1.362 10 0 ADAELP [NH3+][C@H](c1cc(F)ccc1F)C1C[NH2+]C1 259094256 573391994 /nfs/dbraw/zinc/39/19/94/573391994.db2.gz AOHRHLPZDMNWAF-JTQLQIEISA-N 2 2 198.216 1.184 10 0 ADAELP C[C@H]1C[N@@H+](C(C)(C)C)CCC[NH2+]1 83091259 573392982 /nfs/dbraw/zinc/39/29/82/573392982.db2.gz QIWYVAKFIPMJFQ-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]1C[N@H+](C(C)(C)C)CCC[NH2+]1 83091259 573392988 /nfs/dbraw/zinc/39/29/88/573392988.db2.gz QIWYVAKFIPMJFQ-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CC1(C)C[N@H+](C(C)(C)C)CCC[NH2+]1 83091235 573393010 /nfs/dbraw/zinc/39/30/10/573393010.db2.gz JPCLHYUKEZOTAL-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP CC1(C)C[N@@H+](C(C)(C)C)CCC[NH2+]1 83091235 573393014 /nfs/dbraw/zinc/39/30/14/573393014.db2.gz JPCLHYUKEZOTAL-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]1C[C@@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 83093079 573393326 /nfs/dbraw/zinc/39/33/26/573393326.db2.gz OYBCSTYDDYVGFC-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 83093079 573393332 /nfs/dbraw/zinc/39/33/32/573393332.db2.gz OYBCSTYDDYVGFC-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H](c1cccs1)[C@@H](C)[NH3+] 259437152 573393396 /nfs/dbraw/zinc/39/33/96/573393396.db2.gz NMGZIDGRJUIHJY-HTRCEHHLSA-N 2 2 170.281 1.356 10 0 ADAELP C[C@H]1C[N@H+](CC(C)(C)C)CCC[NH2+]1 83092493 573393448 /nfs/dbraw/zinc/39/34/48/573393448.db2.gz IUTAAHQFNBAMCB-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1C[N@@H+](CC(C)(C)C)CCC[NH2+]1 83092493 573393454 /nfs/dbraw/zinc/39/34/54/573393454.db2.gz IUTAAHQFNBAMCB-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 83091459 573395087 /nfs/dbraw/zinc/39/50/87/573395087.db2.gz ZLILQBNXEIEVIO-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH2+][C@H](C2CC2)C1 83091459 573395093 /nfs/dbraw/zinc/39/50/93/573395093.db2.gz ZLILQBNXEIEVIO-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]Cc1ccn2cc(C)[nH+]c2c1 107164634 573395097 /nfs/dbraw/zinc/39/50/97/573395097.db2.gz NNYMQIARQVGDLQ-UHFFFAOYSA-N 2 2 175.235 1.362 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 83091456 573394221 /nfs/dbraw/zinc/39/42/21/573394221.db2.gz ZLILQBNXEIEVIO-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH2+][C@H](C2CC2)C1 83091456 573394226 /nfs/dbraw/zinc/39/42/26/573394226.db2.gz ZLILQBNXEIEVIO-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@H+](CC2CCC2)CCC[NH2+]1 83091929 573394574 /nfs/dbraw/zinc/39/45/74/573394574.db2.gz GXENFBGSUGNXJU-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1C[N@@H+](CC2CCC2)CCC[NH2+]1 83091929 573394578 /nfs/dbraw/zinc/39/45/78/573394578.db2.gz GXENFBGSUGNXJU-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CCC[NH2+][C@@H](C)C1 83093811 573394638 /nfs/dbraw/zinc/39/46/38/573394638.db2.gz IXENDCSLELRLDU-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CCC[NH2+][C@@H](C)C1 83093811 573394641 /nfs/dbraw/zinc/39/46/41/573394641.db2.gz IXENDCSLELRLDU-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H]1C[N@H+](CC2CCC2)CCC[NH2+]1 83091927 573394772 /nfs/dbraw/zinc/39/47/72/573394772.db2.gz GXENFBGSUGNXJU-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1C[N@@H+](CC2CCC2)CCC[NH2+]1 83091927 573394778 /nfs/dbraw/zinc/39/47/78/573394778.db2.gz GXENFBGSUGNXJU-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[N@H+](CC2CCC2)CCC[NH2+]1 83091938 573394813 /nfs/dbraw/zinc/39/48/13/573394813.db2.gz NSNPGFSGXMMLJU-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[N@@H+](CC2CCC2)CCC[NH2+]1 83091938 573394818 /nfs/dbraw/zinc/39/48/18/573394818.db2.gz NSNPGFSGXMMLJU-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CC1(C)C[N@H+](CC2CCC2)CCC[NH2+]1 83091911 573394852 /nfs/dbraw/zinc/39/48/52/573394852.db2.gz NKTYWBUIXCAWFL-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)C[N@@H+](CC2CCC2)CCC[NH2+]1 83091911 573394856 /nfs/dbraw/zinc/39/48/56/573394856.db2.gz NKTYWBUIXCAWFL-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CCC(C)(C)[N@@H+]1CCC[NH2+][C@@H](C)C1 83091654 573394904 /nfs/dbraw/zinc/39/49/04/573394904.db2.gz CYORDOFTYCGVIA-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@H+]1CCC[NH2+][C@@H](C)C1 83091654 573394908 /nfs/dbraw/zinc/39/49/08/573394908.db2.gz CYORDOFTYCGVIA-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1C[N@@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092884 573394941 /nfs/dbraw/zinc/39/49/41/573394941.db2.gz VDFIXELLMQUZBN-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092884 573394945 /nfs/dbraw/zinc/39/49/45/573394945.db2.gz VDFIXELLMQUZBN-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](C(C)(C)C)CCC[NH2+]1 83091258 573394968 /nfs/dbraw/zinc/39/49/68/573394968.db2.gz QIWYVAKFIPMJFQ-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C(C)(C)C)CCC[NH2+]1 83091258 573394971 /nfs/dbraw/zinc/39/49/71/573394971.db2.gz QIWYVAKFIPMJFQ-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]1C[C@@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 83093081 573394994 /nfs/dbraw/zinc/39/49/94/573394994.db2.gz OYBCSTYDDYVGFC-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 83093081 573395001 /nfs/dbraw/zinc/39/50/01/573395001.db2.gz OYBCSTYDDYVGFC-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+](C(C)(C)C)CCCC[NH2+]1 259438181 573395041 /nfs/dbraw/zinc/39/50/41/573395041.db2.gz OJHXYECQBASMCZ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1C[N@H+](C(C)(C)C)CCCC[NH2+]1 259438181 573395046 /nfs/dbraw/zinc/39/50/46/573395046.db2.gz OJHXYECQBASMCZ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP Cc1cc(O)ccc1[NH2+]CCCC[NH3+] 259440063 573400577 /nfs/dbraw/zinc/40/05/77/573400577.db2.gz KZRZLFCMINMKGD-UHFFFAOYSA-N 2 2 194.278 1.851 10 0 ADAELP CC(C)Cc1cn2c([nH+]1)CCC[C@H]2[NH3+] 258644808 573400639 /nfs/dbraw/zinc/40/06/39/573400639.db2.gz WUNGRJAHDZFZCW-JTQLQIEISA-N 2 2 193.294 1.875 10 0 ADAELP C[NH2+]C[C@@]1(C(C)C)CCCC[N@@H+]1C 258643844 573401935 /nfs/dbraw/zinc/40/19/35/573401935.db2.gz KJSKQJSGZLAYAK-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@@]1(C(C)C)CCCC[N@H+]1C 258643844 573401941 /nfs/dbraw/zinc/40/19/41/573401941.db2.gz KJSKQJSGZLAYAK-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H]1C[N@@H+](C2CCC2)CCC[NH2+]1 83106100 573401962 /nfs/dbraw/zinc/40/19/62/573401962.db2.gz NLVJFXGSIXZQNZ-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]1C[N@H+](C2CCC2)CCC[NH2+]1 83106100 573401967 /nfs/dbraw/zinc/40/19/67/573401967.db2.gz NLVJFXGSIXZQNZ-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CCc2[nH]cc[nH+]2)C[C@H]1C 308571261 573402108 /nfs/dbraw/zinc/40/21/08/573402108.db2.gz KJNWEIRDUXQUPK-UTLUCORTSA-N 2 2 193.294 1.586 10 0 ADAELP [NH3+][C@@H](c1ccc(F)cc1)C1([NH3+])CC1 259441070 573402347 /nfs/dbraw/zinc/40/23/47/573402347.db2.gz NPKRKSPTWNIYAN-VIFPVBQESA-N 2 2 180.226 1.317 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCc2[nH]cc[nH+]2)[C@@H]1C 308571257 573402502 /nfs/dbraw/zinc/40/25/02/573402502.db2.gz KJNWEIRDUXQUPK-BBBLOLIVSA-N 2 2 193.294 1.586 10 0 ADAELP CC[NH2+][C@H]1CCC[N@H+](CCCF)C1 133447883 573403242 /nfs/dbraw/zinc/40/32/42/573403242.db2.gz XYGRNIRUICHOFG-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP Cc1cc(C)[nH+]c(N[C@H]2CC[NH2+]C2)c1 107177902 573403142 /nfs/dbraw/zinc/40/31/42/573403142.db2.gz XBPKSIGZIAUWPI-JTQLQIEISA-N 2 2 191.278 1.472 10 0 ADAELP CC[NH2+][C@H]1CCC[N@@H+](CCCF)C1 133447883 573403250 /nfs/dbraw/zinc/40/32/50/573403250.db2.gz XYGRNIRUICHOFG-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP COc1ccc([C@](C)([NH3+])C[NH3+])cc1C 259096064 573403330 /nfs/dbraw/zinc/40/33/30/573403330.db2.gz PQBXLWBWGHBDNC-LLVKDONJSA-N 2 2 194.278 1.136 10 0 ADAELP CCC[C@H](C[NH3+])n1c[nH+]cc1COC 308576036 573403698 /nfs/dbraw/zinc/40/36/98/573403698.db2.gz HJJFRWKTJROAAM-SECBINFHSA-N 2 2 197.282 1.329 10 0 ADAELP C[NH2+]C[C@]1(C(C)C)CCCC[N@@H+]1C 258643849 573403713 /nfs/dbraw/zinc/40/37/13/573403713.db2.gz KJSKQJSGZLAYAK-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@]1(C(C)C)CCCC[N@H+]1C 258643849 573403719 /nfs/dbraw/zinc/40/37/19/573403719.db2.gz KJSKQJSGZLAYAK-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@H+](CCCF)C1 133447700 573403857 /nfs/dbraw/zinc/40/38/57/573403857.db2.gz XYGRNIRUICHOFG-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@@H+](CCCF)C1 133447700 573403864 /nfs/dbraw/zinc/40/38/64/573403864.db2.gz XYGRNIRUICHOFG-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2nccs2)C1 86399694 573404845 /nfs/dbraw/zinc/40/48/45/573404845.db2.gz CFJHMZFYLPLRNW-SFYZADRCSA-N 2 2 197.307 1.113 10 0 ADAELP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2cscn2)C1 86400646 573404550 /nfs/dbraw/zinc/40/45/50/573404550.db2.gz XAXSGFDSLLTRIK-SFYZADRCSA-N 2 2 197.307 1.113 10 0 ADAELP C[C@H]1C[N@@H+](C2CCC2)CCC[NH2+]1 83099791 573404594 /nfs/dbraw/zinc/40/45/94/573404594.db2.gz GXAUFQDRAXRQBG-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1C[N@H+](C2CCC2)CCC[NH2+]1 83099791 573404599 /nfs/dbraw/zinc/40/45/99/573404599.db2.gz GXAUFQDRAXRQBG-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H](C[NH3+])Nc1ccc2c([nH+]1)CCC2 107177894 573404681 /nfs/dbraw/zinc/40/46/81/573404681.db2.gz CHQPPBDGAKOZTB-QMMMGPOBSA-N 2 2 191.278 1.329 10 0 ADAELP COc1ccc([C@@](C)([NH3+])C[NH3+])cc1C 259096065 573404736 /nfs/dbraw/zinc/40/47/36/573404736.db2.gz PQBXLWBWGHBDNC-NSHDSACASA-N 2 2 194.278 1.136 10 0 ADAELP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2cscn2)C1 86400644 573404775 /nfs/dbraw/zinc/40/47/75/573404775.db2.gz XAXSGFDSLLTRIK-HTQZYQBOSA-N 2 2 197.307 1.113 10 0 ADAELP CCC[C@@H](C[NH3+])n1c[nH+]cc1COC 308576037 573408220 /nfs/dbraw/zinc/40/82/20/573408220.db2.gz HJJFRWKTJROAAM-VIFPVBQESA-N 2 2 197.282 1.329 10 0 ADAELP [NH3+][C@H]1CC[C@H]([NH2+]Cc2nccs2)C1 86399690 573407587 /nfs/dbraw/zinc/40/75/87/573407587.db2.gz CFJHMZFYLPLRNW-YUMQZZPRSA-N 2 2 197.307 1.113 10 0 ADAELP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2cscn2)C1 86400640 573408295 /nfs/dbraw/zinc/40/82/95/573408295.db2.gz XAXSGFDSLLTRIK-JGVFFNPUSA-N 2 2 197.307 1.113 10 0 ADAELP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2nccs2)C1 86399688 573408356 /nfs/dbraw/zinc/40/83/56/573408356.db2.gz CFJHMZFYLPLRNW-JGVFFNPUSA-N 2 2 197.307 1.113 10 0 ADAELP CC[NH2+]CCn1c[nH+]cc1C(C)(C)C 133503901 573408683 /nfs/dbraw/zinc/40/86/83/573408683.db2.gz KEVGZRWFRWHJQQ-UHFFFAOYSA-N 2 2 195.310 1.790 10 0 ADAELP Cc1c[nH+]ccc1C[C@@H]1CCC[NH2+]C1 259096999 573409803 /nfs/dbraw/zinc/40/98/03/573409803.db2.gz DPBHEJVFHPEQTE-NSHDSACASA-N 2 2 190.290 1.932 10 0 ADAELP FC(F)CC[NH2+]C[C@@H]1CCCC[NH2+]1 308385510 573411505 /nfs/dbraw/zinc/41/15/05/573411505.db2.gz UCJWXUZSAMZZMS-QMMMGPOBSA-N 2 2 192.253 1.373 10 0 ADAELP Cc1[nH+]cccc1N[C@@H]1CC[C@H]([NH3+])C1 86401353 573411821 /nfs/dbraw/zinc/41/18/21/573411821.db2.gz TXTQIGHEFYQFLU-VHSXEESVSA-N 2 2 191.278 1.682 10 0 ADAELP CC(C)c1c[nH]c(CC2C[NH2+]C2)[nH+]1 257811187 573414497 /nfs/dbraw/zinc/41/44/97/573414497.db2.gz AYUMNHCMOXJHET-UHFFFAOYSA-N 2 2 179.267 1.295 10 0 ADAELP Nc1[nH+]cccc1C/C=C\CC[NH3+] 211663793 573413266 /nfs/dbraw/zinc/41/32/66/573413266.db2.gz WUXOOPODHTZTHC-UPHRSURJSA-N 2 2 177.251 1.111 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 235592647 573413576 /nfs/dbraw/zinc/41/35/76/573413576.db2.gz MAIVLFJUGBGYPH-WDEREUQCSA-N 2 2 182.311 1.635 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 235592647 573413582 /nfs/dbraw/zinc/41/35/82/573413582.db2.gz MAIVLFJUGBGYPH-WDEREUQCSA-N 2 2 182.311 1.635 10 0 ADAELP C/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 308577164 573413920 /nfs/dbraw/zinc/41/39/20/573413920.db2.gz DXMSLOGUQBBWPQ-LBQOUHFTSA-N 2 2 194.322 1.779 10 0 ADAELP C/C=C(/C)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 308577164 573413925 /nfs/dbraw/zinc/41/39/25/573413925.db2.gz DXMSLOGUQBBWPQ-LBQOUHFTSA-N 2 2 194.322 1.779 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H](Oc2cc[nH+]cc2)C1 86408789 573414596 /nfs/dbraw/zinc/41/45/96/573414596.db2.gz SHAHEOYRZKPQPA-MWLCHTKSSA-N 2 2 192.262 1.730 10 0 ADAELP [NH3+]C1(COCc2[nH]cc[nH+]2)CCCC1 308579284 573415806 /nfs/dbraw/zinc/41/58/06/573415806.db2.gz OGYZFDGTXFGJNS-UHFFFAOYSA-N 2 2 195.266 1.198 10 0 ADAELP [NH3+][C@H]1CCC[C@@H](Oc2cc[nH+]cc2)C1 86408785 573418530 /nfs/dbraw/zinc/41/85/30/573418530.db2.gz SHAHEOYRZKPQPA-GXSJLCMTSA-N 2 2 192.262 1.730 10 0 ADAELP C/C=C\CC[NH2+]CCc1[nH+]ccn1C 308388064 573418107 /nfs/dbraw/zinc/41/81/07/573418107.db2.gz SHQZSMCGMXQBCZ-ARJAWSKDSA-N 2 2 193.294 1.518 10 0 ADAELP Cc1cccc([C@]2(C[NH3+])CC[NH2+]2)c1 258334857 573420069 /nfs/dbraw/zinc/42/00/69/573420069.db2.gz VBWIADOCWRTPEA-LLVKDONJSA-N 2 2 176.263 1.142 10 0 ADAELP C[C@H]([NH3+])Cc1[nH+]ccn1C1CC1 107221728 573422204 /nfs/dbraw/zinc/42/22/04/573422204.db2.gz CVRGCVREBQWSTP-ZETCQYMHSA-N 2 2 165.240 1.108 10 0 ADAELP Cc1[nH+]cc(C[NH2+]C2CCC2)n1C 258019735 573422499 /nfs/dbraw/zinc/42/24/99/573422499.db2.gz DDPZKXMQZHULGU-UHFFFAOYSA-N 2 2 179.267 1.371 10 0 ADAELP CC(C)[N@@H+]1CC=C(C[NH+](C)C)C1 258024534 573422870 /nfs/dbraw/zinc/42/28/70/573422870.db2.gz JQVIRLLPVILIJW-UHFFFAOYSA-N 2 2 168.284 1.198 10 0 ADAELP CC(C)[N@H+]1CC=C(C[NH+](C)C)C1 258024534 573422876 /nfs/dbraw/zinc/42/28/76/573422876.db2.gz JQVIRLLPVILIJW-UHFFFAOYSA-N 2 2 168.284 1.198 10 0 ADAELP C[C@]1(C[NH3+])CCC[C@H]2CCCC[N@@H+]21 257811428 573425378 /nfs/dbraw/zinc/42/53/78/573425378.db2.gz BAZDHAFKYDJLGO-GHMZBOCLSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@]1(C[NH3+])CCC[C@H]2CCCC[N@H+]21 257811428 573425381 /nfs/dbraw/zinc/42/53/81/573425381.db2.gz BAZDHAFKYDJLGO-GHMZBOCLSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@@H](C)C2CCC2)C1 124327233 573425569 /nfs/dbraw/zinc/42/55/69/573425569.db2.gz WVAHPBULOYXXAT-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@@H](C)C2CCC2)C1 124327233 573425572 /nfs/dbraw/zinc/42/55/72/573425572.db2.gz WVAHPBULOYXXAT-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP Cn1cc[nH+]c1C/C=C1\CCC[NH2+]C1 308389756 573425820 /nfs/dbraw/zinc/42/58/20/573425820.db2.gz ZZJSURJMOOYURN-ONNFQVAWSA-N 2 2 191.278 1.272 10 0 ADAELP C[C@@H]([NH3+])Cc1[nH+]ccn1C1CC1 107221732 573425846 /nfs/dbraw/zinc/42/58/46/573425846.db2.gz CVRGCVREBQWSTP-SSDOTTSWSA-N 2 2 165.240 1.108 10 0 ADAELP [NH3+]Cc1c[nH+]c([C@@H]2CCCSC2)[nH]1 258029772 573427871 /nfs/dbraw/zinc/42/78/71/573427871.db2.gz IMPAZUPTQOVVKO-SSDOTTSWSA-N 2 2 197.307 1.479 10 0 ADAELP C[C@@]1(C[NH3+])CCC[C@H]2CCCC[N@@H+]21 257811429 573428074 /nfs/dbraw/zinc/42/80/74/573428074.db2.gz BAZDHAFKYDJLGO-MNOVXSKESA-N 2 2 182.311 1.742 10 0 ADAELP C[C@@]1(C[NH3+])CCC[C@H]2CCCC[N@H+]21 257811429 573428082 /nfs/dbraw/zinc/42/80/82/573428082.db2.gz BAZDHAFKYDJLGO-MNOVXSKESA-N 2 2 182.311 1.742 10 0 ADAELP CC[N@H+](CCSC)[C@@H]1CC[NH2+]C1 129999306 573428235 /nfs/dbraw/zinc/42/82/35/573428235.db2.gz CUUCVKIVXZZYSI-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP CC[N@@H+](CCSC)[C@@H]1CC[NH2+]C1 129999306 573428240 /nfs/dbraw/zinc/42/82/40/573428240.db2.gz CUUCVKIVXZZYSI-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1(C)C 107224004 573428386 /nfs/dbraw/zinc/42/83/86/573428386.db2.gz JGINHYJMLQPCLV-SECBINFHSA-N 2 2 168.284 1.221 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+]C2CC2)C1(C)C 107224004 573428391 /nfs/dbraw/zinc/42/83/91/573428391.db2.gz JGINHYJMLQPCLV-SECBINFHSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@H]1[C@H]([NH2+]C2CC2)CC[N@@H+]1C 107223978 573428642 /nfs/dbraw/zinc/42/86/42/573428642.db2.gz JKVUFHCZTXEKAK-ZJUUUORDSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@H]1[C@H]([NH2+]C2CC2)CC[N@H+]1C 107223978 573428646 /nfs/dbraw/zinc/42/86/46/573428646.db2.gz JKVUFHCZTXEKAK-ZJUUUORDSA-N 2 2 168.284 1.221 10 0 ADAELP Cc1ccsc1[C@@H]([NH3+])C(C)(C)[NH3+] 259447703 573428748 /nfs/dbraw/zinc/42/87/48/573428748.db2.gz QHEQJGDCYIAQOI-MRVPVSSYSA-N 2 2 184.308 1.794 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+]C2CC2)C1(C)C 107224007 573429386 /nfs/dbraw/zinc/42/93/86/573429386.db2.gz JGINHYJMLQPCLV-VIFPVBQESA-N 2 2 168.284 1.221 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+]C2CC2)C1(C)C 107224007 573429390 /nfs/dbraw/zinc/42/93/90/573429390.db2.gz JGINHYJMLQPCLV-VIFPVBQESA-N 2 2 168.284 1.221 10 0 ADAELP CC1=[NH+]C[C@@H](C)[NH2+]C(C)(C)C1 238392982 573429587 /nfs/dbraw/zinc/42/95/87/573429587.db2.gz UVHCXZDIDPLMLG-MRVPVSSYSA-N 2 2 154.257 1.608 10 0 ADAELP C[C@H]1[C@@H]([NH2+]C2CC2)CCC[N@H+]1C 107223998 573433549 /nfs/dbraw/zinc/43/35/49/573433549.db2.gz RECGCTUDYWKGRL-WPRPVWTQSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+](C2CC2)[C@@H]1C 107224034 573431804 /nfs/dbraw/zinc/43/18/04/573431804.db2.gz QUVKWMHFEJPGCW-SCZZXKLOSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](C2CC2)[C@@H]1C 107224034 573431809 /nfs/dbraw/zinc/43/18/09/573431809.db2.gz QUVKWMHFEJPGCW-SCZZXKLOSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@@H]1[C@H]([NH2+]C2CC2)CC[N@@H+]1C 107223975 573431893 /nfs/dbraw/zinc/43/18/93/573431893.db2.gz JKVUFHCZTXEKAK-NXEZZACHSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@@H]1[C@H]([NH2+]C2CC2)CC[N@H+]1C 107223975 573431897 /nfs/dbraw/zinc/43/18/97/573431897.db2.gz JKVUFHCZTXEKAK-NXEZZACHSA-N 2 2 168.284 1.221 10 0 ADAELP Cc1cccc2c1[C@H](C[NH3+])[NH2+]CC2 257812045 573432679 /nfs/dbraw/zinc/43/26/79/573432679.db2.gz BKQOUGQSXDNXEC-JTQLQIEISA-N 2 2 176.263 1.141 10 0 ADAELP CC[C@@H]1[C@@H]([NH2+]C2CC2)CC[N@@H+]1C 107223981 573432723 /nfs/dbraw/zinc/43/27/23/573432723.db2.gz JKVUFHCZTXEKAK-VHSXEESVSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@@H]1[C@@H]([NH2+]C2CC2)CC[N@H+]1C 107223981 573432733 /nfs/dbraw/zinc/43/27/33/573432733.db2.gz JKVUFHCZTXEKAK-VHSXEESVSA-N 2 2 168.284 1.221 10 0 ADAELP Cc1cccc2c1[C@@H](C[NH3+])[NH2+]CC2 257812046 573432760 /nfs/dbraw/zinc/43/27/60/573432760.db2.gz BKQOUGQSXDNXEC-SNVBAGLBSA-N 2 2 176.263 1.141 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)NC1=[NH+]CCC1 86455033 573432867 /nfs/dbraw/zinc/43/28/67/573432867.db2.gz KPWUQLOUUUEDQT-VIFPVBQESA-N 2 2 192.266 1.054 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+](C2CC2)[C@H]1C 107224031 573433056 /nfs/dbraw/zinc/43/30/56/573433056.db2.gz QUVKWMHFEJPGCW-WCBMZHEXSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+](C2CC2)[C@H]1C 107224031 573433063 /nfs/dbraw/zinc/43/30/63/573433063.db2.gz QUVKWMHFEJPGCW-WCBMZHEXSA-N 2 2 168.284 1.221 10 0 ADAELP c1[nH]c(C2CCC2)[nH+]c1[C@H]1CC[NH2+]C1 257811805 573433083 /nfs/dbraw/zinc/43/30/83/573433083.db2.gz BIPQMVXMDROMRM-VIFPVBQESA-N 2 2 191.278 1.754 10 0 ADAELP C[C@@H]1[C@H]([NH2+]C2CC2)CCC[N@@H+]1C 107223989 573433434 /nfs/dbraw/zinc/43/34/34/573433434.db2.gz RECGCTUDYWKGRL-PSASIEDQSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[C@H]([NH2+]C2CC2)CCC[N@H+]1C 107223989 573433443 /nfs/dbraw/zinc/43/34/43/573433443.db2.gz RECGCTUDYWKGRL-PSASIEDQSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1[C@@H]([NH2+]C2CC2)CCC[N@@H+]1C 107223998 573433548 /nfs/dbraw/zinc/43/35/48/573433548.db2.gz RECGCTUDYWKGRL-WPRPVWTQSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)NC1=[NH+]CCC1 86455034 573433950 /nfs/dbraw/zinc/43/39/50/573433950.db2.gz KPWUQLOUUUEDQT-SECBINFHSA-N 2 2 192.266 1.054 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+](C2CC2)[C@@H]1C 107224030 573435095 /nfs/dbraw/zinc/43/50/95/573435095.db2.gz QUVKWMHFEJPGCW-PSASIEDQSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+](C2CC2)[C@@H]1C 107224030 573435100 /nfs/dbraw/zinc/43/51/00/573435100.db2.gz QUVKWMHFEJPGCW-PSASIEDQSA-N 2 2 168.284 1.221 10 0 ADAELP Cc1[nH]c(C2C[NH2+]C2)[nH+]c1CC(C)C 257812574 573435513 /nfs/dbraw/zinc/43/55/13/573435513.db2.gz BUUOAXUZJIIGCK-UHFFFAOYSA-N 2 2 193.294 1.603 10 0 ADAELP Cc1[nH+]c(C2C[NH2+]C2)[nH]c1CC(C)C 257812574 573435519 /nfs/dbraw/zinc/43/55/19/573435519.db2.gz BUUOAXUZJIIGCK-UHFFFAOYSA-N 2 2 193.294 1.603 10 0 ADAELP Cc1ccc2c(c1)CC[NH2+][C@H]2C[NH3+] 257812740 573437547 /nfs/dbraw/zinc/43/75/47/573437547.db2.gz BUMHNLNNLIBFOF-NSHDSACASA-N 2 2 176.263 1.141 10 0 ADAELP CCc1[nH]c(C[C@@H]2CCC[NH2+]C2)c[nH+]1 257813344 573437803 /nfs/dbraw/zinc/43/78/03/573437803.db2.gz CCTNRVSEKDFPJE-VIFPVBQESA-N 2 2 193.294 1.514 10 0 ADAELP Cc1ccoc1C[N@H+](C)CC1C[NH2+]C1 308582431 573437860 /nfs/dbraw/zinc/43/78/60/573437860.db2.gz QALFCKRAHBJNGC-UHFFFAOYSA-N 2 2 194.278 1.239 10 0 ADAELP Cc1ccoc1C[N@@H+](C)CC1C[NH2+]C1 308582431 573437867 /nfs/dbraw/zinc/43/78/67/573437867.db2.gz QALFCKRAHBJNGC-UHFFFAOYSA-N 2 2 194.278 1.239 10 0 ADAELP C1C[NH2+][C@H]2C[N@H+](C3CC3)CC[C@H]2C1 107228001 573438231 /nfs/dbraw/zinc/43/82/31/573438231.db2.gz JHTFTQXMLMGMDE-KOLCDFICSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[NH2+][C@H]2C[N@@H+](C3CC3)CC[C@H]2C1 107228001 573438239 /nfs/dbraw/zinc/43/82/39/573438239.db2.gz JHTFTQXMLMGMDE-KOLCDFICSA-N 2 2 180.295 1.223 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccccc1F 259451388 573438468 /nfs/dbraw/zinc/43/84/68/573438468.db2.gz QMMDXASNNIEURR-SNVBAGLBSA-N 2 2 182.242 1.435 10 0 ADAELP CCc1[nH]c(C[C@H]2CCC[NH2+]C2)c[nH+]1 257813343 573439565 /nfs/dbraw/zinc/43/95/65/573439565.db2.gz CCTNRVSEKDFPJE-SECBINFHSA-N 2 2 193.294 1.514 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CCC[C@H]2CC[N@@H+]1C1CC1 107235887 573441186 /nfs/dbraw/zinc/44/11/86/573441186.db2.gz JDBDYGORMHCBCC-JFGNBEQYSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CCC[C@H]2CC[N@H+]1C1CC1 107235887 573441190 /nfs/dbraw/zinc/44/11/90/573441190.db2.gz JDBDYGORMHCBCC-JFGNBEQYSA-N 2 2 194.322 1.611 10 0 ADAELP C[NH+](C)C[C@]1(C2CCC2)CCC[NH2+]1 258651747 573441342 /nfs/dbraw/zinc/44/13/42/573441342.db2.gz KVKRKGPLKHTKJJ-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CC[N@@H+]1C1CC1 107235895 573441634 /nfs/dbraw/zinc/44/16/34/573441634.db2.gz JDBDYGORMHCBCC-SCVCMEIPSA-N 2 2 194.322 1.611 10 0 ADAELP C[NH+](C)C[C@@]1(C2CCC2)CCC[NH2+]1 258651743 573441487 /nfs/dbraw/zinc/44/14/87/573441487.db2.gz KVKRKGPLKHTKJJ-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])s1 126257031 573442575 /nfs/dbraw/zinc/44/25/75/573442575.db2.gz BBILTZGDGYLJJW-HTRCEHHLSA-N 2 2 199.323 1.449 10 0 ADAELP CCc1ccc(C[NH2+]CC[NH3+])s1 50523102 573442577 /nfs/dbraw/zinc/44/25/77/573442577.db2.gz RPZLEFBFGQIZFW-UHFFFAOYSA-N 2 2 184.308 1.359 10 0 ADAELP Cc1ccoc1C[NH2+]C[C@H]([NH3+])C(C)C 308587380 573443035 /nfs/dbraw/zinc/44/30/35/573443035.db2.gz SULMXZMNOXFBRY-JTQLQIEISA-N 2 2 196.294 1.661 10 0 ADAELP C[NH+](C)CC[C@]1(C)[NH2+]C(C)(C)CO1 258355462 573442728 /nfs/dbraw/zinc/44/27/28/573442728.db2.gz FZTGENJBGJWAET-SNVBAGLBSA-N 2 2 186.299 1.053 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccccc1F 259451386 573443833 /nfs/dbraw/zinc/44/38/33/573443833.db2.gz QMMDXASNNIEURR-JTQLQIEISA-N 2 2 182.242 1.435 10 0 ADAELP Cc1ccoc1C[NH2+]C[C@@H]([NH3+])C(C)C 308587381 573444205 /nfs/dbraw/zinc/44/42/05/573444205.db2.gz SULMXZMNOXFBRY-SNVBAGLBSA-N 2 2 196.294 1.661 10 0 ADAELP CC(C)[C@]1(C[NH+](C)C)CCCC[NH2+]1 258355565 573445676 /nfs/dbraw/zinc/44/56/76/573445676.db2.gz YWOZBQYYTUFVLY-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1[nH+]c(C2CC2)[nH]c1[C@H]1CC[NH2+]C1 257816384 573447106 /nfs/dbraw/zinc/44/71/06/573447106.db2.gz DKGQAPAQMVYUHV-VIFPVBQESA-N 2 2 191.278 1.672 10 0 ADAELP Cc1[nH]c(C2CC2)[nH+]c1[C@H]1CC[NH2+]C1 257816384 573447112 /nfs/dbraw/zinc/44/71/12/573447112.db2.gz DKGQAPAQMVYUHV-VIFPVBQESA-N 2 2 191.278 1.672 10 0 ADAELP C[NH2+][C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] 259449572 573447187 /nfs/dbraw/zinc/44/71/87/573447187.db2.gz NZUMCYMEAUMGNG-XCBNKYQSSA-N 2 2 182.242 1.433 10 0 ADAELP [NH3+]C[C@H](F)c1c[nH+]c2ccccn12 107255567 573447371 /nfs/dbraw/zinc/44/73/71/573447371.db2.gz AMYKKVXJBQVLKP-ZETCQYMHSA-N 2 2 179.198 1.304 10 0 ADAELP C[NH2+][C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] 259449570 573447429 /nfs/dbraw/zinc/44/74/29/573447429.db2.gz NZUMCYMEAUMGNG-GMSGAONNSA-N 2 2 182.242 1.433 10 0 ADAELP C/C=C/C[N@@H+](C)[C@H](C)C[NH2+]C1CC1 714691971 573449696 /nfs/dbraw/zinc/44/96/96/573449696.db2.gz IIGZJDWFKNMHLT-ORAHPGNNSA-N 2 2 182.311 1.635 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+]C[C@@]1(C)C[C@H]1C 714698251 573447850 /nfs/dbraw/zinc/44/78/50/573447850.db2.gz LIXSTAJXAFIZRW-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+]C[C@@]1(C)C[C@H]1C 714698251 573447857 /nfs/dbraw/zinc/44/78/57/573447857.db2.gz LIXSTAJXAFIZRW-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP C/C=C/C[N@H+](C)[C@@H](C)C[NH2+]C1CC1 714691977 573447933 /nfs/dbraw/zinc/44/79/33/573447933.db2.gz IIGZJDWFKNMHLT-YEZKRMTDSA-N 2 2 182.311 1.635 10 0 ADAELP C/C=C/C[N@@H+](C)[C@@H](C)C[NH2+]C1CC1 714691977 573447937 /nfs/dbraw/zinc/44/79/37/573447937.db2.gz IIGZJDWFKNMHLT-YEZKRMTDSA-N 2 2 182.311 1.635 10 0 ADAELP Cc1[nH+]c(C2CC2)[nH]c1[C@@H]1CC[NH2+]C1 257816383 573448259 /nfs/dbraw/zinc/44/82/59/573448259.db2.gz DKGQAPAQMVYUHV-SECBINFHSA-N 2 2 191.278 1.672 10 0 ADAELP Cc1[nH]c(C2CC2)[nH+]c1[C@@H]1CC[NH2+]C1 257816383 573448263 /nfs/dbraw/zinc/44/82/63/573448263.db2.gz DKGQAPAQMVYUHV-SECBINFHSA-N 2 2 191.278 1.672 10 0 ADAELP CC(C)[NH2+]CCCCc1cn(C)c[nH+]1 308587702 573448550 /nfs/dbraw/zinc/44/85/50/573448550.db2.gz SXRTVRKIWOMWAP-UHFFFAOYSA-N 2 2 195.310 1.741 10 0 ADAELP C/C=C\C[N@H+](C)[C@H](C)C[NH2+]C1CC1 714691974 573448553 /nfs/dbraw/zinc/44/85/53/573448553.db2.gz IIGZJDWFKNMHLT-UMCURTJPSA-N 2 2 182.311 1.635 10 0 ADAELP C/C=C\C[N@@H+](C)[C@H](C)C[NH2+]C1CC1 714691974 573448558 /nfs/dbraw/zinc/44/85/58/573448558.db2.gz IIGZJDWFKNMHLT-UMCURTJPSA-N 2 2 182.311 1.635 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+]C[C@]1(C)C[C@H]1C 714698246 573448663 /nfs/dbraw/zinc/44/86/63/573448663.db2.gz LIXSTAJXAFIZRW-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+]C[C@]1(C)C[C@H]1C 714698246 573448667 /nfs/dbraw/zinc/44/86/67/573448667.db2.gz LIXSTAJXAFIZRW-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+][C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] 259449571 573448959 /nfs/dbraw/zinc/44/89/59/573448959.db2.gz NZUMCYMEAUMGNG-OIBJUYFYSA-N 2 2 182.242 1.433 10 0 ADAELP [NH3+][C@H]1CCCc2[nH+]c(C3CCC3)cn21 258350070 573449112 /nfs/dbraw/zinc/44/91/12/573449112.db2.gz LHRHACUVRSJUGG-SNVBAGLBSA-N 2 2 191.278 1.944 10 0 ADAELP [NH3+][C@@H]1CCCc2[nH+]c(C3CCC3)cn21 258350068 573449670 /nfs/dbraw/zinc/44/96/70/573449670.db2.gz LHRHACUVRSJUGG-JTQLQIEISA-N 2 2 191.278 1.944 10 0 ADAELP C/C=C/C[N@H+](C)[C@H](C)C[NH2+]C1CC1 714691971 573449693 /nfs/dbraw/zinc/44/96/93/573449693.db2.gz IIGZJDWFKNMHLT-ORAHPGNNSA-N 2 2 182.311 1.635 10 0 ADAELP C[C@H]([NH3+])c1c[nH]c2cc[nH+]cc12 83269434 573450639 /nfs/dbraw/zinc/45/06/39/573450639.db2.gz VRIBONQBNZLAGW-LURJTMIESA-N 2 2 161.208 1.583 10 0 ADAELP Cc1ccc(CC[N@@H+](C)C[C@@H](C)[NH3+])o1 258658557 573451453 /nfs/dbraw/zinc/45/14/53/573451453.db2.gz BKRYECLUEOWXTM-SECBINFHSA-N 2 2 196.294 1.410 10 0 ADAELP Cc1ccc(CC[N@H+](C)C[C@@H](C)[NH3+])o1 258658557 573451459 /nfs/dbraw/zinc/45/14/59/573451459.db2.gz BKRYECLUEOWXTM-SECBINFHSA-N 2 2 196.294 1.410 10 0 ADAELP C[C@@H](C1CCC1)[N@@H+]1CCC[NH2+][C@H](C)C1 124396989 573451563 /nfs/dbraw/zinc/45/15/63/573451563.db2.gz MDCXDTVRHMEENX-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C1CCC1)[N@H+]1CCC[NH2+][C@H](C)C1 124396989 573451569 /nfs/dbraw/zinc/45/15/69/573451569.db2.gz MDCXDTVRHMEENX-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](c1ccc(F)cc1)[C@H](C)[NH3+] 259449573 573451608 /nfs/dbraw/zinc/45/16/08/573451608.db2.gz NZUMCYMEAUMGNG-XVKPBYJWSA-N 2 2 182.242 1.433 10 0 ADAELP Cc1c[nH+]ccc1CC(C)(C)[NH3+] 83269679 573451618 /nfs/dbraw/zinc/45/16/18/573451618.db2.gz OMOKPTBAOCBICL-UHFFFAOYSA-N 2 2 164.252 1.670 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H](F)C1 107260882 573452187 /nfs/dbraw/zinc/45/21/87/573452187.db2.gz GAKDRGXSUFXBJL-AEJSXWLSSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](F)C1 107260882 573452197 /nfs/dbraw/zinc/45/21/97/573452197.db2.gz GAKDRGXSUFXBJL-AEJSXWLSSA-N 2 2 186.274 1.300 10 0 ADAELP C[N@@H+]1CCC[C@]([NH3+])(CC(F)(F)F)C1 257817205 573452482 /nfs/dbraw/zinc/45/24/82/573452482.db2.gz DQVDTQLVRCVGTJ-ZETCQYMHSA-N 2 2 196.216 1.362 10 0 ADAELP C[N@H+]1CCC[C@]([NH3+])(CC(F)(F)F)C1 257817205 573452487 /nfs/dbraw/zinc/45/24/87/573452487.db2.gz DQVDTQLVRCVGTJ-ZETCQYMHSA-N 2 2 196.216 1.362 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCSC1 130060883 573452671 /nfs/dbraw/zinc/45/26/71/573452671.db2.gz FVGBRWSGPMNXAT-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP [NH3+][C@H](c1cc[nH]c1)[C@H]1CCCC[NH2+]1 259456936 573453259 /nfs/dbraw/zinc/45/32/59/573453259.db2.gz QTNNYJYJFLDBNV-NXEZZACHSA-N 2 2 179.267 1.157 10 0 ADAELP Cc1ccc(CC[N@@H+](C)C[C@H](C)[NH3+])o1 258658560 573454289 /nfs/dbraw/zinc/45/42/89/573454289.db2.gz BKRYECLUEOWXTM-VIFPVBQESA-N 2 2 196.294 1.410 10 0 ADAELP Cc1ccc(CC[N@H+](C)C[C@H](C)[NH3+])o1 258658560 573454293 /nfs/dbraw/zinc/45/42/93/573454293.db2.gz BKRYECLUEOWXTM-VIFPVBQESA-N 2 2 196.294 1.410 10 0 ADAELP [NH3+][C@@H](c1cc[nH]c1)[C@H]1CCCC[NH2+]1 259456941 573454310 /nfs/dbraw/zinc/45/43/10/573454310.db2.gz QTNNYJYJFLDBNV-ZJUUUORDSA-N 2 2 179.267 1.157 10 0 ADAELP CC1CC([NH2+]CC[N@@H+]2CCC[C@@H]2C)C1 308590182 573454422 /nfs/dbraw/zinc/45/44/22/573454422.db2.gz UVUPDHOYZVJIDS-CXQJBGSLSA-N 2 2 196.338 1.859 10 0 ADAELP CC1CC([NH2+]CC[N@H+]2CCC[C@@H]2C)C1 308590182 573454427 /nfs/dbraw/zinc/45/44/27/573454427.db2.gz UVUPDHOYZVJIDS-CXQJBGSLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+]C[C@@H]([NH2+]C)c1cccc(F)c1 259454460 573454993 /nfs/dbraw/zinc/45/49/93/573454993.db2.gz PEFVVTDKNQWWJJ-LLVKDONJSA-N 2 2 196.269 1.696 10 0 ADAELP CC(C)(C)CCn1c[nH+]cc1C[NH3+] 130159884 573455629 /nfs/dbraw/zinc/45/56/29/573455629.db2.gz ZYUZDYPDLNDQTL-UHFFFAOYSA-N 2 2 181.283 1.778 10 0 ADAELP C[NH2+]C[C@@H]1Cc2cccc(C)c2C[NH2+]1 257817677 573455785 /nfs/dbraw/zinc/45/57/85/573455785.db2.gz DWEUNDBYBPGKSI-NSHDSACASA-N 2 2 190.290 1.229 10 0 ADAELP CCC(CC)[NH2+][C@H](C)C[NH+](C)C 130165226 573455873 /nfs/dbraw/zinc/45/58/73/573455873.db2.gz WKRRSTKQPAPZAT-SECBINFHSA-N 2 2 172.316 1.715 10 0 ADAELP Cc1[nH]c([C@@H]2CC[NH2+]C2)[nH+]c1C(C)C 257817707 573456091 /nfs/dbraw/zinc/45/60/91/573456091.db2.gz DXIAIPBNXCGGCP-SECBINFHSA-N 2 2 193.294 1.918 10 0 ADAELP Cc1[nH+]c([C@@H]2CC[NH2+]C2)[nH]c1C(C)C 257817707 573456100 /nfs/dbraw/zinc/45/61/00/573456100.db2.gz DXIAIPBNXCGGCP-SECBINFHSA-N 2 2 193.294 1.918 10 0 ADAELP C[NH2+]C[C@H]1Cc2cccc(C)c2C[NH2+]1 257817676 573456246 /nfs/dbraw/zinc/45/62/46/573456246.db2.gz DWEUNDBYBPGKSI-LLVKDONJSA-N 2 2 190.290 1.229 10 0 ADAELP [NH3+][C@H](c1cc[nH]c1)[C@@H]1CCCC[NH2+]1 259456939 573456282 /nfs/dbraw/zinc/45/62/82/573456282.db2.gz QTNNYJYJFLDBNV-VHSXEESVSA-N 2 2 179.267 1.157 10 0 ADAELP [NH3+]C[C@]12CCC[N@@H+]1Cc1ccccc12 107266530 573456549 /nfs/dbraw/zinc/45/65/49/573456549.db2.gz ZJKHOOUGVAUQCN-LBPRGKRZSA-N 2 2 188.274 1.450 10 0 ADAELP [NH3+]C[C@]12CCC[N@H+]1Cc1ccccc12 107266530 573456554 /nfs/dbraw/zinc/45/65/54/573456554.db2.gz ZJKHOOUGVAUQCN-LBPRGKRZSA-N 2 2 188.274 1.450 10 0 ADAELP [NH3+]Cc1c(F)cccc1-n1cc[nH+]c1 86476541 573458154 /nfs/dbraw/zinc/45/81/54/573458154.db2.gz PYVOSOYVMXVVOR-UHFFFAOYSA-N 2 2 191.209 1.470 10 0 ADAELP CC[NH2+]C[C@H]([NH2+]C)c1cccc(F)c1 259454464 573457974 /nfs/dbraw/zinc/45/79/74/573457974.db2.gz PEFVVTDKNQWWJJ-NSHDSACASA-N 2 2 196.269 1.696 10 0 ADAELP CCc1c[nH+]ccc1CCC[NH3+] 259456721 573458102 /nfs/dbraw/zinc/45/81/02/573458102.db2.gz VTZRFPLJKQEJAU-UHFFFAOYSA-N 2 2 164.252 1.535 10 0 ADAELP CC1(C)CO[C@@](C)([C@@H]2CCCC[NH2+]2)[NH2+]1 258366591 573461558 /nfs/dbraw/zinc/46/15/58/573461558.db2.gz GPZIGDZPRKEJLG-ONGXEEELSA-N 2 2 198.310 1.243 10 0 ADAELP [NH3+]C[C@H]1[NH2+]CCc2ccc(Cl)cc21 257814748 573461659 /nfs/dbraw/zinc/46/16/59/573461659.db2.gz CQWXDQHBYQCMEY-SNVBAGLBSA-N 2 2 196.681 1.486 10 0 ADAELP CC1(C)CO[C@](C)([C@H]2CCCC[NH2+]2)[NH2+]1 258366589 573461784 /nfs/dbraw/zinc/46/17/84/573461784.db2.gz GPZIGDZPRKEJLG-MWLCHTKSSA-N 2 2 198.310 1.243 10 0 ADAELP [NH3+]C[C@@H]1[NH2+]CCc2ccc(Cl)cc21 257814747 573462685 /nfs/dbraw/zinc/46/26/85/573462685.db2.gz CQWXDQHBYQCMEY-JTQLQIEISA-N 2 2 196.681 1.486 10 0 ADAELP CC1(C)CO[C@@](C)([C@H]2CCCC[NH2+]2)[NH2+]1 258366588 573463237 /nfs/dbraw/zinc/46/32/37/573463237.db2.gz GPZIGDZPRKEJLG-KOLCDFICSA-N 2 2 198.310 1.243 10 0 ADAELP [NH3+]C1(Cc2ccc3[nH]c[nH+]c3c2)CC1 258036159 573463892 /nfs/dbraw/zinc/46/38/92/573463892.db2.gz JLXOWPQCRDMMRE-UHFFFAOYSA-N 2 2 187.246 1.597 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CC1)c1cccc(O)c1 258035662 573464241 /nfs/dbraw/zinc/46/42/41/573464241.db2.gz GUDKMZRTYSKVGB-NSHDSACASA-N 2 2 192.262 1.144 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccc(Cl)cc1 259463794 573464475 /nfs/dbraw/zinc/46/44/75/573464475.db2.gz RGQIKFMYFAJERF-JTQLQIEISA-N 2 2 198.697 1.949 10 0 ADAELP CC(C)Cc1[nH]c(C2C[NH2+]C2)c[nH+]1 257815013 573464503 /nfs/dbraw/zinc/46/45/03/573464503.db2.gz CSBQJUIIAGQHBF-UHFFFAOYSA-N 2 2 179.267 1.295 10 0 ADAELP CC(C)Cc1[nH]cc(C2C[NH2+]C2)[nH+]1 257815013 573464507 /nfs/dbraw/zinc/46/45/07/573464507.db2.gz CSBQJUIIAGQHBF-UHFFFAOYSA-N 2 2 179.267 1.295 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CC1)c1cccc(O)c1 258035657 573465733 /nfs/dbraw/zinc/46/57/33/573465733.db2.gz GUDKMZRTYSKVGB-LLVKDONJSA-N 2 2 192.262 1.144 10 0 ADAELP NC(=[NH2+])C[N@@H+]1C[C@@H]2CCCCC[C@H]21 687954167 573465915 /nfs/dbraw/zinc/46/59/15/573465915.db2.gz CHIWQYSOTVKNAA-DTWKUNHWSA-N 2 2 181.283 1.187 10 0 ADAELP NC(=[NH2+])C[N@H+]1C[C@@H]2CCCCC[C@H]21 687954167 573465919 /nfs/dbraw/zinc/46/59/19/573465919.db2.gz CHIWQYSOTVKNAA-DTWKUNHWSA-N 2 2 181.283 1.187 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1(C)CC1 130103480 573465975 /nfs/dbraw/zinc/46/59/75/573465975.db2.gz VLWGYPXPMMTQAD-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1ccc(O)cc1 257815952 573466207 /nfs/dbraw/zinc/46/62/07/573466207.db2.gz DDQHYWQLIKGWED-NSHDSACASA-N 2 2 192.262 1.144 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1Cc1ccccc1 107274449 573466735 /nfs/dbraw/zinc/46/67/35/573466735.db2.gz GYZSOCOFEQEQIE-RYUDHWBXSA-N 2 2 190.290 1.261 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])C[C@@H]1Cc1ccccc1 107274449 573466743 /nfs/dbraw/zinc/46/67/43/573466743.db2.gz GYZSOCOFEQEQIE-RYUDHWBXSA-N 2 2 190.290 1.261 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccc(Cl)cc1 259463796 573466891 /nfs/dbraw/zinc/46/68/91/573466891.db2.gz RGQIKFMYFAJERF-SNVBAGLBSA-N 2 2 198.697 1.949 10 0 ADAELP C[NH2+][C@@H](c1cc[nH]c1)[C@@H]1CCC[NH2+]1 259463239 573471638 /nfs/dbraw/zinc/47/16/38/573471638.db2.gz PRYBASVMQZMYGM-UWVGGRQHSA-N 2 2 179.267 1.027 10 0 ADAELP CO[C@@H]([NH3+])c1ccc2[nH]c(C)[nH+]c2c1 259466499 573476481 /nfs/dbraw/zinc/47/64/81/573476481.db2.gz OYYJNZBIYTTYPT-SNVBAGLBSA-N 2 2 191.234 1.475 10 0 ADAELP C[NH+]1CCC2(CC1)[NH2+]CCC2(F)F 107282237 573476199 /nfs/dbraw/zinc/47/61/99/573476199.db2.gz WCFDDKABZXTBBC-UHFFFAOYSA-N 2 2 190.237 1.079 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+](C)[C@@H]1CC[NH2+]C1 83394262 573476216 /nfs/dbraw/zinc/47/62/16/573476216.db2.gz YWWUJZHVZUXQTA-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+](C)[C@@H]1CC[NH2+]C1 83394262 573476221 /nfs/dbraw/zinc/47/62/21/573476221.db2.gz YWWUJZHVZUXQTA-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1cc2[nH]c(CC[NH3+])[nH+]c2cc1F 107288123 573476700 /nfs/dbraw/zinc/47/67/00/573476700.db2.gz CFIWEZWHVGHYJA-UHFFFAOYSA-N 2 2 193.225 1.512 10 0 ADAELP Cc1ccccc1[C@@H]([NH3+])C(C)(C)[NH3+] 259469208 573476819 /nfs/dbraw/zinc/47/68/19/573476819.db2.gz ROXWTOLBIFWIBE-SNVBAGLBSA-N 2 2 178.279 1.732 10 0 ADAELP CC(C)[NH2+]C[C@H]([NH3+])c1ccccc1F 259100738 573477032 /nfs/dbraw/zinc/47/70/32/573477032.db2.gz AYTVJBBDROWUOQ-NSHDSACASA-N 2 2 196.269 1.824 10 0 ADAELP CC(C)(C)C1C[NH+](C[C@@H]2CC[NH2+]2)C1 642832456 573477043 /nfs/dbraw/zinc/47/70/43/573477043.db2.gz FIMZPCRFXQJYTI-JTQLQIEISA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]([NH3+])Cc1[nH]c2ccc(O)cc2[nH+]1 107288464 573478799 /nfs/dbraw/zinc/47/87/99/573478799.db2.gz AULQTQQPYUXRGR-ZCFIWIBFSA-N 2 2 191.234 1.158 10 0 ADAELP CC(C)[NH2+]C[C@@H]([NH3+])c1ccccc1F 259100737 573478881 /nfs/dbraw/zinc/47/88/81/573478881.db2.gz AYTVJBBDROWUOQ-LLVKDONJSA-N 2 2 196.269 1.824 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@H+](C)[C@@H]1CC[NH2+]C1 83394266 573480493 /nfs/dbraw/zinc/48/04/93/573480493.db2.gz YWWUJZHVZUXQTA-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@@H+](C)[C@@H]1CC[NH2+]C1 83394266 573480498 /nfs/dbraw/zinc/48/04/98/573480498.db2.gz YWWUJZHVZUXQTA-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1ccccc1[C@H]([NH3+])C(C)(C)[NH3+] 259469206 573480061 /nfs/dbraw/zinc/48/00/61/573480061.db2.gz ROXWTOLBIFWIBE-JTQLQIEISA-N 2 2 178.279 1.732 10 0 ADAELP C[N@H+](CC[NH2+]CC1(C)CCC1)C1CC1 308594850 573482324 /nfs/dbraw/zinc/48/23/24/573482324.db2.gz YAAQPVFYPOBAHL-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+](CC[NH2+]CC1(C)CCC1)C1CC1 308594850 573482327 /nfs/dbraw/zinc/48/23/27/573482327.db2.gz YAAQPVFYPOBAHL-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1CCn1cc[nH+]c1 86532673 573482441 /nfs/dbraw/zinc/48/24/41/573482441.db2.gz VQSDHNCTRBOCAX-UWVGGRQHSA-N 2 2 179.267 1.401 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H](C)C[NH+](C)C 130200279 573482512 /nfs/dbraw/zinc/48/25/12/573482512.db2.gz ZTKNPOMFZLJDHA-ZJUUUORDSA-N 2 2 172.316 1.571 10 0 ADAELP COc1cc[nH+]cc1[C@@H](F)[C@@H](C)C[NH3+] 308596779 573482572 /nfs/dbraw/zinc/48/25/72/573482572.db2.gz ZBOZUCXDRMMMKK-XVKPBYJWSA-N 2 2 198.241 1.696 10 0 ADAELP CC[C@H](C)[N@@H+]1CCCC[NH2+][C@@H](C)C1 259470506 573482751 /nfs/dbraw/zinc/48/27/51/573482751.db2.gz QSTKAYCJYPSLEC-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCCC[NH2+][C@@H](C)C1 259470506 573482757 /nfs/dbraw/zinc/48/27/57/573482757.db2.gz QSTKAYCJYPSLEC-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1ccc(C)cc1 259470844 573482841 /nfs/dbraw/zinc/48/28/41/573482841.db2.gz RTCLGLQFWTZPJP-LLVKDONJSA-N 2 2 192.306 1.993 10 0 ADAELP CC[C@H]([NH2+][C@H](C)C[NH+](C)C)C1CC1 130150229 573482965 /nfs/dbraw/zinc/48/29/65/573482965.db2.gz WMIMVYYIRKWZPC-KOLCDFICSA-N 2 2 184.327 1.715 10 0 ADAELP COc1cc[nH+]cc1[C@H](F)[C@H](C)C[NH3+] 308596775 573483033 /nfs/dbraw/zinc/48/30/33/573483033.db2.gz ZBOZUCXDRMMMKK-GMSGAONNSA-N 2 2 198.241 1.696 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1CCn1cc[nH+]c1 86532676 573483125 /nfs/dbraw/zinc/48/31/25/573483125.db2.gz VQSDHNCTRBOCAX-ZJUUUORDSA-N 2 2 179.267 1.401 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1CCn1cc[nH+]c1 86532679 573483354 /nfs/dbraw/zinc/48/33/54/573483354.db2.gz VQSDHNCTRBOCAX-NXEZZACHSA-N 2 2 179.267 1.401 10 0 ADAELP CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)C1CC1 130150439 573484910 /nfs/dbraw/zinc/48/49/10/573484910.db2.gz WMIMVYYIRKWZPC-MWLCHTKSSA-N 2 2 184.327 1.715 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1C1CC[NH2+]CC1 257820065 573486698 /nfs/dbraw/zinc/48/66/98/573486698.db2.gz FOZVYVDMKLILAF-UHFFFAOYSA-N 2 2 191.278 1.754 10 0 ADAELP c1[nH+]c(C2CC2)[nH]c1C1CC[NH2+]CC1 257820065 573486702 /nfs/dbraw/zinc/48/67/02/573486702.db2.gz FOZVYVDMKLILAF-UHFFFAOYSA-N 2 2 191.278 1.754 10 0 ADAELP C1CS[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 257820200 573486907 /nfs/dbraw/zinc/48/69/07/573486907.db2.gz FOJFGPSEGJTAFN-IUCAKERBSA-N 2 2 186.324 1.039 10 0 ADAELP C[C@H]([NH3+])CCc1cc([NH3+])ccc1N 238416701 573487064 /nfs/dbraw/zinc/48/70/64/573487064.db2.gz FFOFAXKLOPUQID-ZETCQYMHSA-N 2 2 179.267 1.131 10 0 ADAELP CC[C@H](C)[N@@H+]1CCCC[NH2+][C@H](C)C1 259470504 573487066 /nfs/dbraw/zinc/48/70/66/573487066.db2.gz QSTKAYCJYPSLEC-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCCC[NH2+][C@H](C)C1 259470504 573487071 /nfs/dbraw/zinc/48/70/71/573487071.db2.gz QSTKAYCJYPSLEC-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C1CS[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 257820201 573487370 /nfs/dbraw/zinc/48/73/70/573487370.db2.gz FOJFGPSEGJTAFN-RKDXNWHRSA-N 2 2 186.324 1.039 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C)C1 130213732 573487574 /nfs/dbraw/zinc/48/75/74/573487574.db2.gz VMWQNEIWHCADRH-GRYCIOLGSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C)C1 130213732 573487583 /nfs/dbraw/zinc/48/75/83/573487583.db2.gz VMWQNEIWHCADRH-GRYCIOLGSA-N 2 2 196.338 1.715 10 0 ADAELP Nc1[nH+]cccc1/C=C/CC[NH3+] 86571009 573487855 /nfs/dbraw/zinc/48/78/55/573487855.db2.gz MCMWXVZCLBSFRW-DAFODLJHSA-N 2 2 163.224 1.026 10 0 ADAELP C/C(=C/CC[NH3+])c1ccc[nH+]c1N 86570823 573487888 /nfs/dbraw/zinc/48/78/88/573487888.db2.gz DZEDFELFEWXICZ-YWEYNIOJSA-N 2 2 177.251 1.416 10 0 ADAELP Cc1[nH]c(C2CC2)[nH+]c1CC1C[NH2+]C1 257820066 573488631 /nfs/dbraw/zinc/48/86/31/573488631.db2.gz FPEWJPQCEGYJLI-UHFFFAOYSA-N 2 2 191.278 1.357 10 0 ADAELP CC(C)[NH2+]Cc1cn(C(C)C)c(N)[nH+]1 258038591 573488868 /nfs/dbraw/zinc/48/88/68/573488868.db2.gz FALLIXWCJKYFGQ-UHFFFAOYSA-N 2 2 196.298 1.544 10 0 ADAELP C[NH2+]C(C)(C)C[NH2+]Cc1ccncc1 258680629 573489141 /nfs/dbraw/zinc/48/91/41/573489141.db2.gz PJOZWVRJOOKKST-UHFFFAOYSA-N 2 2 193.294 1.169 10 0 ADAELP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C1)C1CC1 130223191 573489347 /nfs/dbraw/zinc/48/93/47/573489347.db2.gz VNBPGNQPMYTFJU-KOLCDFICSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C1)C1CC1 130223191 573489356 /nfs/dbraw/zinc/48/93/56/573489356.db2.gz VNBPGNQPMYTFJU-KOLCDFICSA-N 2 2 182.311 1.326 10 0 ADAELP C1CS[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 257820199 573490180 /nfs/dbraw/zinc/49/01/80/573490180.db2.gz FOJFGPSEGJTAFN-DTWKUNHWSA-N 2 2 186.324 1.039 10 0 ADAELP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C1)C1CC1 130222532 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UKYIWGOMVQYYKC-QUCGXOGASA-N 2 2 194.278 1.835 10 0 ADAELP CC(C)C[C@@]1(C[NH+](C)C)CCC[NH2+]1 258691718 573494696 /nfs/dbraw/zinc/49/46/96/573494696.db2.gz MRLNIQRVQYYTNZ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1cccc(C2(C[NH3+])C[NH+](C)C2)c1 258693482 573494718 /nfs/dbraw/zinc/49/47/18/573494718.db2.gz VQABRIRJPWQGFC-UHFFFAOYSA-N 2 2 190.290 1.137 10 0 ADAELP Cc1[nH+]c[nH]c1C[NH2+]CCC(F)F 308393138 573494927 /nfs/dbraw/zinc/49/49/27/573494927.db2.gz ZYJIQLYQCOOUIS-UHFFFAOYSA-N 2 2 189.209 1.463 10 0 ADAELP Cc1cccc([C@@H]([NH3+])C(C)(C)[NH3+])c1 259476152 573496296 /nfs/dbraw/zinc/49/62/96/573496296.db2.gz SBRQFWFIIPFCBU-SNVBAGLBSA-N 2 2 178.279 1.732 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCCn2cc[nH+]c21 107311172 573496681 /nfs/dbraw/zinc/49/66/81/573496681.db2.gz IYSWKLORSLQGPY-YUMQZZPRSA-N 2 2 165.240 1.108 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCCn2cc[nH+]c21 107311175 573497035 /nfs/dbraw/zinc/49/70/35/573497035.db2.gz IYSWKLORSLQGPY-SFYZADRCSA-N 2 2 165.240 1.108 10 0 ADAELP C[NH+](C)CC(C)(C)[NH2+]C1CCCC1 308607705 573497330 /nfs/dbraw/zinc/49/73/30/573497330.db2.gz IUVSZGZEQRGWPE-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP CCc1[nH+]c(C[NH3+])c2cc(C)ccn12 107308817 573497660 /nfs/dbraw/zinc/49/76/60/573497660.db2.gz PDWWOXHZHVOZBO-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCCn2cc[nH+]c21 107311179 573497931 /nfs/dbraw/zinc/49/79/31/573497931.db2.gz IYSWKLORSLQGPY-JGVFFNPUSA-N 2 2 165.240 1.108 10 0 ADAELP C[NH+](C)C[C@@]1(C2CC2)CCCC[NH2+]1 258702569 573498504 /nfs/dbraw/zinc/49/85/04/573498504.db2.gz NEPGBTPBTMAYHM-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP [NH3+]C[C@]1(c2ccncc2)CCCC[NH2+]1 258706160 573498763 /nfs/dbraw/zinc/49/87/63/573498763.db2.gz NLONQIIASLLGBU-NSHDSACASA-N 2 2 191.278 1.009 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+][C@@H](C)CF)C1 308399308 573502812 /nfs/dbraw/zinc/50/28/12/573502812.db2.gz GGKJNEDEUQVZCZ-GUBZILKMSA-N 2 2 188.290 1.274 10 0 ADAELP CCc1cn2ccc(C[NH3+])cc2[nH+]1 107312394 573501561 /nfs/dbraw/zinc/50/15/61/573501561.db2.gz ABKJHMJNFOJCLX-UHFFFAOYSA-N 2 2 175.235 1.355 10 0 ADAELP CC[C@@H](C)[NH2+]C(C)(C)C[NH+](C)C 308607688 573501618 /nfs/dbraw/zinc/50/16/18/573501618.db2.gz IOKVASYMGNBEQO-SECBINFHSA-N 2 2 172.316 1.715 10 0 ADAELP [NH3+]Cc1ccc2[nH+]c(C3CC3)cn2c1 107312484 573501769 /nfs/dbraw/zinc/50/17/69/573501769.db2.gz QPNZIMTUTGCIOR-UHFFFAOYSA-N 2 2 187.246 1.670 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+][C@@H](C)CF)C1 308399308 573502808 /nfs/dbraw/zinc/50/28/08/573502808.db2.gz GGKJNEDEUQVZCZ-GUBZILKMSA-N 2 2 188.290 1.274 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1cccc(C)c1 259481097 573502182 /nfs/dbraw/zinc/50/21/82/573502182.db2.gz SJJHFFGMRGOHGR-LLVKDONJSA-N 2 2 192.306 1.993 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1cccc(C)c1 259481099 573502508 /nfs/dbraw/zinc/50/25/08/573502508.db2.gz SJJHFFGMRGOHGR-NSHDSACASA-N 2 2 192.306 1.993 10 0 ADAELP C[NH2+]Cc1cccc2[nH+]c(C)cn12 107312595 573502588 /nfs/dbraw/zinc/50/25/88/573502588.db2.gz QSQQOIYCUKXJJE-UHFFFAOYSA-N 2 2 175.235 1.362 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc2ncoc2c1 259109916 573502810 /nfs/dbraw/zinc/50/28/10/573502810.db2.gz QXXCQZZWSPMCSU-SECBINFHSA-N 2 2 191.234 1.047 10 0 ADAELP C[N@@H+]1CCC[C@@]1(C[NH3+])c1cccs1 258713276 573503813 /nfs/dbraw/zinc/50/38/13/573503813.db2.gz NVQSCRKOWBVXRF-SNVBAGLBSA-N 2 2 196.319 1.628 10 0 ADAELP C[N@H+]1CCC[C@@]1(C[NH3+])c1cccs1 258713276 573503818 /nfs/dbraw/zinc/50/38/18/573503818.db2.gz NVQSCRKOWBVXRF-SNVBAGLBSA-N 2 2 196.319 1.628 10 0 ADAELP CCc1cn2cc(C[NH3+])ccc2[nH+]1 107312481 573503821 /nfs/dbraw/zinc/50/38/21/573503821.db2.gz NVZYNQBTFVSQOU-UHFFFAOYSA-N 2 2 175.235 1.355 10 0 ADAELP CSc1ccc(O)cc1[C@H]([NH3+])C[NH3+] 238419390 573503859 /nfs/dbraw/zinc/50/38/59/573503859.db2.gz OKIDHDPBIJNVLW-MRVPVSSYSA-N 2 2 198.291 1.073 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H](n2cc[nH+]c2)C1 86600595 573503880 /nfs/dbraw/zinc/50/38/80/573503880.db2.gz OPIOIGIJYYQBID-VHSXEESVSA-N 2 2 179.267 1.586 10 0 ADAELP 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573504229 /nfs/dbraw/zinc/50/42/29/573504229.db2.gz SBOWDVFTGQDPQJ-UHFFFAOYSA-N 2 2 187.246 1.670 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+]C(C1CC1)C1CC1 130284189 573504505 /nfs/dbraw/zinc/50/45/05/573504505.db2.gz NVKQDEQOQNAHBF-VIFPVBQESA-N 2 2 196.338 1.715 10 0 ADAELP C[N@@H+]1CCC[C@]1(C[NH3+])c1cccs1 258713273 573504527 /nfs/dbraw/zinc/50/45/27/573504527.db2.gz NVQSCRKOWBVXRF-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP C[N@H+]1CCC[C@]1(C[NH3+])c1cccs1 258713273 573504532 /nfs/dbraw/zinc/50/45/32/573504532.db2.gz NVQSCRKOWBVXRF-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP CC(C)C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C 130282465 573504645 /nfs/dbraw/zinc/50/46/45/573504645.db2.gz HKNPDFUZKVMVNT-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+]CCCC2CC2)C1 130282494 573506308 /nfs/dbraw/zinc/50/63/08/573506308.db2.gz IOPMQDDDMOMZTO-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+]CCCC2CC2)C1 130282494 573506310 /nfs/dbraw/zinc/50/63/10/573506310.db2.gz IOPMQDDDMOMZTO-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C/C=C/CC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C 308609552 573507415 /nfs/dbraw/zinc/50/74/15/573507415.db2.gz QGEQACRVIJWRSN-SJCWFQRBSA-N 2 2 196.338 1.882 10 0 ADAELP C/C=C/CC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C 308609552 573507420 /nfs/dbraw/zinc/50/74/20/573507420.db2.gz QGEQACRVIJWRSN-SJCWFQRBSA-N 2 2 196.338 1.882 10 0 ADAELP C[NH2+][C@H]1CCC[C@H](n2cc[nH+]c2)C1 86600589 573507740 /nfs/dbraw/zinc/50/77/40/573507740.db2.gz OPIOIGIJYYQBID-UWVGGRQHSA-N 2 2 179.267 1.586 10 0 ADAELP C[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1 258728750 573511033 /nfs/dbraw/zinc/51/10/33/573511033.db2.gz JRLMBSWSKUMORE-MRVPVSSYSA-N 2 2 182.242 1.263 10 0 ADAELP C[NH2+][C@@H](C[NH2+]C1CC1)c1ccc[nH]1 259483332 573510072 /nfs/dbraw/zinc/51/00/72/573510072.db2.gz QTVFDGNYGRWQDC-JTQLQIEISA-N 2 2 179.267 1.027 10 0 ADAELP C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2[N@@H+]2CCC[C@@H]12 238421761 573510103 /nfs/dbraw/zinc/51/01/03/573510103.db2.gz FBYXIFKYYQJSCS-USZNOCQGSA-N 2 2 194.322 1.754 10 0 ADAELP C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2[N@H+]2CCC[C@@H]12 238421761 573510108 /nfs/dbraw/zinc/51/01/08/573510108.db2.gz FBYXIFKYYQJSCS-USZNOCQGSA-N 2 2 194.322 1.754 10 0 ADAELP COc1ccc([C@@H]([NH3+])C(C)(C)[NH3+])cc1 259483079 573510339 /nfs/dbraw/zinc/51/03/39/573510339.db2.gz SKVOIRSHORIAOV-SNVBAGLBSA-N 2 2 194.278 1.432 10 0 ADAELP C[NH2+][C@H](C[NH2+]C1CC1)c1ccc[nH]1 259483336 573510456 /nfs/dbraw/zinc/51/04/56/573510456.db2.gz QTVFDGNYGRWQDC-SNVBAGLBSA-N 2 2 179.267 1.027 10 0 ADAELP CC[C@H]([NH2+][C@H](C)C[NH+](C)C)C(C)C 130301790 573511244 /nfs/dbraw/zinc/51/12/44/573511244.db2.gz KMLXPMUFIZGTNI-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[NH+](C)C 308396605 573511353 /nfs/dbraw/zinc/51/13/53/573511353.db2.gz DOVMJWJPCPRKFI-HBNTYKKESA-N 2 2 184.327 1.572 10 0 ADAELP Cc1[nH]c(C2C[NH2+]C2)[nH+]c1C1CC1 257824016 573511472 /nfs/dbraw/zinc/51/14/72/573511472.db2.gz GPBPHWUAOJSVQQ-UHFFFAOYSA-N 2 2 177.251 1.282 10 0 ADAELP Cc1[nH+]c(C2C[NH2+]C2)[nH]c1C1CC1 257824016 573511476 /nfs/dbraw/zinc/51/14/76/573511476.db2.gz GPBPHWUAOJSVQQ-UHFFFAOYSA-N 2 2 177.251 1.282 10 0 ADAELP CC[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+](C)C 308396608 573511588 /nfs/dbraw/zinc/51/15/88/573511588.db2.gz DOVMJWJPCPRKFI-OUAUKWLOSA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2C[N@@H+]1C 238422867 573511631 /nfs/dbraw/zinc/51/16/31/573511631.db2.gz CCHUSRLQXCMFAI-BBBLOLIVSA-N 2 2 168.284 1.426 10 0 ADAELP CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)C(C)C 130301987 573511635 /nfs/dbraw/zinc/51/16/35/573511635.db2.gz KMLXPMUFIZGTNI-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2C[N@H+]1C 238422867 573511637 /nfs/dbraw/zinc/51/16/37/573511637.db2.gz CCHUSRLQXCMFAI-BBBLOLIVSA-N 2 2 168.284 1.426 10 0 ADAELP COc1ccc([C@H]([NH3+])C(C)(C)[NH3+])cc1 259483075 573511691 /nfs/dbraw/zinc/51/16/91/573511691.db2.gz SKVOIRSHORIAOV-JTQLQIEISA-N 2 2 194.278 1.432 10 0 ADAELP CC[C@H](C[NH2+]C[C@H]1C[C@H]1C)[NH+](C)C 308396601 573512946 /nfs/dbraw/zinc/51/29/46/573512946.db2.gz DOVMJWJPCPRKFI-GMTAPVOTSA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1[NH2+][C@H](c2ccco2)C[C@@H]1[NH3+] 238422620 573513023 /nfs/dbraw/zinc/51/30/23/573513023.db2.gz AZPFQASYCYZWIF-FXQIFTODSA-N 2 2 166.224 1.030 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 50564405 573513333 /nfs/dbraw/zinc/51/33/33/573513333.db2.gz PORPPFLWVQZUOQ-WHOHXGKFSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 50564405 573513339 /nfs/dbraw/zinc/51/33/39/573513339.db2.gz PORPPFLWVQZUOQ-WHOHXGKFSA-N 2 2 196.338 1.987 10 0 ADAELP Cc1ccoc1C[N@@H+](C)CC(C)(C)[NH3+] 308602177 573513349 /nfs/dbraw/zinc/51/33/49/573513349.db2.gz DRSSYILGIDXSLY-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP Cc1ccoc1C[N@H+](C)CC(C)(C)[NH3+] 308602177 573513354 /nfs/dbraw/zinc/51/33/54/573513354.db2.gz DRSSYILGIDXSLY-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP C[C@@H]1CCC[C@H]2CC[NH2+]C[N@@H+]21 238422521 573514986 /nfs/dbraw/zinc/51/49/86/573514986.db2.gz TWRREPHLPIKLKU-BDAKNGLRSA-N 2 2 154.257 1.180 10 0 ADAELP C[C@@H]1CCC[C@H]2CC[NH2+]C[N@H+]21 238422521 573514991 /nfs/dbraw/zinc/51/49/91/573514991.db2.gz TWRREPHLPIKLKU-BDAKNGLRSA-N 2 2 154.257 1.180 10 0 ADAELP CC(C)C[C@H](C[NH3+])C[NH2+]CC(F)F 147858336 573515036 /nfs/dbraw/zinc/51/50/36/573515036.db2.gz FLCDEHHFEYQCIY-MRVPVSSYSA-N 2 2 194.269 1.462 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]CC2CCC2)C1 308605586 573515425 /nfs/dbraw/zinc/51/54/25/573515425.db2.gz PNQGWVONQGLGCE-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+]CC2CCC2)C1 308605586 573515428 /nfs/dbraw/zinc/51/54/28/573515428.db2.gz PNQGWVONQGLGCE-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]1C 50564929 573518218 /nfs/dbraw/zinc/51/82/18/573518218.db2.gz LXQUNVHBAYMRLF-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]1C 50564929 573518224 /nfs/dbraw/zinc/51/82/24/573518224.db2.gz LXQUNVHBAYMRLF-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+]C[NH2+]C1CCCCCC1 258733879 573516165 /nfs/dbraw/zinc/51/61/65/573516165.db2.gz VLXSKJFEXVOVFC-UHFFFAOYSA-N 2 2 142.246 1.215 10 0 ADAELP CC[N@@H+]1C[C@@H]([NH2+]CC2CCC2)[C@H](C)C1 308605588 573518435 /nfs/dbraw/zinc/51/84/35/573518435.db2.gz PNQGWVONQGLGCE-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@H]1CC[C@H](n2cc[nH+]c2)C1 86619811 573518261 /nfs/dbraw/zinc/51/82/61/573518261.db2.gz ZELYFBQGAPNZME-IUCAKERBSA-N 2 2 165.240 1.196 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[C@@H](C)[NH3+])o1 259483447 573517146 /nfs/dbraw/zinc/51/71/46/573517146.db2.gz SMVQHGFVKGOLTI-HTRCEHHLSA-N 2 2 168.240 1.325 10 0 ADAELP CC(C)C[N@@H+]1C[C@H]([NH3+])CCC1(C)C 258733886 573517230 /nfs/dbraw/zinc/51/72/30/573517230.db2.gz IZKWTGPEOZKSEI-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@H+]1C[C@H]([NH3+])CCC1(C)C 258733886 573517236 /nfs/dbraw/zinc/51/72/36/573517236.db2.gz IZKWTGPEOZKSEI-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH2+][C@@H]1CC[C@H](n2cc[nH+]c2)C1 86619814 573517668 /nfs/dbraw/zinc/51/76/68/573517668.db2.gz GHVXLHFOTPBZHK-ZJUUUORDSA-N 2 2 179.267 1.586 10 0 ADAELP CC1(C)[C@@H]([NH3+])CC[N@@H+]1Cc1ccco1 258737544 573517844 /nfs/dbraw/zinc/51/78/44/573517844.db2.gz JIABJHHBGRKIFD-JTQLQIEISA-N 2 2 194.278 1.591 10 0 ADAELP CC1(C)[C@@H]([NH3+])CC[N@H+]1Cc1ccco1 258737544 573517851 /nfs/dbraw/zinc/51/78/51/573517851.db2.gz JIABJHHBGRKIFD-JTQLQIEISA-N 2 2 194.278 1.591 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[C@H](C)[NH3+])o1 259483451 573518060 /nfs/dbraw/zinc/51/80/60/573518060.db2.gz SMVQHGFVKGOLTI-POYBYMJQSA-N 2 2 168.240 1.325 10 0 ADAELP C[NH2+][C@@H]1CC[C@H](n2cc[nH+]c2)C1 86619810 573518074 /nfs/dbraw/zinc/51/80/74/573518074.db2.gz ZELYFBQGAPNZME-BDAKNGLRSA-N 2 2 165.240 1.196 10 0 ADAELP CC(C)C[N@@H+]1C[C@@H]([NH3+])CCC1(C)C 258733883 573518332 /nfs/dbraw/zinc/51/83/32/573518332.db2.gz IZKWTGPEOZKSEI-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@H+]1C[C@@H]([NH3+])CCC1(C)C 258733883 573518337 /nfs/dbraw/zinc/51/83/37/573518337.db2.gz IZKWTGPEOZKSEI-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@H+]1C[C@@H]([NH2+]CC2CCC2)[C@H](C)C1 308605588 573518430 /nfs/dbraw/zinc/51/84/30/573518430.db2.gz PNQGWVONQGLGCE-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP CC[NH2+][C@H]1CC[C@H](n2cc[nH+]c2)C1 86619815 573518501 /nfs/dbraw/zinc/51/85/01/573518501.db2.gz GHVXLHFOTPBZHK-UWVGGRQHSA-N 2 2 179.267 1.586 10 0 ADAELP CCc1[nH]c([C@H]2CSCC[NH2+]2)c[nH+]1 257823113 573518531 /nfs/dbraw/zinc/51/85/31/573518531.db2.gz GMBLOPRQXXXJSX-MRVPVSSYSA-N 2 2 197.307 1.350 10 0 ADAELP C[NH2+][C@@H]1CC[C@@H](n2cc[nH+]c2)C1 86619812 573520004 /nfs/dbraw/zinc/52/00/04/573520004.db2.gz ZELYFBQGAPNZME-RKDXNWHRSA-N 2 2 165.240 1.196 10 0 ADAELP CC1(C)[C@H]([NH3+])CC[N@@H+]1Cc1ccco1 258737545 573520087 /nfs/dbraw/zinc/52/00/87/573520087.db2.gz JIABJHHBGRKIFD-SNVBAGLBSA-N 2 2 194.278 1.591 10 0 ADAELP CC1(C)[C@H]([NH3+])CC[N@H+]1Cc1ccco1 258737545 573520094 /nfs/dbraw/zinc/52/00/94/573520094.db2.gz JIABJHHBGRKIFD-SNVBAGLBSA-N 2 2 194.278 1.591 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CCC2)C1 308605585 573520194 /nfs/dbraw/zinc/52/01/94/573520194.db2.gz PNQGWVONQGLGCE-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CCC2)C1 308605585 573520205 /nfs/dbraw/zinc/52/02/05/573520205.db2.gz PNQGWVONQGLGCE-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[C@H](C)[NH3+])o1 259483460 573520260 /nfs/dbraw/zinc/52/02/60/573520260.db2.gz SMVQHGFVKGOLTI-XPUUQOCRSA-N 2 2 168.240 1.325 10 0 ADAELP C[C@H]([NH3+])C[C@@H]([NH3+])c1ccco1 238424448 573520624 /nfs/dbraw/zinc/52/06/24/573520624.db2.gz ZIZVDWYYQQBHPH-NKWVEPMBSA-N 2 2 154.213 1.017 10 0 ADAELP C[NH+](C)CC(C)(C)[NH2+]CC(C)(C)C 308612990 573521397 /nfs/dbraw/zinc/52/13/97/573521397.db2.gz IBZXCHFRLMCLCK-UHFFFAOYSA-N 2 2 186.343 1.962 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 235613428 573521403 /nfs/dbraw/zinc/52/14/03/573521403.db2.gz MAIVLFJUGBGYPH-QWRGUYRKSA-N 2 2 182.311 1.635 10 0 ADAELP C[C@H]([NH3+])C[C@H]([NH3+])c1ccco1 238425276 573522249 /nfs/dbraw/zinc/52/22/49/573522249.db2.gz ZIZVDWYYQQBHPH-BQBZGAKWSA-N 2 2 154.213 1.017 10 0 ADAELP CC(C)n1c[nH+]c([C@@H](C)C[NH3+])c1 107330558 573523296 /nfs/dbraw/zinc/52/32/96/573523296.db2.gz XIIWJWPKXLVZQT-QMMMGPOBSA-N 2 2 167.256 1.526 10 0 ADAELP [NH3+]CCc1cn(C2CCC2)c[nH+]1 107329099 573524404 /nfs/dbraw/zinc/52/44/04/573524404.db2.gz PHYIRBPWKPLBGN-UHFFFAOYSA-N 2 2 165.240 1.109 10 0 ADAELP CC[NH2+][C@@H]1CC[C@@H](n2cc[nH+]c2)C1 86619816 573524529 /nfs/dbraw/zinc/52/45/29/573524529.db2.gz GHVXLHFOTPBZHK-NXEZZACHSA-N 2 2 179.267 1.586 10 0 ADAELP CC[NH2+][C@H]1CC[C@@H](n2cc[nH+]c2)C1 86619817 573524731 /nfs/dbraw/zinc/52/47/31/573524731.db2.gz GHVXLHFOTPBZHK-VHSXEESVSA-N 2 2 179.267 1.586 10 0 ADAELP C[NH2+][C@H]([NH+](C)C)C(C)(C)C 259489494 573525297 /nfs/dbraw/zinc/52/52/97/573525297.db2.gz LCJUVFFTEFTHKS-SSDOTTSWSA-N 2 2 144.262 1.140 10 0 ADAELP C[NH2+]C[C@H]1CCCc2[nH+]c[nH]c21 107329189 573525769 /nfs/dbraw/zinc/52/57/69/573525769.db2.gz YVMRZGYPMCQGER-SSDOTTSWSA-N 2 2 165.240 1.049 10 0 ADAELP C[NH2+]C[C@H]1CCCc2[nH]c[nH+]c21 107329189 573525774 /nfs/dbraw/zinc/52/57/74/573525774.db2.gz YVMRZGYPMCQGER-SSDOTTSWSA-N 2 2 165.240 1.049 10 0 ADAELP Cc1[nH]c[nH+]c1-c1ccccc1C[NH3+] 257827004 573525875 /nfs/dbraw/zinc/52/58/75/573525875.db2.gz HRKFGJJLUJLXBC-UHFFFAOYSA-N 2 2 187.246 1.844 10 0 ADAELP C[C@@H](C[NH3+])c1cn(C2CC2)c[nH+]1 107329091 573526427 /nfs/dbraw/zinc/52/64/27/573526427.db2.gz SZDHHWOBXISZLH-ZETCQYMHSA-N 2 2 165.240 1.280 10 0 ADAELP CCc1[nH+]c(C2(C[NH3+])CCC2)[nH]c1C 258744069 573527677 /nfs/dbraw/zinc/52/76/77/573527677.db2.gz QLXJHZMTTBIOJO-UHFFFAOYSA-N 2 2 193.294 1.661 10 0 ADAELP CCc1[nH]c(C2(C[NH3+])CCC2)[nH+]c1C 258744069 573527681 /nfs/dbraw/zinc/52/76/81/573527681.db2.gz QLXJHZMTTBIOJO-UHFFFAOYSA-N 2 2 193.294 1.661 10 0 ADAELP C[C@@H]([NH3+])C[C@H]([NH3+])c1ccco1 238426364 573528156 /nfs/dbraw/zinc/52/81/56/573528156.db2.gz ZIZVDWYYQQBHPH-RQJHMYQMSA-N 2 2 154.213 1.017 10 0 ADAELP Cc1[nH+]c(CC[NH3+])[nH]c1[C@@H]1CCCO1 258052524 573529204 /nfs/dbraw/zinc/52/92/04/573529204.db2.gz KCNDYROMGMKZHM-QMMMGPOBSA-N 2 2 195.266 1.071 10 0 ADAELP Cc1[nH+]c(CC[NH3+])[nH]c1[C@H]1CCCO1 258052522 573529458 /nfs/dbraw/zinc/52/94/58/573529458.db2.gz KCNDYROMGMKZHM-MRVPVSSYSA-N 2 2 195.266 1.071 10 0 ADAELP C[C@H]1CCc2c[nH+]c(C3C[NH2+]C3)n2C1 257827622 573529940 /nfs/dbraw/zinc/52/99/40/573529940.db2.gz IAACNDILDVIEEP-QMMMGPOBSA-N 2 2 191.278 1.152 10 0 ADAELP C[C@@H]1CCc2c[nH+]c(C3C[NH2+]C3)n2C1 257827621 573530288 /nfs/dbraw/zinc/53/02/88/573530288.db2.gz IAACNDILDVIEEP-MRVPVSSYSA-N 2 2 191.278 1.152 10 0 ADAELP C[C@@]12CCCC[C@@H]1[NH2+]C[NH2+]C2 238430157 573530169 /nfs/dbraw/zinc/53/01/69/573530169.db2.gz IJGZSWZGARGIFA-IUCAKERBSA-N 2 2 154.257 1.086 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+](C)Cc1cc[nH]c1 258756624 573531078 /nfs/dbraw/zinc/53/10/78/573531078.db2.gz GWEYAPJSHIZPEU-UHFFFAOYSA-N 2 2 195.310 1.445 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+](C)Cc1cc[nH]c1 258756624 573531084 /nfs/dbraw/zinc/53/10/84/573531084.db2.gz GWEYAPJSHIZPEU-UHFFFAOYSA-N 2 2 195.310 1.445 10 0 ADAELP Cc1ccsc1[C@H]([NH3+])C[NH2+]C1CC1 259493160 573535229 /nfs/dbraw/zinc/53/52/29/573535229.db2.gz TWQWPGIXBIAWQG-SECBINFHSA-N 2 2 196.319 1.808 10 0 ADAELP Cc1[nH]c[nH+]c1-c1ccc(C[NH3+])cc1 257828604 573532747 /nfs/dbraw/zinc/53/27/47/573532747.db2.gz ILPFOIYGUDNRPE-UHFFFAOYSA-N 2 2 187.246 1.844 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccccc1C 259490226 573532761 /nfs/dbraw/zinc/53/27/61/573532761.db2.gz SWJMQYXKIMMCKX-NSHDSACASA-N 2 2 178.279 1.604 10 0 ADAELP CCC[N@@H+]1CCCC[NH2+]C(C)(C)C1 259488596 573532813 /nfs/dbraw/zinc/53/28/13/573532813.db2.gz RXQKFNQVRHUGEM-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[N@H+]1CCCC[NH2+]C(C)(C)C1 259488596 573532819 /nfs/dbraw/zinc/53/28/19/573532819.db2.gz RXQKFNQVRHUGEM-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCCC[NH2+]2)OC1 258756338 573532959 /nfs/dbraw/zinc/53/29/59/573532959.db2.gz WPDCADPGOBSDSD-GMTAPVOTSA-N 2 2 198.310 1.101 10 0 ADAELP Cc1[nH]c(C2C[NH2+]C2)[nH+]c1C(C)(C)C 257828080 573533555 /nfs/dbraw/zinc/53/35/55/573533555.db2.gz IGHFRJCXUQPPLY-UHFFFAOYSA-N 2 2 193.294 1.702 10 0 ADAELP Cc1[nH+]c(C2C[NH2+]C2)[nH]c1C(C)(C)C 257828080 573533556 /nfs/dbraw/zinc/53/35/56/573533556.db2.gz IGHFRJCXUQPPLY-UHFFFAOYSA-N 2 2 193.294 1.702 10 0 ADAELP C[C@@H]1C[NH2+][C@](C)([C@H]2CCCC[NH2+]2)OC1 258756350 573534557 /nfs/dbraw/zinc/53/45/57/573534557.db2.gz WPDCADPGOBSDSD-MXWKQRLJSA-N 2 2 198.310 1.101 10 0 ADAELP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCCC[NH2+]2)OC1 258756360 573534654 /nfs/dbraw/zinc/53/46/54/573534654.db2.gz WPDCADPGOBSDSD-OUAUKWLOSA-N 2 2 198.310 1.101 10 0 ADAELP Cc1c[nH+]cc(CCC2([NH3+])CC2)c1 257828561 573534664 /nfs/dbraw/zinc/53/46/64/573534664.db2.gz IISQRUMZQJSLQE-UHFFFAOYSA-N 2 2 176.263 1.814 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccc(F)c(C)c1 259494608 573534702 /nfs/dbraw/zinc/53/47/02/573534702.db2.gz UAQWJXUPHUATLY-LLVKDONJSA-N 2 2 196.269 1.743 10 0 ADAELP COc1cccc([C@@H]([NH3+])C(C)(C)[NH3+])c1 259494554 573534915 /nfs/dbraw/zinc/53/49/15/573534915.db2.gz TZHRTHVQBMEQOY-SNVBAGLBSA-N 2 2 194.278 1.432 10 0 ADAELP CC(C)c1[nH]c(CC2C[NH2+]C2)c[nH+]1 257828181 573535028 /nfs/dbraw/zinc/53/50/28/573535028.db2.gz IGWSNSXPCMHXOT-UHFFFAOYSA-N 2 2 179.267 1.295 10 0 ADAELP C[NH2+]CCc1c[nH+]c2ccc(F)cn12 107356529 573538855 /nfs/dbraw/zinc/53/88/55/573538855.db2.gz WBGSPOHWSJTHOE-UHFFFAOYSA-N 2 2 193.225 1.235 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1cc(C)ccc1C 259493165 573538580 /nfs/dbraw/zinc/53/85/80/573538580.db2.gz TWRUGSCPKAFJAZ-GFCCVEGCSA-N 2 2 192.306 1.913 10 0 ADAELP Cc1[nH+]c(CC[NH3+])n2cccc(F)c12 107356540 573538787 /nfs/dbraw/zinc/53/87/87/573538787.db2.gz QRGPPHXKHGGSIW-UHFFFAOYSA-N 2 2 193.225 1.283 10 0 ADAELP C[C@H]([NH3+])Cc1[nH+]cc2c(F)cccn12 107356544 573539655 /nfs/dbraw/zinc/53/96/55/573539655.db2.gz KWTPYUMRNBCCNZ-ZETCQYMHSA-N 2 2 193.225 1.363 10 0 ADAELP Cc1[nH+]cc(C[NH3+])n1CC(C)C 83534521 573539737 /nfs/dbraw/zinc/53/97/37/573539737.db2.gz QOOJRIQUVGFQGU-UHFFFAOYSA-N 2 2 167.256 1.306 10 0 ADAELP Cc1[nH]c[nH+]c1C[C@H]1CCC[NH2+]C1 257829045 573540140 /nfs/dbraw/zinc/54/01/40/573540140.db2.gz IQLALEWVQQMBRI-SECBINFHSA-N 2 2 179.267 1.260 10 0 ADAELP C[N@@H+]1CCc2ccccc2C[C@@H]1C[NH3+] 107352039 573540317 /nfs/dbraw/zinc/54/03/17/573540317.db2.gz ZFEAITFDKLXGQV-GFCCVEGCSA-N 2 2 190.290 1.044 10 0 ADAELP C[N@H+]1CCc2ccccc2C[C@@H]1C[NH3+] 107352039 573540325 /nfs/dbraw/zinc/54/03/25/573540325.db2.gz ZFEAITFDKLXGQV-GFCCVEGCSA-N 2 2 190.290 1.044 10 0 ADAELP C[N@@H+]1CCCC[C@]1(C[NH3+])c1ccco1 258770173 573540627 /nfs/dbraw/zinc/54/06/27/573540627.db2.gz QVFKVADHEKFIQH-NSHDSACASA-N 2 2 194.278 1.549 10 0 ADAELP C[N@H+]1CCCC[C@]1(C[NH3+])c1ccco1 258770173 573540631 /nfs/dbraw/zinc/54/06/31/573540631.db2.gz QVFKVADHEKFIQH-NSHDSACASA-N 2 2 194.278 1.549 10 0 ADAELP CC[N@@H+]1CCO[C@@H]([C@H]([NH3+])C=C(C)C)C1 86654006 573540981 /nfs/dbraw/zinc/54/09/81/573540981.db2.gz CWAHBERXCFTOIV-GHMZBOCLSA-N 2 2 198.310 1.001 10 0 ADAELP C[C@@H]([NH3+])Cc1[nH+]cc2c(F)cccn12 107356547 573541806 /nfs/dbraw/zinc/54/18/06/573541806.db2.gz KWTPYUMRNBCCNZ-SSDOTTSWSA-N 2 2 193.225 1.363 10 0 ADAELP CCCn1c(C[NH3+])c[nH+]c1C 83534530 573543257 /nfs/dbraw/zinc/54/32/57/573543257.db2.gz YZJBCPNYQSYINQ-UHFFFAOYSA-N 2 2 153.229 1.060 10 0 ADAELP [NH3+][C@@H]1CCCC[C@]1([NH3+])c1ccccc1 224285655 573543175 /nfs/dbraw/zinc/54/31/75/573543175.db2.gz AQHKOJNNMBYCFJ-NEPJUHHUSA-N 2 2 190.290 1.742 10 0 ADAELP c1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c[nH]1 258764193 573543218 /nfs/dbraw/zinc/54/32/18/573543218.db2.gz AFOWJLQBLLRDNP-LLVKDONJSA-N 2 2 193.294 1.246 10 0 ADAELP Cc1[nH+]cc(C[NH3+])n1CC1CCCC1 83534526 573543515 /nfs/dbraw/zinc/54/35/15/573543515.db2.gz ZGQLBSHOKGIASH-UHFFFAOYSA-N 2 2 193.294 1.840 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1[C@H]1CCC[NH2+]C1 257825286 573544054 /nfs/dbraw/zinc/54/40/54/573544054.db2.gz HDGDMMAKDIXBPY-VIFPVBQESA-N 2 2 191.278 1.754 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(F)cc1F 259497623 573544167 /nfs/dbraw/zinc/54/41/67/573544167.db2.gz UGOUIIMGRQCLBN-VIFPVBQESA-N 2 2 186.205 1.184 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1ccc(OC)cc1 259119404 573545358 /nfs/dbraw/zinc/54/53/58/573545358.db2.gz AJKQGSJZDYFVII-NSHDSACASA-N 2 2 194.278 1.175 10 0 ADAELP C[N@@H+]1CCCC[C@@]1(C[NH3+])c1ccco1 258770170 573545449 /nfs/dbraw/zinc/54/54/49/573545449.db2.gz QVFKVADHEKFIQH-LLVKDONJSA-N 2 2 194.278 1.549 10 0 ADAELP C[N@H+]1CCCC[C@@]1(C[NH3+])c1ccco1 258770170 573545451 /nfs/dbraw/zinc/54/54/51/573545451.db2.gz QVFKVADHEKFIQH-LLVKDONJSA-N 2 2 194.278 1.549 10 0 ADAELP C[C@@H](C[NH3+])CCNc1cccc[nH+]1 258764400 573545681 /nfs/dbraw/zinc/54/56/81/573545681.db2.gz AHVDHRYXJYBPPJ-SECBINFHSA-N 2 2 179.267 1.478 10 0 ADAELP CC(C)Cc1c[nH]c(C2C[NH2+]C2)[nH+]1 257825563 573547279 /nfs/dbraw/zinc/54/72/79/573547279.db2.gz HDMUBOROBKRPAW-UHFFFAOYSA-N 2 2 179.267 1.295 10 0 ADAELP C[NH2+]C[C@@H]1C[NH2+]Cc2c(F)cccc21 257826254 573547369 /nfs/dbraw/zinc/54/73/69/573547369.db2.gz HMZNEUCJWKCZKL-MRVPVSSYSA-N 2 2 194.253 1.232 10 0 ADAELP CCc1[nH]c(CC[NH3+])[nH+]c1C1CCC1 257825851 573547701 /nfs/dbraw/zinc/54/77/01/573547701.db2.gz HKBBKNFSNIKPOD-UHFFFAOYSA-N 2 2 193.294 1.741 10 0 ADAELP CCc1[nH+]c(CC[NH3+])[nH]c1C1CCC1 257825851 573547703 /nfs/dbraw/zinc/54/77/03/573547703.db2.gz HKBBKNFSNIKPOD-UHFFFAOYSA-N 2 2 193.294 1.741 10 0 ADAELP Nc1[nH+]cccc1C1=C[C@H]([NH3+])CC1 83548520 573548076 /nfs/dbraw/zinc/54/80/76/573548076.db2.gz OWYJGLZTURNRGP-MRVPVSSYSA-N 2 2 175.235 1.168 10 0 ADAELP Nc1[nH+]cccc1CC1=C[C@H]([NH3+])CC1 83548522 573548700 /nfs/dbraw/zinc/54/87/00/573548700.db2.gz SCBPUEQNJRFHRN-SNVBAGLBSA-N 2 2 189.262 1.254 10 0 ADAELP Cc1[nH]c(C[NH2+]CCC2CCC2)c[nH+]1 130338548 573548750 /nfs/dbraw/zinc/54/87/50/573548750.db2.gz XIKNRASAGJDOEQ-UHFFFAOYSA-N 2 2 193.294 1.998 10 0 ADAELP [NH3+]CCc1[nH+]ccn1C1CCCCC1 107358119 573548989 /nfs/dbraw/zinc/54/89/89/573548989.db2.gz MHNQMAPWYCZBMQ-UHFFFAOYSA-N 2 2 193.294 1.890 10 0 ADAELP CC(C)C1C[NH+](C[C@@H]2CCC[NH2+]2)C1 86663436 573553485 /nfs/dbraw/zinc/55/34/85/573553485.db2.gz SVMSFMSKJYIBQS-NSHDSACASA-N 2 2 182.311 1.326 10 0 ADAELP C1CC[C@@H](C[NH+]2CC3(CC3)C2)[NH2+]C1 86663232 573550443 /nfs/dbraw/zinc/55/04/43/573550443.db2.gz PLTWAOZJAPWFLV-JTQLQIEISA-N 2 2 180.295 1.224 10 0 ADAELP Cc1nc(N[C@@H](C[NH3+])C(C)C)cc[nH+]1 83568970 573550452 /nfs/dbraw/zinc/55/04/52/573550452.db2.gz QGUBBCYFDZQUHI-VIFPVBQESA-N 2 2 194.282 1.180 10 0 ADAELP CC(C)C1C[NH+](C[C@H]2CCCC[NH2+]2)C1 86663227 573550585 /nfs/dbraw/zinc/55/05/85/573550585.db2.gz NVBQKJCVOBHWFU-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1[NH+]1CC2(CC2)C1 86663185 573550681 /nfs/dbraw/zinc/55/06/81/573550681.db2.gz QIPWTFHPVBZLIG-NXEZZACHSA-N 2 2 180.295 1.352 10 0 ADAELP Cc1cc[nH+]c(N[C@H](C[NH3+])C2CC2)c1 83565563 573550684 /nfs/dbraw/zinc/55/06/84/573550684.db2.gz ZOWQAFNVWZWNHY-SNVBAGLBSA-N 2 2 191.278 1.539 10 0 ADAELP Cc1cccc(N[C@H](C[NH3+])C(C)C)[nH+]1 83569091 573550705 /nfs/dbraw/zinc/55/07/05/573550705.db2.gz LHXMJUWNBZEXGU-SNVBAGLBSA-N 2 2 193.294 1.785 10 0 ADAELP CCC1(CC)C[NH+]([C@@H]2C[C@H]2[NH3+])C1 86662675 573550732 /nfs/dbraw/zinc/55/07/32/573550732.db2.gz SKODRNFBGIFZKQ-RKDXNWHRSA-N 2 2 168.284 1.208 10 0 ADAELP C1CCC2(CC1)C[NH+]([C@H]1CC[NH2+]C1)C2 86663391 573550796 /nfs/dbraw/zinc/55/07/96/573550796.db2.gz ZRACCGYMIVTQOH-NSHDSACASA-N 2 2 194.322 1.614 10 0 ADAELP CC1C[NH+](C[C@@H]2CCCC[NH2+]2)C1 86663216 573550843 /nfs/dbraw/zinc/55/08/43/573550843.db2.gz YHFFRMFFUYZSLP-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP Cc1cccc(N[C@@H](C[NH3+])C2CC2)[nH+]1 83565712 573550935 /nfs/dbraw/zinc/55/09/35/573550935.db2.gz AMCZGLLQJMDRLZ-JTQLQIEISA-N 2 2 191.278 1.539 10 0 ADAELP Cc1cccc(N[C@H](C[NH3+])C2CC2)[nH+]1 83565713 573550998 /nfs/dbraw/zinc/55/09/98/573550998.db2.gz AMCZGLLQJMDRLZ-SNVBAGLBSA-N 2 2 191.278 1.539 10 0 ADAELP CC1(C)C[NH+](C[C@H]2CCC[NH2+]2)C1 86663451 573551031 /nfs/dbraw/zinc/55/10/31/573551031.db2.gz UBAWWNSOQOULLE-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP Cc1ccccc1[C@H]([NH3+])C[NH2+]C(C)C 259120292 573551042 /nfs/dbraw/zinc/55/10/42/573551042.db2.gz BYQDSDVUHMULFL-GFCCVEGCSA-N 2 2 192.306 1.993 10 0 ADAELP CC(C)(C)C1C[NH+]([C@H]2CC[NH2+]C2)C1 86663401 573551087 /nfs/dbraw/zinc/55/10/87/573551087.db2.gz CLYNEGBQLNDWQY-JTQLQIEISA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 130363317 573551113 /nfs/dbraw/zinc/55/11/13/573551113.db2.gz WZOYEHGUFCEWRG-WISYIIOYSA-N 2 2 194.322 1.491 10 0 ADAELP Cc1cc[nH+]c(N[C@H](C[NH3+])C(C)C)c1 83568802 573551293 /nfs/dbraw/zinc/55/12/93/573551293.db2.gz XDYDXMRLCHENFA-SNVBAGLBSA-N 2 2 193.294 1.785 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@@H]1CCCC[NH2+]1 86663221 573554616 /nfs/dbraw/zinc/55/46/16/573554616.db2.gz RYOZMCCIFSTWIV-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)C[NH+](C[C@@H]2CCC[NH2+]2)C1 86663450 573551339 /nfs/dbraw/zinc/55/13/39/573551339.db2.gz UBAWWNSOQOULLE-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)(C)C1C[NH+]([C@@H]2C[C@H]2[NH3+])C1 86662713 573551460 /nfs/dbraw/zinc/55/14/60/573551460.db2.gz VTNHKBPOZSTBHZ-RKDXNWHRSA-N 2 2 168.284 1.064 10 0 ADAELP C1CCC2(CC1)C[NH+]([C@@H]1CC[NH2+]C1)C2 86663390 573551575 /nfs/dbraw/zinc/55/15/75/573551575.db2.gz ZRACCGYMIVTQOH-LLVKDONJSA-N 2 2 194.322 1.614 10 0 ADAELP C[NH2+]CC[NH+]1CC2(CCCCC2)C1 86663477 573551611 /nfs/dbraw/zinc/55/16/11/573551611.db2.gz YLEDEBWUGWKBGK-UHFFFAOYSA-N 2 2 182.311 1.472 10 0 ADAELP CCC1C[NH+](C[C@@H]2CCC[NH2+]2)C1 86663424 573551974 /nfs/dbraw/zinc/55/19/74/573551974.db2.gz LVZCVQZSRNVXQK-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP CCC1(CC)C[NH+]([C@H]2CC[NH2+]C2)C1 86663385 573552007 /nfs/dbraw/zinc/55/20/07/573552007.db2.gz MKHOUWAXUDKZAK-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CCC1(CC)C[NH+]([C@H]2C[C@@H]2[NH3+])C1 86662674 573552086 /nfs/dbraw/zinc/55/20/86/573552086.db2.gz SKODRNFBGIFZKQ-IUCAKERBSA-N 2 2 168.284 1.208 10 0 ADAELP CCC1(CC)C[NH+]([C@H]2C[C@H]2[NH3+])C1 86662676 573552127 /nfs/dbraw/zinc/55/21/27/573552127.db2.gz SKODRNFBGIFZKQ-BDAKNGLRSA-N 2 2 168.284 1.208 10 0 ADAELP Cc1cc[nH+]c(N[C@@H](C[NH3+])C(C)C)c1 83568800 573552150 /nfs/dbraw/zinc/55/21/50/573552150.db2.gz XDYDXMRLCHENFA-JTQLQIEISA-N 2 2 193.294 1.785 10 0 ADAELP CC(C)(C)C1C[NH+](C[C@H]2CCC[NH2+]2)C1 86663441 573552190 /nfs/dbraw/zinc/55/21/90/573552190.db2.gz KIDUCXVIHAYVLS-LLVKDONJSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)(C)C1C[NH+](C[C@@H]2CCC[NH2+]2)C1 86663440 573552222 /nfs/dbraw/zinc/55/22/22/573552222.db2.gz KIDUCXVIHAYVLS-NSHDSACASA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+]CC[NH+]1CC2(CCCCCC2)C1 86663486 573552266 /nfs/dbraw/zinc/55/22/66/573552266.db2.gz NSBWSBIAPKUTCN-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP Cc1cccc(N[C@@H](C[NH3+])C(C)C)[nH+]1 83569089 573552269 /nfs/dbraw/zinc/55/22/69/573552269.db2.gz LHXMJUWNBZEXGU-JTQLQIEISA-N 2 2 193.294 1.785 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@H](C[NH3+])C(C)C)o1 259121711 573552299 /nfs/dbraw/zinc/55/22/99/573552299.db2.gz ALOVUMLSKYFRGW-MWLCHTKSSA-N 2 2 196.294 1.819 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]1 86663221 573554624 /nfs/dbraw/zinc/55/46/24/573554624.db2.gz RYOZMCCIFSTWIV-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP C[NH2+]CC1([C@H]([NH3+])c2ccccn2)CC1 259121576 573552344 /nfs/dbraw/zinc/55/23/44/573552344.db2.gz AKLPFSPNUCERRD-SNVBAGLBSA-N 2 2 191.278 1.081 10 0 ADAELP C1CC[C@@H](C[NH+]2CC3(CCC3)C2)[NH2+]C1 86663228 573552548 /nfs/dbraw/zinc/55/25/48/573552548.db2.gz AFIZZSBBZHRMFL-NSHDSACASA-N 2 2 194.322 1.614 10 0 ADAELP C1C[NH2+][C@H](C[NH+]2CC3(CCCC3)C2)C1 86663432 573552664 /nfs/dbraw/zinc/55/26/64/573552664.db2.gz VXJVPNQDMWLHJA-NSHDSACASA-N 2 2 194.322 1.614 10 0 ADAELP CC(C)(C)C1C[NH+]([C@H]2C[C@@H]2[NH3+])C1 86662712 573552849 /nfs/dbraw/zinc/55/28/49/573552849.db2.gz VTNHKBPOZSTBHZ-IUCAKERBSA-N 2 2 168.284 1.064 10 0 ADAELP CC1(C)C[NH+](C[C@@H]2CCCC[NH2+]2)C1 86663236 573552876 /nfs/dbraw/zinc/55/28/76/573552876.db2.gz CDAQLZBLKIQJBV-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CCc1[nH+]c([C@@H](CC)C[NH2+]C)[nH]c1C 258771021 573552963 /nfs/dbraw/zinc/55/29/63/573552963.db2.gz TVMPTHLFXWLNRW-VIFPVBQESA-N 2 2 195.310 1.994 10 0 ADAELP CCc1[nH]c([C@@H](CC)C[NH2+]C)[nH+]c1C 258771021 573552970 /nfs/dbraw/zinc/55/29/70/573552970.db2.gz TVMPTHLFXWLNRW-VIFPVBQESA-N 2 2 195.310 1.994 10 0 ADAELP Cc1nc(N[C@H](C[NH3+])C(C)C)cc[nH+]1 83568973 573552989 /nfs/dbraw/zinc/55/29/89/573552989.db2.gz QGUBBCYFDZQUHI-SECBINFHSA-N 2 2 194.282 1.180 10 0 ADAELP CCC1(CC)C[NH+]([C@@H]2C[C@@H]2[NH3+])C1 86662673 573553031 /nfs/dbraw/zinc/55/30/31/573553031.db2.gz SKODRNFBGIFZKQ-DTWKUNHWSA-N 2 2 168.284 1.208 10 0 ADAELP C[NH2+]CC1([C@@H]([NH3+])c2ccccn2)CC1 259121574 573553089 /nfs/dbraw/zinc/55/30/89/573553089.db2.gz AKLPFSPNUCERRD-JTQLQIEISA-N 2 2 191.278 1.081 10 0 ADAELP [NH3+][C@H]1CCCC[C@@H]1[NH+]1CC2(CC2)C1 86663186 573553288 /nfs/dbraw/zinc/55/32/88/573553288.db2.gz QIPWTFHPVBZLIG-UWVGGRQHSA-N 2 2 180.295 1.352 10 0 ADAELP C1C[NH2+][C@H](C[NH+]2CC3(CCC3)C2)C1 86663439 573553470 /nfs/dbraw/zinc/55/34/70/573553470.db2.gz KLNUYSVDIWGJMH-JTQLQIEISA-N 2 2 180.295 1.224 10 0 ADAELP CC(C)(C)C1C[NH+]([C@@H]2C[C@@H]2[NH3+])C1 86662711 573553671 /nfs/dbraw/zinc/55/36/71/573553671.db2.gz VTNHKBPOZSTBHZ-DTWKUNHWSA-N 2 2 168.284 1.064 10 0 ADAELP CCC1(CC)C[NH+](CC[NH3+])C1 86662923 573553692 /nfs/dbraw/zinc/55/36/92/573553692.db2.gz VYLZEFLBPAQOGD-UHFFFAOYSA-N 2 2 156.273 1.067 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1C1CC1 308630972 573554558 /nfs/dbraw/zinc/55/45/58/573554558.db2.gz YYJCQTHPLFJHQZ-VXGBXAGGSA-N 2 2 196.338 1.716 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@@H](C[NH3+])C(C)C)o1 259121713 573553795 /nfs/dbraw/zinc/55/37/95/573553795.db2.gz ALOVUMLSKYFRGW-ONGXEEELSA-N 2 2 196.294 1.819 10 0 ADAELP Cc1cc[nH+]c(N[C@@H](C[NH3+])C2CC2)c1 83565562 573553805 /nfs/dbraw/zinc/55/38/05/573553805.db2.gz ZOWQAFNVWZWNHY-JTQLQIEISA-N 2 2 191.278 1.539 10 0 ADAELP Cc1cc(N[C@@H](C[NH3+])C(C)C)nc[nH+]1 83568873 573553823 /nfs/dbraw/zinc/55/38/23/573553823.db2.gz SRSAWBJSMAPBTD-VIFPVBQESA-N 2 2 194.282 1.180 10 0 ADAELP CC(C)C1C[NH+](C[C@@H]2CCCC[NH2+]2)C1 86663226 573553934 /nfs/dbraw/zinc/55/39/34/573553934.db2.gz NVBQKJCVOBHWFU-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CC1(C)C[NH+](C[C@H]2CCCC[NH2+]2)C1 86663237 573554069 /nfs/dbraw/zinc/55/40/69/573554069.db2.gz CDAQLZBLKIQJBV-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@H](C[NH3+])C(C)C)o1 259121707 573554081 /nfs/dbraw/zinc/55/40/81/573554081.db2.gz ALOVUMLSKYFRGW-KOLCDFICSA-N 2 2 196.294 1.819 10 0 ADAELP CCCC1C[NH+]([C@H]2CC[NH2+]C2)C1 86663379 573554202 /nfs/dbraw/zinc/55/42/02/573554202.db2.gz UAAJAPDLGFPPQA-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C1CC[C@H](C[NH+]2CC3(CC3)C2)[NH2+]C1 86663233 573554231 /nfs/dbraw/zinc/55/42/31/573554231.db2.gz PLTWAOZJAPWFLV-SNVBAGLBSA-N 2 2 180.295 1.224 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCC2)C1 130352185 573554263 /nfs/dbraw/zinc/55/42/63/573554263.db2.gz QSNMDSLSVNEXKX-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+]CCC2CCC2)C1 130352185 573554270 /nfs/dbraw/zinc/55/42/70/573554270.db2.gz QSNMDSLSVNEXKX-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1ccccc1[C@@H]([NH3+])C[NH2+]C(C)C 259120293 573554375 /nfs/dbraw/zinc/55/43/75/573554375.db2.gz BYQDSDVUHMULFL-LBPRGKRZSA-N 2 2 192.306 1.993 10 0 ADAELP CCCC1C[NH+](C[C@@H](C)[NH3+])C1 86678806 573560994 /nfs/dbraw/zinc/56/09/94/573560994.db2.gz QMGYUZSNSKINJB-MRVPVSSYSA-N 2 2 156.273 1.066 10 0 ADAELP C[C@H]1CC[N@@H+]1[C@@H]1CCCC[NH2+]C1 86679242 573556839 /nfs/dbraw/zinc/55/68/39/573556839.db2.gz DZGCVCQWKXSLFI-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[N@H+]1[C@@H]1CCCC[NH2+]C1 86679242 573556847 /nfs/dbraw/zinc/55/68/47/573556847.db2.gz DZGCVCQWKXSLFI-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@@H](C[NH3+])[NH+]1CC(C)(C)C1 86679675 573556863 /nfs/dbraw/zinc/55/68/63/573556863.db2.gz CTQHZLZYPFYWJA-QMMMGPOBSA-N 2 2 156.273 1.066 10 0 ADAELP C[C@H](C[NH3+])[NH+]1CC2(CCCCC2)C1 86678898 573558296 /nfs/dbraw/zinc/55/82/96/573558296.db2.gz LOKIGCYFEOHLFQ-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP CCc1[nH+]c([C@H](CC)C[NH2+]C)[nH]c1C 258771018 573556582 /nfs/dbraw/zinc/55/65/82/573556582.db2.gz TVMPTHLFXWLNRW-SECBINFHSA-N 2 2 195.310 1.994 10 0 ADAELP CCc1[nH]c([C@H](CC)C[NH2+]C)[nH+]c1C 258771018 573556585 /nfs/dbraw/zinc/55/65/85/573556585.db2.gz TVMPTHLFXWLNRW-SECBINFHSA-N 2 2 195.310 1.994 10 0 ADAELP CCCC1C[NH+]([C@H]2CCC[NH2+]C2)C1 86678642 573556696 /nfs/dbraw/zinc/55/66/96/573556696.db2.gz UYUXLJMZVVXEAF-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1C1CC1 308630971 573556745 /nfs/dbraw/zinc/55/67/45/573556745.db2.gz YYJCQTHPLFJHQZ-RYUDHWBXSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1CC2(CCCCC2)C1 86678966 573556763 /nfs/dbraw/zinc/55/67/63/573556763.db2.gz JXIBJKWELHCIJZ-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP CC(C)(C[NH3+])[NH+]1CC2(CCCC2)C1 86678101 573556801 /nfs/dbraw/zinc/55/68/01/573556801.db2.gz OQXSQRQNJKFIOQ-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1[NH+]1CC2(CCC2)C1 86678308 573557711 /nfs/dbraw/zinc/55/77/11/573557711.db2.gz HQXZXPOCTPKHOS-VHSXEESVSA-N 2 2 180.295 1.352 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H]1C 86677938 573557324 /nfs/dbraw/zinc/55/73/24/573557324.db2.gz QTEGYBNJKLUKKT-SECBINFHSA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CC[C@H]1C 86677938 573557330 /nfs/dbraw/zinc/55/73/30/573557330.db2.gz QTEGYBNJKLUKKT-SECBINFHSA-N 2 2 156.273 1.079 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1[NH+]1CC2(CCC2)C1 86678312 573557376 /nfs/dbraw/zinc/55/73/76/573557376.db2.gz HQXZXPOCTPKHOS-UWVGGRQHSA-N 2 2 180.295 1.352 10 0 ADAELP C[C@@H](C[NH3+])[NH+]1CC2(CCCC2)C1 86678892 573557407 /nfs/dbraw/zinc/55/74/07/573557407.db2.gz WTNHUHXCBZBMJJ-VIFPVBQESA-N 2 2 168.284 1.210 10 0 ADAELP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)[NH3+])cc1 259505721 573557425 /nfs/dbraw/zinc/55/74/25/573557425.db2.gz REYKNWXQNXBOTE-SKDRFNHKSA-N 2 2 192.306 1.857 10 0 ADAELP [NH3+]Cc1[nH]c(C2CC2)[nH+]c1C1CC1 75407300 573557435 /nfs/dbraw/zinc/55/74/35/573557435.db2.gz UQEJFZQHRDEFTO-UHFFFAOYSA-N 2 2 177.251 1.623 10 0 ADAELP CC[C@H](C[NH3+])[NH+]1CC2(CCC2)C1 86679655 573557586 /nfs/dbraw/zinc/55/75/86/573557586.db2.gz SLOVPGVCYFEBHZ-SECBINFHSA-N 2 2 168.284 1.210 10 0 ADAELP Cc1ccc([NH2+]CCCC[NH3+])c(O)c1 259505217 573557645 /nfs/dbraw/zinc/55/76/45/573557645.db2.gz RECWMQIWONERSI-UHFFFAOYSA-N 2 2 194.278 1.851 10 0 ADAELP CC1C[NH+](C[C@H]([NH3+])c2ccccc2)C1 86678051 573557664 /nfs/dbraw/zinc/55/76/64/573557664.db2.gz NSEBLQBDDLRROS-LBPRGKRZSA-N 2 2 190.290 1.638 10 0 ADAELP CCc1ccc([C@H]([NH2+]C)[C@H](C)[NH3+])cc1 259505720 573557735 /nfs/dbraw/zinc/55/77/35/573557735.db2.gz REYKNWXQNXBOTE-JOYOIKCWSA-N 2 2 192.306 1.857 10 0 ADAELP Cc1[nH+]c(C2CC2)[nH]c1C[NH3+] 75407060 573557758 /nfs/dbraw/zinc/55/77/58/573557758.db2.gz XBGWUJZPJDRYSY-UHFFFAOYSA-N 2 2 151.213 1.054 10 0 ADAELP CC(C)[C@@H](C[NH3+])[NH+]1CC2(CC2)C1 86679795 573557780 /nfs/dbraw/zinc/55/77/80/573557780.db2.gz ILBKLSCMPGKISE-SECBINFHSA-N 2 2 168.284 1.066 10 0 ADAELP CCC1C[NH+]([C@@H]2CCC[NH2+]C2)C1 86678643 573557797 /nfs/dbraw/zinc/55/77/97/573557797.db2.gz PAAMLSYRRZBOSB-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)C1C[NH+]([C@@H]2CCC[NH2+]C2)C1 86678663 573557839 /nfs/dbraw/zinc/55/78/39/573557839.db2.gz ZVRVUXGDVJBGPW-LLVKDONJSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)c1[nH]c(C[NH3+])c(C2CC2)[nH+]1 75407299 573557855 /nfs/dbraw/zinc/55/78/55/573557855.db2.gz NMCJUKXAARHYAO-UHFFFAOYSA-N 2 2 179.267 1.869 10 0 ADAELP CC(C)[C@H]([NH3+])C[NH+]1CC2(CCC2)C1 86679333 573557953 /nfs/dbraw/zinc/55/79/53/573557953.db2.gz UMZNNOMGQQCKMV-SNVBAGLBSA-N 2 2 182.311 1.456 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[NH+]1CC2(CCC2)C1 86678310 573558147 /nfs/dbraw/zinc/55/81/47/573558147.db2.gz HQXZXPOCTPKHOS-NXEZZACHSA-N 2 2 180.295 1.352 10 0 ADAELP C[C@H](C[NH3+])[NH+]1CC(c2ccccc2)C1 86678912 573558261 /nfs/dbraw/zinc/55/82/61/573558261.db2.gz BOZJCENHIVBXIL-SNVBAGLBSA-N 2 2 190.290 1.433 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1CC(C)(C)C1 86678998 573558283 /nfs/dbraw/zinc/55/82/83/573558283.db2.gz VIGQWDOCISKQGV-MRVPVSSYSA-N 2 2 156.273 1.066 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CCC1)c1ccccc1 257830715 573558460 /nfs/dbraw/zinc/55/84/60/573558460.db2.gz JDLKPDIZOIJUIH-LBPRGKRZSA-N 2 2 190.290 1.829 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@H]([NH3+])c1ccccc1 86678057 573558666 /nfs/dbraw/zinc/55/86/66/573558666.db2.gz SYNTVWMAQHLEHZ-JQWIXIFHSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@H]([NH3+])c1ccccc1 86678057 573558682 /nfs/dbraw/zinc/55/86/82/573558682.db2.gz SYNTVWMAQHLEHZ-JQWIXIFHSA-N 2 2 190.290 1.781 10 0 ADAELP CCc1[nH+]c(C2CC2)[nH]c1C[NH3+] 75407143 573559484 /nfs/dbraw/zinc/55/94/84/573559484.db2.gz MWRONYCUIYECEV-UHFFFAOYSA-N 2 2 165.240 1.308 10 0 ADAELP C[N@@H+]1CCC[NH2+]C[C@@H]1c1cccs1 82385579 573559168 /nfs/dbraw/zinc/55/91/68/573559168.db2.gz PFFRQYDYFAVENR-SECBINFHSA-N 2 2 196.319 1.714 10 0 ADAELP C[N@H+]1CCC[NH2+]C[C@@H]1c1cccs1 82385579 573559175 /nfs/dbraw/zinc/55/91/75/573559175.db2.gz PFFRQYDYFAVENR-SECBINFHSA-N 2 2 196.319 1.714 10 0 ADAELP C[C@H](C[NH3+])[NH+]1CC2(CCCCCC2)C1 86678935 573559271 /nfs/dbraw/zinc/55/92/71/573559271.db2.gz FEZAIEWNHLPVKV-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1CC2(CCCCC2)C1 86678833 573559284 /nfs/dbraw/zinc/55/92/84/573559284.db2.gz AVKVGNZPZXAQGL-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP C[C@H]([NH3+])C[NH+]1CC2(CCCCC2)C1 86678830 573559293 /nfs/dbraw/zinc/55/92/93/573559293.db2.gz AVKVGNZPZXAQGL-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP CCC1C[NH+]([C@H]2CCCC[NH2+]C2)C1 86679230 573559337 /nfs/dbraw/zinc/55/93/37/573559337.db2.gz FGKQSLRADFNTQN-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86678963 573559368 /nfs/dbraw/zinc/55/93/68/573559368.db2.gz DFMQDVLWCPPTSR-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP [NH3+]C[C@H](C1CC1)[NH+]1CC2(CCC2)C1 86679589 573562161 /nfs/dbraw/zinc/56/21/61/573562161.db2.gz OBOGANXFBGCIQU-SNVBAGLBSA-N 2 2 180.295 1.210 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CC2(CCC2)C1 86678314 573561080 /nfs/dbraw/zinc/56/10/80/573561080.db2.gz HQXZXPOCTPKHOS-ZJUUUORDSA-N 2 2 180.295 1.352 10 0 ADAELP C[C@H]([NH3+])C[NH+]1CC2(CCCCCC2)C1 86678866 573561014 /nfs/dbraw/zinc/56/10/14/573561014.db2.gz RGEVZOWVZWCXAB-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP CCC1C[NH+]([C@H]2CCC[NH2+]C2)C1 86678644 573560752 /nfs/dbraw/zinc/56/07/52/573560752.db2.gz PAAMLSYRRZBOSB-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP CCCC1C[NH+]([C@H]2CCCC[NH2+]C2)C1 86679227 573560799 /nfs/dbraw/zinc/56/07/99/573560799.db2.gz GGZCLCXQDVFJJZ-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1CC2(CCCCCC2)C1 86678868 573560846 /nfs/dbraw/zinc/56/08/46/573560846.db2.gz RGEVZOWVZWCXAB-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]1C 86677940 573560904 /nfs/dbraw/zinc/56/09/04/573560904.db2.gz QTEGYBNJKLUKKT-VIFPVBQESA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H]1C 86677940 573560911 /nfs/dbraw/zinc/56/09/11/573560911.db2.gz QTEGYBNJKLUKKT-VIFPVBQESA-N 2 2 156.273 1.079 10 0 ADAELP CC1(C)C[NH+]([C@H]2CCC[NH2+]C2)C1 86678690 573560924 /nfs/dbraw/zinc/56/09/24/573560924.db2.gz JTTJMYQAUWNMJC-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP CCC1(CC)C[NH+]([C@@H]2CCC[NH2+]C2)C1 86678648 573560940 /nfs/dbraw/zinc/56/09/40/573560940.db2.gz JJYNVSBZZZWXHL-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CO[C@H](C)CC[NH2+]Cc1c[nH+]c(C)[nH]1 308621866 573561410 /nfs/dbraw/zinc/56/14/10/573561410.db2.gz UFVHUTYXKDYJHT-MRVPVSSYSA-N 2 2 197.282 1.233 10 0 ADAELP CC[C@@H](C[NH3+])[NH+]1CC2(CCCC2)C1 86679641 573561475 /nfs/dbraw/zinc/56/14/75/573561475.db2.gz YMMXDXQMWNAMCZ-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP CC(C)C1C[NH+]([C@H]2CCC[NH2+]C2)C1 86678665 573561510 /nfs/dbraw/zinc/56/15/10/573561510.db2.gz ZVRVUXGDVJBGPW-NSHDSACASA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)(C[NH3+])[NH+]1CC2(CCCCC2)C1 86678103 573561848 /nfs/dbraw/zinc/56/18/48/573561848.db2.gz KYMUBFHPDBIPSN-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP CC1(C)C[NH+]([C@H]2CCCC[NH2+]C2)C1 86679279 573561885 /nfs/dbraw/zinc/56/18/85/573561885.db2.gz NKFYRZQGSCQOEX-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](C[NH3+])[NH+]1CC2(CCCCCC2)C1 86678933 573561898 /nfs/dbraw/zinc/56/18/98/573561898.db2.gz FEZAIEWNHLPVKV-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP Cc1[nH+]c(C(C)C)[nH]c1C[NH3+] 75407059 573561911 /nfs/dbraw/zinc/56/19/11/573561911.db2.gz UQNGXMHRSJEKBK-UHFFFAOYSA-N 2 2 153.229 1.300 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH+]1CC(C)(C)C1 86679356 573561938 /nfs/dbraw/zinc/56/19/38/573561938.db2.gz OYMKOWOWVYHVFF-VIFPVBQESA-N 2 2 170.300 1.312 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 308622933 573561950 /nfs/dbraw/zinc/56/19/50/573561950.db2.gz UTVCYEPTECBSCY-VXGBXAGGSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 308622933 573561956 /nfs/dbraw/zinc/56/19/56/573561956.db2.gz UTVCYEPTECBSCY-VXGBXAGGSA-N 2 2 196.338 1.716 10 0 ADAELP CC1C[NH+]([C@H]2CCCC[NH2+]C2)C1 86679234 573561992 /nfs/dbraw/zinc/56/19/92/573561992.db2.gz GYNNWZUOIULKOR-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP CCCC1C[NH+]([C@H](C)C[NH3+])C1 86678877 573562027 /nfs/dbraw/zinc/56/20/27/573562027.db2.gz YGRCBDJIRQWISV-MRVPVSSYSA-N 2 2 156.273 1.066 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1CC(C)(C)C1 86678996 573562081 /nfs/dbraw/zinc/56/20/81/573562081.db2.gz VIGQWDOCISKQGV-QMMMGPOBSA-N 2 2 156.273 1.066 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1CC2(CCCCC2)C1 86678967 573562107 /nfs/dbraw/zinc/56/21/07/573562107.db2.gz JXIBJKWELHCIJZ-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP CC[C@@H](C[NH3+])[NH+]1CC2(CCC2)C1 86679653 573562121 /nfs/dbraw/zinc/56/21/21/573562121.db2.gz SLOVPGVCYFEBHZ-VIFPVBQESA-N 2 2 168.284 1.210 10 0 ADAELP CC(C)(C)c1c[nH]c(C2C[NH2+]C2)[nH+]1 257830583 573562198 /nfs/dbraw/zinc/56/21/98/573562198.db2.gz JHQUVWYKUMGUQJ-UHFFFAOYSA-N 2 2 179.267 1.394 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(C)c(C)c1 259508805 573562279 /nfs/dbraw/zinc/56/22/79/573562279.db2.gz UZJUANHNPCGSDC-LLVKDONJSA-N 2 2 178.279 1.523 10 0 ADAELP CC1(C)C[NH+](C(C)(C)C[NH3+])C1 86678118 573562362 /nfs/dbraw/zinc/56/23/62/573562362.db2.gz ZEIDBBSGIVKLCS-UHFFFAOYSA-N 2 2 156.273 1.066 10 0 ADAELP CC(C)(C)C1C[NH+]([C@@H]2CCC[NH2+]C2)C1 86678670 573562485 /nfs/dbraw/zinc/56/24/85/573562485.db2.gz RDBHAZXQNWKKLO-LLVKDONJSA-N 2 2 196.338 1.716 10 0 ADAELP CCC1C[NH+]([C@@H]2CCCC[NH2+]C2)C1 86679228 573562512 /nfs/dbraw/zinc/56/25/12/573562512.db2.gz FGKQSLRADFNTQN-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH+]1CC2(CC2)C1 86679349 573562604 /nfs/dbraw/zinc/56/26/04/573562604.db2.gz TZASCSNNBBQFBD-VIFPVBQESA-N 2 2 168.284 1.066 10 0 ADAELP CC1C[NH+]([C@@H]2CCCC[NH2+]C2)C1 86679232 573562620 /nfs/dbraw/zinc/56/26/20/573562620.db2.gz GYNNWZUOIULKOR-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP CO[C@@H](C)CC[NH2+]Cc1c[nH+]c(C)[nH]1 308621868 573562632 /nfs/dbraw/zinc/56/26/32/573562632.db2.gz UFVHUTYXKDYJHT-QMMMGPOBSA-N 2 2 197.282 1.233 10 0 ADAELP CC1(C)C[NH+]([C@@H]2CCC[NH2+]C2)C1 86678688 573562741 /nfs/dbraw/zinc/56/27/41/573562741.db2.gz JTTJMYQAUWNMJC-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP CCCC1C[NH+](C[C@H](C)[NH3+])C1 86678808 573562754 /nfs/dbraw/zinc/56/27/54/573562754.db2.gz QMGYUZSNSKINJB-QMMMGPOBSA-N 2 2 156.273 1.066 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 130372251 573563054 /nfs/dbraw/zinc/56/30/54/573563054.db2.gz NFZWHSDCNPBCKA-QCNOEVLYSA-N 2 2 196.338 1.857 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 130372251 573563051 /nfs/dbraw/zinc/56/30/51/573563051.db2.gz NFZWHSDCNPBCKA-QCNOEVLYSA-N 2 2 196.338 1.857 10 0 ADAELP [NH3+]C[C@@H]1Cc2ccc(Cl)cc2C[NH2+]1 257831143 573563087 /nfs/dbraw/zinc/56/30/87/573563087.db2.gz JFJNDMHXZUXEHH-JTQLQIEISA-N 2 2 196.681 1.313 10 0 ADAELP CC1(C)C[NH+]([C@@H]2CCCC[NH2+]C2)C1 86679277 573563306 /nfs/dbraw/zinc/56/33/06/573563306.db2.gz NKFYRZQGSCQOEX-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 308622930 573563210 /nfs/dbraw/zinc/56/32/10/573563210.db2.gz UTVCYEPTECBSCY-NEPJUHHUSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 308622930 573563214 /nfs/dbraw/zinc/56/32/14/573563214.db2.gz UTVCYEPTECBSCY-NEPJUHHUSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]([NH3+])C[NH+]1CC(c2ccccc2)C1 86678848 573563250 /nfs/dbraw/zinc/56/32/50/573563250.db2.gz VVYFXSACXKPUDQ-JTQLQIEISA-N 2 2 190.290 1.433 10 0 ADAELP c1[nH]c(C2C[NH2+]C2)[nH+]c1C1CCC1 257831351 573563362 /nfs/dbraw/zinc/56/33/62/573563362.db2.gz JOHADXBHSUNSSH-UHFFFAOYSA-N 2 2 177.251 1.364 10 0 ADAELP C[C@H]([NH3+])CCCN(C)c1cccc[nH+]1 258776801 573563499 /nfs/dbraw/zinc/56/34/99/573563499.db2.gz BDPJKSFQRSEUJM-JTQLQIEISA-N 2 2 193.294 1.645 10 0 ADAELP CC(C)[C@H]([NH3+])C[NH+]1CC(C)(C)C1 86679355 573563829 /nfs/dbraw/zinc/56/38/29/573563829.db2.gz OYMKOWOWVYHVFF-SECBINFHSA-N 2 2 170.300 1.312 10 0 ADAELP CCc1[nH+]c(CC[NH3+])[nH]c1C(C)C 257831118 573563939 /nfs/dbraw/zinc/56/39/39/573563939.db2.gz JMPUYUBMBDSUES-UHFFFAOYSA-N 2 2 181.283 1.597 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@H]([NH3+])c1ccccc1 86678055 573563919 /nfs/dbraw/zinc/56/39/19/573563919.db2.gz SYNTVWMAQHLEHZ-PWSUYJOCSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@H]([NH3+])c1ccccc1 86678055 573563924 /nfs/dbraw/zinc/56/39/24/573563924.db2.gz SYNTVWMAQHLEHZ-PWSUYJOCSA-N 2 2 190.290 1.781 10 0 ADAELP CCc1[nH]c(CC[NH3+])[nH+]c1C(C)C 257831118 573563926 /nfs/dbraw/zinc/56/39/26/573563926.db2.gz JMPUYUBMBDSUES-UHFFFAOYSA-N 2 2 181.283 1.597 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC=C(C)C)C1 308621048 573563932 /nfs/dbraw/zinc/56/39/32/573563932.db2.gz TZDAYVGTBDAASC-NWDGAFQWSA-N 2 2 196.338 1.882 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC=C(C)C)C1 308621048 573563935 /nfs/dbraw/zinc/56/39/35/573563935.db2.gz TZDAYVGTBDAASC-NWDGAFQWSA-N 2 2 196.338 1.882 10 0 ADAELP C1C[NH2+]C[C@@H]([NH+]2CC3(CCCC3)C2)C1 86678657 573563959 /nfs/dbraw/zinc/56/39/59/573563959.db2.gz YAYFNYHYBSQOBE-NSHDSACASA-N 2 2 194.322 1.614 10 0 ADAELP [NH3+]C[C@@H](C1CC1)[NH+]1CC2(CCC2)C1 86679587 573564012 /nfs/dbraw/zinc/56/40/12/573564012.db2.gz OBOGANXFBGCIQU-JTQLQIEISA-N 2 2 180.295 1.210 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 308622931 573564052 /nfs/dbraw/zinc/56/40/52/573564052.db2.gz UTVCYEPTECBSCY-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 308622931 573564059 /nfs/dbraw/zinc/56/40/59/573564059.db2.gz UTVCYEPTECBSCY-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H](C[NH3+])[NH+]1CC2(CCCC2)C1 86678894 573564081 /nfs/dbraw/zinc/56/40/81/573564081.db2.gz WTNHUHXCBZBMJJ-SECBINFHSA-N 2 2 168.284 1.210 10 0 ADAELP CCCC1C[NH+]([C@@H]2CCC[NH2+]C2)C1 86678640 573564129 /nfs/dbraw/zinc/56/41/29/573564129.db2.gz UYUXLJMZVVXEAF-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP C1CC[C@@H]([NH+]2CC3(CCC3)C2)C[NH2+]C1 86679257 573564150 /nfs/dbraw/zinc/56/41/50/573564150.db2.gz JRIKEVNLTISJOH-LLVKDONJSA-N 2 2 194.322 1.614 10 0 ADAELP CCCC1C[NH+]([C@@H](C)C[NH3+])C1 86678875 573564188 /nfs/dbraw/zinc/56/41/88/573564188.db2.gz YGRCBDJIRQWISV-QMMMGPOBSA-N 2 2 156.273 1.066 10 0 ADAELP C[C@@H]([NH3+])CCCN(C)c1cccc[nH+]1 258776806 573564215 /nfs/dbraw/zinc/56/42/15/573564215.db2.gz BDPJKSFQRSEUJM-SNVBAGLBSA-N 2 2 193.294 1.645 10 0 ADAELP C[NH2+][C@H](c1cc[nH]c1)C(C)(C)[NH2+]C 259512092 573564494 /nfs/dbraw/zinc/56/44/94/573564494.db2.gz SVCAJONAQQYLIF-SECBINFHSA-N 2 2 181.283 1.273 10 0 ADAELP CC(C)Cc1[nH]cc([C@@H]2CC[NH2+]C2)[nH+]1 257831437 573564680 /nfs/dbraw/zinc/56/46/80/573564680.db2.gz JKBRCVVMLQOEPL-SECBINFHSA-N 2 2 193.294 1.685 10 0 ADAELP CC(C)Cc1[nH]c([C@@H]2CC[NH2+]C2)c[nH+]1 257831437 573564685 /nfs/dbraw/zinc/56/46/85/573564685.db2.gz JKBRCVVMLQOEPL-SECBINFHSA-N 2 2 193.294 1.685 10 0 ADAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC=C(C)C)C1 308621046 573564751 /nfs/dbraw/zinc/56/47/51/573564751.db2.gz TZDAYVGTBDAASC-NEPJUHHUSA-N 2 2 196.338 1.882 10 0 ADAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC=C(C)C)C1 308621046 573564755 /nfs/dbraw/zinc/56/47/55/573564755.db2.gz TZDAYVGTBDAASC-NEPJUHHUSA-N 2 2 196.338 1.882 10 0 ADAELP CC(C)[N@@H+]1CCCC[NH2+][C@@H](C)C1 259511743 573564952 /nfs/dbraw/zinc/56/49/52/573564952.db2.gz UPCGJYLBMABPTG-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)[N@H+]1CCCC[NH2+][C@@H](C)C1 259511743 573564955 /nfs/dbraw/zinc/56/49/55/573564955.db2.gz UPCGJYLBMABPTG-JTQLQIEISA-N 2 2 170.300 1.469 10 0 ADAELP Cc1[nH+]c2cc([C@H](C)[NH3+])ccc2n1C 75416860 573565000 /nfs/dbraw/zinc/56/50/00/573565000.db2.gz VXXDRKUEHHVITQ-ZETCQYMHSA-N 2 2 189.262 1.901 10 0 ADAELP CC(C)Cc1[nH]cc([C@H]2CC[NH2+]C2)[nH+]1 257831439 573565079 /nfs/dbraw/zinc/56/50/79/573565079.db2.gz JKBRCVVMLQOEPL-VIFPVBQESA-N 2 2 193.294 1.685 10 0 ADAELP CC(C)Cc1[nH]c([C@H]2CC[NH2+]C2)c[nH+]1 257831439 573565083 /nfs/dbraw/zinc/56/50/83/573565083.db2.gz JKBRCVVMLQOEPL-VIFPVBQESA-N 2 2 193.294 1.685 10 0 ADAELP [NH3+]CC[C@H]1CCc2cc[nH+]cc21 107400940 573566578 /nfs/dbraw/zinc/56/65/78/573566578.db2.gz RFDWWFURISJBFE-MRVPVSSYSA-N 2 2 162.236 1.460 10 0 ADAELP [NH3+]C[C@H]1CCCc2c[nH+]ccc21 107401073 573566603 /nfs/dbraw/zinc/56/66/03/573566603.db2.gz CQFWQMIMAQYJPD-MRVPVSSYSA-N 2 2 162.236 1.460 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCc2c[nH+]ccc21 107400977 573566935 /nfs/dbraw/zinc/56/69/35/573566935.db2.gz HUWSWIZEFAFHIC-IONNQARKSA-N 2 2 162.236 1.459 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCc2c[nH+]ccc21 107400973 573566965 /nfs/dbraw/zinc/56/69/65/573566965.db2.gz HUWSWIZEFAFHIC-CBAPKCEASA-N 2 2 162.236 1.459 10 0 ADAELP [NH3+]CC[C@@H]1CCc2cc[nH+]cc21 107400942 573567012 /nfs/dbraw/zinc/56/70/12/573567012.db2.gz RFDWWFURISJBFE-QMMMGPOBSA-N 2 2 162.236 1.460 10 0 ADAELP CC(C)[N@@H+]1CCCC[NH2+][C@H](C)C1 259511744 573567020 /nfs/dbraw/zinc/56/70/20/573567020.db2.gz UPCGJYLBMABPTG-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)[N@H+]1CCCC[NH2+][C@H](C)C1 259511744 573567027 /nfs/dbraw/zinc/56/70/27/573567027.db2.gz UPCGJYLBMABPTG-SNVBAGLBSA-N 2 2 170.300 1.469 10 0 ADAELP C[N@@H+]1CC[C@@H](CCC[NH3+])C(F)(F)C1 257832021 573568138 /nfs/dbraw/zinc/56/81/38/573568138.db2.gz JRFOTRBOQYIVGL-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP C[N@H+]1CC[C@@H](CCC[NH3+])C(F)(F)C1 257832021 573568143 /nfs/dbraw/zinc/56/81/43/573568143.db2.gz JRFOTRBOQYIVGL-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP C[NH2+]C(C)(C)C[NH2+]Cc1cccnc1 258778998 573567871 /nfs/dbraw/zinc/56/78/71/573567871.db2.gz ZPURRADZXQQDCS-UHFFFAOYSA-N 2 2 193.294 1.169 10 0 ADAELP C[NH2+][C@@H](c1cccs1)[C@H]1CCC[NH2+]1 259513614 573570580 /nfs/dbraw/zinc/57/05/80/573570580.db2.gz SXOABYSXMIERKA-PSASIEDQSA-N 2 2 196.319 1.761 10 0 ADAELP CCCC(=[NH2+])NCCc1c[nH]c[nH+]1 83611191 573570765 /nfs/dbraw/zinc/57/07/65/573570765.db2.gz SSXLCBPUOGKIRJ-UHFFFAOYSA-N 2 2 180.255 1.319 10 0 ADAELP CCCC(=[NH2+])NCCc1c[nH+]c[nH]1 83611191 573570770 /nfs/dbraw/zinc/57/07/70/573570770.db2.gz SSXLCBPUOGKIRJ-UHFFFAOYSA-N 2 2 180.255 1.319 10 0 ADAELP C[N@@H+]1CC[C@H](CCC[NH3+])C(F)(F)C1 257832023 573571390 /nfs/dbraw/zinc/57/13/90/573571390.db2.gz JRFOTRBOQYIVGL-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP C[N@H+]1CC[C@H](CCC[NH3+])C(F)(F)C1 257832023 573571394 /nfs/dbraw/zinc/57/13/94/573571394.db2.gz JRFOTRBOQYIVGL-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccccc1OC 259513286 573572851 /nfs/dbraw/zinc/57/28/51/573572851.db2.gz VJBTYUITUJGEEG-SNVBAGLBSA-N 2 2 194.278 1.305 10 0 ADAELP C[NH2+][C@H](c1cccs1)[C@H]1CCC[NH2+]1 259513617 573574277 /nfs/dbraw/zinc/57/42/77/573574277.db2.gz SXOABYSXMIERKA-SCZZXKLOSA-N 2 2 196.319 1.761 10 0 ADAELP COc1ccc(C)cc1[C@@](C)([NH3+])C[NH3+] 259113788 573574651 /nfs/dbraw/zinc/57/46/51/573574651.db2.gz RGZPRIXYSSYUFH-NSHDSACASA-N 2 2 194.278 1.136 10 0 ADAELP CCSCCn1cc[nH+]c1CC[NH3+] 130513496 573575712 /nfs/dbraw/zinc/57/57/12/573575712.db2.gz ZODJPOOMFHFJTC-UHFFFAOYSA-N 2 2 199.323 1.137 10 0 ADAELP Cc1[nH]cc(C[C@@H]2CCCC[NH2+]2)[nH+]1 257832958 573575720 /nfs/dbraw/zinc/57/57/20/573575720.db2.gz KFLCWARTGGTHAE-VIFPVBQESA-N 2 2 179.267 1.403 10 0 ADAELP Cc1[nH]c(C[C@@H]2CCCC[NH2+]2)c[nH+]1 257832958 573575724 /nfs/dbraw/zinc/57/57/24/573575724.db2.gz KFLCWARTGGTHAE-VIFPVBQESA-N 2 2 179.267 1.403 10 0 ADAELP Cc1ccc2c(c1)[C@@H](C[NH3+])[NH2+]CC2 257832923 573576325 /nfs/dbraw/zinc/57/63/25/573576325.db2.gz KDMBPGUDVVNZJU-LLVKDONJSA-N 2 2 176.263 1.141 10 0 ADAELP CCC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C 308635858 573576482 /nfs/dbraw/zinc/57/64/82/573576482.db2.gz AWFZCJNSBYXENL-JTQLQIEISA-N 2 2 195.310 1.907 10 0 ADAELP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C2)CC1 130515645 573577856 /nfs/dbraw/zinc/57/78/56/573577856.db2.gz WMGFEICJCNRIQJ-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C2)CC1 130515645 573577862 /nfs/dbraw/zinc/57/78/62/573577862.db2.gz WMGFEICJCNRIQJ-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1[nH]cc(C[C@H]2CCCC[NH2+]2)[nH+]1 257832957 573578537 /nfs/dbraw/zinc/57/85/37/573578537.db2.gz KFLCWARTGGTHAE-SECBINFHSA-N 2 2 179.267 1.403 10 0 ADAELP Cc1[nH]c(C[C@H]2CCCC[NH2+]2)c[nH+]1 257832957 573578541 /nfs/dbraw/zinc/57/85/41/573578541.db2.gz KFLCWARTGGTHAE-SECBINFHSA-N 2 2 179.267 1.403 10 0 ADAELP C[NH2+]CCCN1CCc2cc[nH+]cc21 258065489 573578774 /nfs/dbraw/zinc/57/87/74/573578774.db2.gz GVSOXFAGCSAOSX-UHFFFAOYSA-N 2 2 191.278 1.054 10 0 ADAELP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C2)CC1 130515834 573579008 /nfs/dbraw/zinc/57/90/08/573579008.db2.gz WMGFEICJCNRIQJ-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C2)CC1 130515834 573579017 /nfs/dbraw/zinc/57/90/17/573579017.db2.gz WMGFEICJCNRIQJ-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CCC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C 308635859 573579121 /nfs/dbraw/zinc/57/91/21/573579121.db2.gz AWFZCJNSBYXENL-SNVBAGLBSA-N 2 2 195.310 1.907 10 0 ADAELP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C2)CC1 130515182 573580451 /nfs/dbraw/zinc/58/04/51/573580451.db2.gz WMGFEICJCNRIQJ-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C2)CC1 130515182 573580456 /nfs/dbraw/zinc/58/04/56/573580456.db2.gz WMGFEICJCNRIQJ-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CSCCCn1cc[nH+]c1CC[NH3+] 130513943 573580561 /nfs/dbraw/zinc/58/05/61/573580561.db2.gz CNTMEZKOLKJIJB-UHFFFAOYSA-N 2 2 199.323 1.137 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@H]2CC[NH2+]C2)o1 259115360 573580809 /nfs/dbraw/zinc/58/08/09/573580809.db2.gz BRQSHCFZQKMNND-WCBMZHEXSA-N 2 2 180.251 1.197 10 0 ADAELP Cc1ccc(CC[NH2+]C[NH3+])c(C)c1 258804010 573580934 /nfs/dbraw/zinc/58/09/34/573580934.db2.gz DSTAUXRMWFKIPG-UHFFFAOYSA-N 2 2 178.279 1.352 10 0 ADAELP COc1ccc(CC[NH2+]C[NH3+])cc1C 258808522 573581410 /nfs/dbraw/zinc/58/14/10/573581410.db2.gz DZTKWJXKPIKNRB-UHFFFAOYSA-N 2 2 194.278 1.052 10 0 ADAELP CC(C)C[N@@H+]1CCC[C@H]([NH3+])C1(C)C 258804148 573581551 /nfs/dbraw/zinc/58/15/51/573581551.db2.gz NLUQYZVBKXTPIJ-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@H+]1CCC[C@H]([NH3+])C1(C)C 258804148 573581557 /nfs/dbraw/zinc/58/15/57/573581557.db2.gz NLUQYZVBKXTPIJ-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)[C@H]1CCC[C@@H]1[NH3+] 258801043 573581761 /nfs/dbraw/zinc/58/17/61/573581761.db2.gz CEWFZVVTDKJBSL-QWRGUYRKSA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)[C@H]1CCC[C@@H]1[NH3+] 258801043 573581767 /nfs/dbraw/zinc/58/17/67/573581767.db2.gz CEWFZVVTDKJBSL-QWRGUYRKSA-N 2 2 193.294 1.326 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@@H]2CC[NH2+]C2)o1 259115353 573582071 /nfs/dbraw/zinc/58/20/71/573582071.db2.gz BRQSHCFZQKMNND-PSASIEDQSA-N 2 2 180.251 1.197 10 0 ADAELP C[NH2+]C[NH2+]CCc1cccc(F)c1 258804062 573582172 /nfs/dbraw/zinc/58/21/72/573582172.db2.gz DTTUKOQRZQVSKB-UHFFFAOYSA-N 2 2 182.242 1.135 10 0 ADAELP CC(C)[C@H](C[NH3+])[N@H+](C)Cc1ccc[nH]1 258806898 573582333 /nfs/dbraw/zinc/58/23/33/573582333.db2.gz KNLMEUMDECHDML-NSHDSACASA-N 2 2 195.310 1.430 10 0 ADAELP CC(C)[C@H](C[NH3+])[N@@H+](C)Cc1ccc[nH]1 258806898 573582338 /nfs/dbraw/zinc/58/23/38/573582338.db2.gz KNLMEUMDECHDML-NSHDSACASA-N 2 2 195.310 1.430 10 0 ADAELP Cc1cccc(C[NH2+]CC(C)(C)[NH3+])n1 308638802 573582420 /nfs/dbraw/zinc/58/24/20/573582420.db2.gz CBVUVTFOYPJBOX-UHFFFAOYSA-N 2 2 193.294 1.217 10 0 ADAELP CCc1[nH]c(C)c([C@H]2CCC[NH2+]C2)[nH+]1 257833091 573582448 /nfs/dbraw/zinc/58/24/48/573582448.db2.gz KAFYKTPFFBQGCG-VIFPVBQESA-N 2 2 193.294 1.748 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1ccncc1 259518224 573582466 /nfs/dbraw/zinc/58/24/66/573582466.db2.gz VREXXBPHHSCUSL-VIFPVBQESA-N 2 2 179.267 1.079 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@@H]2CC[NH2+]C2)o1 259115357 573582505 /nfs/dbraw/zinc/58/25/05/573582505.db2.gz BRQSHCFZQKMNND-SCZZXKLOSA-N 2 2 180.251 1.197 10 0 ADAELP CC(C)[C@@H](C[NH3+])[N@H+](C)Cc1ccc[nH]1 258806896 573583280 /nfs/dbraw/zinc/58/32/80/573583280.db2.gz KNLMEUMDECHDML-LLVKDONJSA-N 2 2 195.310 1.430 10 0 ADAELP CC(C)[C@@H](C[NH3+])[N@@H+](C)Cc1ccc[nH]1 258806896 573583284 /nfs/dbraw/zinc/58/32/84/573583284.db2.gz KNLMEUMDECHDML-LLVKDONJSA-N 2 2 195.310 1.430 10 0 ADAELP CCCC(C)(C)C[NH2+]C[NH3+] 258797386 573583372 /nfs/dbraw/zinc/58/33/72/573583372.db2.gz DCWLZTKBYCFNRC-UHFFFAOYSA-N 2 2 144.262 1.319 10 0 ADAELP C[C@]([NH3+])(C[NH3+])c1ccc(Cl)s1 259115583 573584494 /nfs/dbraw/zinc/58/44/94/573584494.db2.gz RIBYGSLZYKGLCC-ZETCQYMHSA-N 2 2 190.699 1.534 10 0 ADAELP C[C@H](CC[NH3+])CN(C)c1cccc[nH+]1 258802827 573584706 /nfs/dbraw/zinc/58/47/06/573584706.db2.gz DBKOWBNFWBBRSK-SNVBAGLBSA-N 2 2 193.294 1.503 10 0 ADAELP Cc1ccc(CCC2([NH3+])CC2)c[nH+]1 107408569 573584744 /nfs/dbraw/zinc/58/47/44/573584744.db2.gz LMPXKWLPAFWQEU-UHFFFAOYSA-N 2 2 176.263 1.814 10 0 ADAELP [NH3+][C@@H](c1ccc(Cl)cc1)C1([NH3+])CC1 259115254 573584935 /nfs/dbraw/zinc/58/49/35/573584935.db2.gz ADKABYOFGOCIPH-VIFPVBQESA-N 2 2 196.681 1.831 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C2([NH3+])CC2)cc1C 259519503 573585005 /nfs/dbraw/zinc/58/50/05/573585005.db2.gz SAZVPFPWANFUQS-LLVKDONJSA-N 2 2 190.290 1.795 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)[C@@H]1CCC[C@@H]1[NH3+] 258801044 573585052 /nfs/dbraw/zinc/58/50/52/573585052.db2.gz CEWFZVVTDKJBSL-WDEREUQCSA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)[C@@H]1CCC[C@@H]1[NH3+] 258801044 573585060 /nfs/dbraw/zinc/58/50/60/573585060.db2.gz CEWFZVVTDKJBSL-WDEREUQCSA-N 2 2 193.294 1.326 10 0 ADAELP C[C@@]([NH3+])(C[NH3+])c1ccc(Cl)s1 259115581 573585452 /nfs/dbraw/zinc/58/54/52/573585452.db2.gz RIBYGSLZYKGLCC-SSDOTTSWSA-N 2 2 190.699 1.534 10 0 ADAELP CC(C)[NH2+]C[C@H]([NH+](C)C)C(C)(C)C 259518422 573589896 /nfs/dbraw/zinc/58/98/96/573589896.db2.gz MOCJGKYSAHZTTE-JTQLQIEISA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+]1CCC[C@H]2CCC[C@@H]21 83699982 573590042 /nfs/dbraw/zinc/59/00/42/573590042.db2.gz PCIMFAUFNQBTSG-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@H](C[NH3+])[N@H+]1CCC[C@H]2CCC[C@@H]21 83699982 573590046 /nfs/dbraw/zinc/59/00/46/573590046.db2.gz PCIMFAUFNQBTSG-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[NH2+]C[C@@H]([NH+](C)C)C(C)(C)C 259518425 573591783 /nfs/dbraw/zinc/59/17/83/573591783.db2.gz MOCJGKYSAHZTTE-SNVBAGLBSA-N 2 2 186.343 1.961 10 0 ADAELP C[NH2+]CC1C[NH+](Cc2ccccc2)C1 107420535 573591820 /nfs/dbraw/zinc/59/18/20/573591820.db2.gz RLIWIPRLVJQPLK-UHFFFAOYSA-N 2 2 190.290 1.338 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H]1CC[NH2+]C1 86730085 573594777 /nfs/dbraw/zinc/59/47/77/573594777.db2.gz ODBITVJCKDLEHU-SECBINFHSA-N 2 2 177.251 1.164 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccc(F)c(C)c1 258810752 573594827 /nfs/dbraw/zinc/59/48/27/573594827.db2.gz FHECJKYRCTYJLX-UHFFFAOYSA-N 2 2 196.269 1.443 10 0 ADAELP CCc1c[nH]c(C2(C[NH3+])CCC2)[nH+]1 259137034 573594878 /nfs/dbraw/zinc/59/48/78/573594878.db2.gz RNPKHBYPTYFUMG-UHFFFAOYSA-N 2 2 179.267 1.353 10 0 ADAELP CC1(C)CCC[N@H+](CC(N)=[NH2+])CC1 83680627 573594927 /nfs/dbraw/zinc/59/49/27/573594927.db2.gz GZYYWJRMJUZDEO-UHFFFAOYSA-N 2 2 183.299 1.434 10 0 ADAELP CC1(C)CCC[N@@H+](CC(N)=[NH2+])CC1 83680627 573594931 /nfs/dbraw/zinc/59/49/31/573594931.db2.gz GZYYWJRMJUZDEO-UHFFFAOYSA-N 2 2 183.299 1.434 10 0 ADAELP C[NH2+]CC1(c2[nH]c(C)c(C)[nH+]2)CC1 258809408 573594951 /nfs/dbraw/zinc/59/49/51/573594951.db2.gz XSRKXOBIKTWUKY-UHFFFAOYSA-N 2 2 179.267 1.278 10 0 ADAELP C[NH+](C)[C@@H](c1cccnc1)C1([NH3+])CC1 259136445 573595307 /nfs/dbraw/zinc/59/53/07/573595307.db2.gz JXCQUIZTIUBKIY-JTQLQIEISA-N 2 2 191.278 1.176 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC[C@@H]2CCC[C@H]21 83701212 573596218 /nfs/dbraw/zinc/59/62/18/573596218.db2.gz NSDAJUSQMWAJPB-DTWKUNHWSA-N 2 2 181.283 1.187 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC[C@@H]2CCC[C@H]21 83701212 573596225 /nfs/dbraw/zinc/59/62/25/573596225.db2.gz NSDAJUSQMWAJPB-DTWKUNHWSA-N 2 2 181.283 1.187 10 0 ADAELP CCc1[nH]c(CC[NH3+])[nH+]c1CC(C)C 257833784 573595842 /nfs/dbraw/zinc/59/58/42/573595842.db2.gz KEKVEEOZTOEMGF-UHFFFAOYSA-N 2 2 195.310 1.672 10 0 ADAELP CCc1[nH+]c(CC[NH3+])[nH]c1CC(C)C 257833784 573595850 /nfs/dbraw/zinc/59/58/50/573595850.db2.gz KEKVEEOZTOEMGF-UHFFFAOYSA-N 2 2 195.310 1.672 10 0 ADAELP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccn1 308645468 573596871 /nfs/dbraw/zinc/59/68/71/573596871.db2.gz HCXDAOUQPOHVRM-AEJSXWLSSA-N 2 2 193.294 1.468 10 0 ADAELP Cc1cc[nH+]cc1N[C@H]1CC[NH2+]C1 86730086 573596368 /nfs/dbraw/zinc/59/63/68/573596368.db2.gz ODBITVJCKDLEHU-VIFPVBQESA-N 2 2 177.251 1.164 10 0 ADAELP Cc1cn(C)c([C@@H](C[NH3+])C(C)C)[nH+]1 82395602 573596701 /nfs/dbraw/zinc/59/67/01/573596701.db2.gz QUEFFTIYBAHJEX-VIFPVBQESA-N 2 2 181.283 1.427 10 0 ADAELP C[NH+](C)[C@H](c1ccc[nH]1)C(C)(C)[NH3+] 259526494 573597781 /nfs/dbraw/zinc/59/77/81/573597781.db2.gz MZCOUGCHEMMLLG-SECBINFHSA-N 2 2 181.283 1.355 10 0 ADAELP C[NH2+][C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] 259139301 573597595 /nfs/dbraw/zinc/59/75/95/573597595.db2.gz BBJZGKRZKQGUPD-LDYMZIIASA-N 2 2 194.278 1.303 10 0 ADAELP C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccccn1 308645469 573597715 /nfs/dbraw/zinc/59/77/15/573597715.db2.gz HCXDAOUQPOHVRM-BBBLOLIVSA-N 2 2 193.294 1.468 10 0 ADAELP CC(C)[C@@](C)([NH3+])Cc1[nH+]ccn1C 86750630 573598839 /nfs/dbraw/zinc/59/88/39/573598839.db2.gz KMEVIRVGZQHBGS-JTQLQIEISA-N 2 2 181.283 1.336 10 0 ADAELP C[NH2+][C@@H](c1cccc(OC)c1)[C@H](C)[NH3+] 259139293 573598918 /nfs/dbraw/zinc/59/89/18/573598918.db2.gz BBJZGKRZKQGUPD-GZMMTYOYSA-N 2 2 194.278 1.303 10 0 ADAELP CCn1cc[nH+]c1CC(C)(C)[NH3+] 86750603 573598944 /nfs/dbraw/zinc/59/89/44/573598944.db2.gz KCGLURXMOHLHQP-UHFFFAOYSA-N 2 2 167.256 1.183 10 0 ADAELP Cn1cc[nH+]c1CC1([NH3+])CCCC1 86750571 573598960 /nfs/dbraw/zinc/59/89/60/573598960.db2.gz UKZAUHSAEDSMDR-UHFFFAOYSA-N 2 2 179.267 1.234 10 0 ADAELP CCn1cc[nH+]c1CC1([NH3+])CCCC1 86750569 573598977 /nfs/dbraw/zinc/59/89/77/573598977.db2.gz ATIAIPBRCUFWOI-UHFFFAOYSA-N 2 2 193.294 1.717 10 0 ADAELP C[NH2+][C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] 259139296 573600023 /nfs/dbraw/zinc/60/00/23/573600023.db2.gz BBJZGKRZKQGUPD-KCJUWKMLSA-N 2 2 194.278 1.303 10 0 ADAELP C[C@@H]1CC[C@@]([NH3+])(Cc2[nH+]ccn2C)C1 86750755 573600052 /nfs/dbraw/zinc/60/00/52/573600052.db2.gz OIBLKNBWDDJSRD-KOLCDFICSA-N 2 2 193.294 1.480 10 0 ADAELP CCCn1cc[nH+]c1C[C@H]([NH3+])C(C)C 86751778 573600106 /nfs/dbraw/zinc/60/01/06/573600106.db2.gz MDHZJWCJQOVDED-JTQLQIEISA-N 2 2 195.310 1.819 10 0 ADAELP CC[C@@]1(Cc2[nH+]ccn2C)CCC[NH2+]1 86752879 573600144 /nfs/dbraw/zinc/60/01/44/573600144.db2.gz ODQINULKKJKFRW-NSHDSACASA-N 2 2 193.294 1.495 10 0 ADAELP CC(C)(C[NH3+])[N@@H+]1CCC[C@@H]2CCC[C@@H]21 83700168 573600224 /nfs/dbraw/zinc/60/02/24/573600224.db2.gz XFNFJZSQIQYINW-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)(C[NH3+])[N@H+]1CCC[C@@H]2CCC[C@@H]21 83700168 573600227 /nfs/dbraw/zinc/60/02/27/573600227.db2.gz XFNFJZSQIQYINW-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP CCCC[N@@H+]1CCC[NH2+]C1 75528946 573600239 /nfs/dbraw/zinc/60/02/39/573600239.db2.gz XPDGPXXOOOKSPW-UHFFFAOYSA-N 2 2 142.246 1.039 10 0 ADAELP CCCC[N@H+]1CCC[NH2+]C1 75528946 573600244 /nfs/dbraw/zinc/60/02/44/573600244.db2.gz XPDGPXXOOOKSPW-UHFFFAOYSA-N 2 2 142.246 1.039 10 0 ADAELP Cc1ccc(C)c2c1CC[C@H]([NH3+])[C@@H]2[NH3+] 238457597 573600245 /nfs/dbraw/zinc/60/02/45/573600245.db2.gz XIKGEMRUEHEUIN-JQWIXIFHSA-N 2 2 190.290 1.577 10 0 ADAELP CC[C@@](C)([NH3+])Cc1[nH+]ccn1C 86750615 573600248 /nfs/dbraw/zinc/60/02/48/573600248.db2.gz AJTXZXAFQIROST-SECBINFHSA-N 2 2 167.256 1.090 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@H]2CCC[C@@H]21 83701205 573600470 /nfs/dbraw/zinc/60/04/70/573600470.db2.gz RBVXQCBNPIYNNC-BBBLOLIVSA-N 2 2 195.310 1.575 10 0 ADAELP C[C@H]1CC[C@@]([NH3+])(Cc2[nH+]ccn2C)C1 86750757 573600773 /nfs/dbraw/zinc/60/07/73/573600773.db2.gz OIBLKNBWDDJSRD-ONGXEEELSA-N 2 2 193.294 1.480 10 0 ADAELP C[NH2+]CC1(c2[nH]cc(C(C)C)[nH+]2)CC1 259139276 573600811 /nfs/dbraw/zinc/60/08/11/573600811.db2.gz RPYKTJOBEHHYTD-UHFFFAOYSA-N 2 2 193.294 1.784 10 0 ADAELP C[NH2+][C@H](c1cccc(OC)c1)[C@H](C)[NH3+] 259139298 573600978 /nfs/dbraw/zinc/60/09/78/573600978.db2.gz BBJZGKRZKQGUPD-KWQFWETISA-N 2 2 194.278 1.303 10 0 ADAELP C[NH2+]CCc1cn(CCSC)c[nH+]1 130494269 573600983 /nfs/dbraw/zinc/60/09/83/573600983.db2.gz IPOBWOOLQROLCI-UHFFFAOYSA-N 2 2 199.323 1.008 10 0 ADAELP CC[C@@]1(C[N@H+](C)C2CC2)CCC[NH2+]1 215405048 573601011 /nfs/dbraw/zinc/60/10/11/573601011.db2.gz INFMLMOWUQMLSO-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@]1(C[N@@H+](C)C2CC2)CCC[NH2+]1 215405048 573601015 /nfs/dbraw/zinc/60/10/15/573601015.db2.gz INFMLMOWUQMLSO-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@](C)([NH3+])Cc1[nH+]ccn1C 86750613 573601153 /nfs/dbraw/zinc/60/11/53/573601153.db2.gz AJTXZXAFQIROST-VIFPVBQESA-N 2 2 167.256 1.090 10 0 ADAELP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccn1 308645470 573601173 /nfs/dbraw/zinc/60/11/73/573601173.db2.gz HCXDAOUQPOHVRM-GUBZILKMSA-N 2 2 193.294 1.468 10 0 ADAELP Cn1cc[nH+]c1C[C@]1(C)CCC[NH2+]1 86752867 573601542 /nfs/dbraw/zinc/60/15/42/573601542.db2.gz HAFTUCHEUWYJCV-JTQLQIEISA-N 2 2 179.267 1.105 10 0 ADAELP Cn1cc[nH+]c1CC1([NH3+])CCCCC1 86750577 573601623 /nfs/dbraw/zinc/60/16/23/573601623.db2.gz VHGXUDAHJIZJLR-UHFFFAOYSA-N 2 2 193.294 1.624 10 0 ADAELP C[C@@]1(c2[nH]c(C[NH3+])c[nH+]2)CCSC1 258071351 573603788 /nfs/dbraw/zinc/60/37/88/573603788.db2.gz LMOYPUITGJERKC-SECBINFHSA-N 2 2 197.307 1.263 10 0 ADAELP CC[C@@H]1C[N@H+](CC2CC2)[C@@H](C)CC[NH2+]1 224393645 573602785 /nfs/dbraw/zinc/60/27/85/573602785.db2.gz RHZAFDHNIDFJRJ-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[N@@H+](CC2CC2)[C@@H](C)CC[NH2+]1 224393645 573602796 /nfs/dbraw/zinc/60/27/96/573602796.db2.gz RHZAFDHNIDFJRJ-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@]1(Cc2[nH+]ccn2C)CCC[NH2+]1 86752877 573603084 /nfs/dbraw/zinc/60/30/84/573603084.db2.gz ODQINULKKJKFRW-LLVKDONJSA-N 2 2 193.294 1.495 10 0 ADAELP CCc1[nH]c(C)c(C[C@@H]2CC[NH2+]C2)[nH+]1 257836645 573603157 /nfs/dbraw/zinc/60/31/57/573603157.db2.gz KYBXMRZGOTXBFJ-VIFPVBQESA-N 2 2 193.294 1.433 10 0 ADAELP CCn1cc[nH+]c1C[C@@]1(C)CCC[NH2+]1 86752871 573603427 /nfs/dbraw/zinc/60/34/27/573603427.db2.gz OELMENGKSQJVSF-LLVKDONJSA-N 2 2 193.294 1.588 10 0 ADAELP CCn1cc[nH+]c1C[C@]1(C)CCC[NH2+]1 86752869 573603491 /nfs/dbraw/zinc/60/34/91/573603491.db2.gz OELMENGKSQJVSF-NSHDSACASA-N 2 2 193.294 1.588 10 0 ADAELP CC[NH+](CC)[C@@H](C)C(C)(C)[NH3+] 259527729 573603593 /nfs/dbraw/zinc/60/35/93/573603593.db2.gz AVLVIFURWYZYOC-QMMMGPOBSA-N 2 2 158.289 1.454 10 0 ADAELP CC1(c2c[nH]c([C@@H]3CC[NH2+]C3)[nH+]2)CC1 259525857 573603838 /nfs/dbraw/zinc/60/38/38/573603838.db2.gz AUBIQVBQHWPCCT-MRVPVSSYSA-N 2 2 191.278 1.538 10 0 ADAELP CC[NH+](CC)[C@H](C)C(C)(C)[NH3+] 259527721 573603937 /nfs/dbraw/zinc/60/39/37/573603937.db2.gz AVLVIFURWYZYOC-MRVPVSSYSA-N 2 2 158.289 1.454 10 0 ADAELP C[C@]1(c2[nH]c(C[NH3+])c[nH+]2)CCSC1 258071353 573603982 /nfs/dbraw/zinc/60/39/82/573603982.db2.gz LMOYPUITGJERKC-VIFPVBQESA-N 2 2 197.307 1.263 10 0 ADAELP [NH3+][C@H](c1cccs1)[C@H]1CCCC[NH2+]1 259525486 573603983 /nfs/dbraw/zinc/60/39/83/573603983.db2.gz WBILCDQAEDJXBE-SCZZXKLOSA-N 2 2 196.319 1.890 10 0 ADAELP CCc1[nH]c(C)c(C[C@H]2CC[NH2+]C2)[nH+]1 257836644 573604289 /nfs/dbraw/zinc/60/42/89/573604289.db2.gz KYBXMRZGOTXBFJ-SECBINFHSA-N 2 2 193.294 1.433 10 0 ADAELP CC[C@H]1C[N@H+](CC2CC2)[C@@H](C)CC[NH2+]1 224393690 573604369 /nfs/dbraw/zinc/60/43/69/573604369.db2.gz RHZAFDHNIDFJRJ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@@H+](CC2CC2)[C@@H](C)CC[NH2+]1 224393690 573604373 /nfs/dbraw/zinc/60/43/73/573604373.db2.gz RHZAFDHNIDFJRJ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCCc1c[nH]c(C2(C[NH2+]C)CC2)[nH+]1 259124922 573604406 /nfs/dbraw/zinc/60/44/06/573604406.db2.gz QHGDFDCOMSYSHL-UHFFFAOYSA-N 2 2 193.294 1.613 10 0 ADAELP [NH3+][C@@H](c1cccs1)[C@H]1CCCC[NH2+]1 259525485 573604652 /nfs/dbraw/zinc/60/46/52/573604652.db2.gz WBILCDQAEDJXBE-PSASIEDQSA-N 2 2 196.319 1.890 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1cccc(F)c1 259123635 573604892 /nfs/dbraw/zinc/60/48/92/573604892.db2.gz ANQIREDYMGGHGG-SNVBAGLBSA-N 2 2 182.242 1.306 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+](C)CC1CCC1 258819354 573605158 /nfs/dbraw/zinc/60/51/58/573605158.db2.gz LKPMHLNCQYTHIK-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+](C)CC1CCC1 258819354 573605171 /nfs/dbraw/zinc/60/51/71/573605171.db2.gz LKPMHLNCQYTHIK-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP Cn1cc[nH+]c1C[C@H]1CCCCC[NH2+]1 86753590 573605350 /nfs/dbraw/zinc/60/53/50/573605350.db2.gz XIDXLBYERYEWEQ-SNVBAGLBSA-N 2 2 193.294 1.495 10 0 ADAELP C[NH2+]C[N@H+](C)C1CCCCC1 258819161 573605496 /nfs/dbraw/zinc/60/54/96/573605496.db2.gz GBPUHBALIDNVRY-UHFFFAOYSA-N 2 2 156.273 1.428 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]1CCC[NH2+]1 86753573 573605500 /nfs/dbraw/zinc/60/55/00/573605500.db2.gz ZTNLUOXHRIPGOM-VIFPVBQESA-N 2 2 179.267 1.198 10 0 ADAELP C[NH2+]C[N@@H+](C)C1CCCCC1 258819161 573605505 /nfs/dbraw/zinc/60/55/05/573605505.db2.gz GBPUHBALIDNVRY-UHFFFAOYSA-N 2 2 156.273 1.428 10 0 ADAELP [NH3+][C@@H](Cc1ccccc1)C[NH+]1CCC1 238685990 573605634 /nfs/dbraw/zinc/60/56/34/573605634.db2.gz MZVIRCFGWPLZCG-LBPRGKRZSA-N 2 2 190.290 1.262 10 0 ADAELP Cn1cc[nH+]c1CC1=C[C@@H]([NH3+])CC1 86754413 573605799 /nfs/dbraw/zinc/60/57/99/573605799.db2.gz HDGZRAPYEWWYNQ-VIFPVBQESA-N 2 2 177.251 1.010 10 0 ADAELP c1[nH]c(C2CCC2)[nH+]c1C1C[NH2+]C1 257836334 573605867 /nfs/dbraw/zinc/60/58/67/573605867.db2.gz LCIXKKXVVIRLGT-UHFFFAOYSA-N 2 2 177.251 1.364 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](Cc2[nH+]ccn2C)C1 86753612 573605912 /nfs/dbraw/zinc/60/59/12/573605912.db2.gz GEJPMZDKDLVVJQ-NXEZZACHSA-N 2 2 193.294 1.351 10 0 ADAELP CC1(c2c[nH]c([C@H]3CC[NH2+]C3)[nH+]2)CC1 259525869 573606390 /nfs/dbraw/zinc/60/63/90/573606390.db2.gz AUBIQVBQHWPCCT-QMMMGPOBSA-N 2 2 191.278 1.538 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]1CCCCC[NH2+]1 86753588 573606395 /nfs/dbraw/zinc/60/63/95/573606395.db2.gz XIDXLBYERYEWEQ-JTQLQIEISA-N 2 2 193.294 1.495 10 0 ADAELP Cc1c[nH+]c(CC(C)(C)C[NH3+])[nH]1 259127304 573607643 /nfs/dbraw/zinc/60/76/43/573607643.db2.gz QLQMERVAARTXJT-UHFFFAOYSA-N 2 2 167.256 1.246 10 0 ADAELP Cn1cc[nH+]c1CC1=C[C@H]([NH3+])CCC1 86754397 573607723 /nfs/dbraw/zinc/60/77/23/573607723.db2.gz IETXGDCYJIVQPW-SNVBAGLBSA-N 2 2 191.278 1.400 10 0 ADAELP Cn1cc[nH+]c1CC1=C[C@@H]([NH3+])CCC1 86754398 573607888 /nfs/dbraw/zinc/60/78/88/573607888.db2.gz IETXGDCYJIVQPW-JTQLQIEISA-N 2 2 191.278 1.400 10 0 ADAELP CSCCCCn1c[nH+]cc1C[NH3+] 130572490 573608047 /nfs/dbraw/zinc/60/80/47/573608047.db2.gz ILFFOUUXQLNBCU-UHFFFAOYSA-N 2 2 199.323 1.485 10 0 ADAELP Cn1cc[nH+]c1CC1=C[C@H]([NH3+])CC1 86754411 573608922 /nfs/dbraw/zinc/60/89/22/573608922.db2.gz HDGZRAPYEWWYNQ-SECBINFHSA-N 2 2 177.251 1.010 10 0 ADAELP COc1cccc([C@@H]([NH3+])C2([NH3+])CC2)c1 259127924 573608095 /nfs/dbraw/zinc/60/80/95/573608095.db2.gz ASTBNLPRFJNPRW-SNVBAGLBSA-N 2 2 192.262 1.186 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](Cc2[nH+]ccn2C)C1 86753607 573609299 /nfs/dbraw/zinc/60/92/99/573609299.db2.gz GEJPMZDKDLVVJQ-ZJUUUORDSA-N 2 2 193.294 1.351 10 0 ADAELP CCn1cc[nH+]c1C[C@H]1CCC[NH2+]1 86753575 573608460 /nfs/dbraw/zinc/60/84/60/573608460.db2.gz ZTNLUOXHRIPGOM-SECBINFHSA-N 2 2 179.267 1.198 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C2CCOCC2)[nH]1 83719955 573608523 /nfs/dbraw/zinc/60/85/23/573608523.db2.gz XVXOFIMCFWFFPV-UHFFFAOYSA-N 2 2 195.266 1.023 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1coc2ccccc12 259527371 573608767 /nfs/dbraw/zinc/60/87/67/573608767.db2.gz WDWNNYADKWZWBS-SNVBAGLBSA-N 2 2 190.246 1.652 10 0 ADAELP C[C@H]1CC[NH2+][C@H](Cc2[nH+]ccn2C)C1 86753610 573609209 /nfs/dbraw/zinc/60/92/09/573609209.db2.gz GEJPMZDKDLVVJQ-UWVGGRQHSA-N 2 2 193.294 1.351 10 0 ADAELP CCc1ccc([C@@H]([NH3+])C[NH2+]C)cc1 259130239 573609329 /nfs/dbraw/zinc/60/93/29/573609329.db2.gz CKJGZQUBVDWJBS-NSHDSACASA-N 2 2 178.279 1.468 10 0 ADAELP Cc1ccsc1[C@H]([NH3+])C1([NH3+])CC1 259127835 573609379 /nfs/dbraw/zinc/60/93/79/573609379.db2.gz ASAQKNRHVUATEO-QMMMGPOBSA-N 2 2 182.292 1.548 10 0 ADAELP [NH3+][C@@H](c1cccc(F)c1)[C@H]1CCC[NH2+]1 259127688 573610810 /nfs/dbraw/zinc/61/08/10/573610810.db2.gz CFOKDASATDUUSV-MNOVXSKESA-N 2 2 194.253 1.578 10 0 ADAELP CC(C)([NH3+])[C@@H]([NH3+])c1cccs1 259130031 573612311 /nfs/dbraw/zinc/61/23/11/573612311.db2.gz CIEIWRYLXFWIRA-ZETCQYMHSA-N 2 2 170.281 1.485 10 0 ADAELP [NH3+][C@H](c1cccc(F)c1)[C@H]1CCC[NH2+]1 259127685 573611972 /nfs/dbraw/zinc/61/19/72/573611972.db2.gz CFOKDASATDUUSV-GHMZBOCLSA-N 2 2 194.253 1.578 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1coc2ccccc12 259527369 573612898 /nfs/dbraw/zinc/61/28/98/573612898.db2.gz WDWNNYADKWZWBS-JTQLQIEISA-N 2 2 190.246 1.652 10 0 ADAELP Cc1ccsc1[C@@H]([NH3+])C1([NH3+])CC1 259127832 573612826 /nfs/dbraw/zinc/61/28/26/573612826.db2.gz ASAQKNRHVUATEO-MRVPVSSYSA-N 2 2 182.292 1.548 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1CCC(F)CC1 259528382 573613858 /nfs/dbraw/zinc/61/38/58/573613858.db2.gz AYSNMHOEQBKFLC-MRVPVSSYSA-N 2 2 174.263 1.028 10 0 ADAELP CCCCc1[nH]c(C[NH3+])c[nH+]1 78676111 573615030 /nfs/dbraw/zinc/61/50/30/573615030.db2.gz ILZLIFPLTBJHNT-UHFFFAOYSA-N 2 2 153.229 1.211 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 393542620 573615506 /nfs/dbraw/zinc/61/55/06/573615506.db2.gz FOTGTGPBLKERNS-IVZWLZJFSA-N 2 2 188.290 1.417 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 393542620 573615508 /nfs/dbraw/zinc/61/55/08/573615508.db2.gz FOTGTGPBLKERNS-IVZWLZJFSA-N 2 2 188.290 1.417 10 0 ADAELP CC[NH2+]C[C@H]([NH2+]C)c1ccc(C)cc1 259529761 573619724 /nfs/dbraw/zinc/61/97/24/573619724.db2.gz UOXVDIAYQZYWTM-LBPRGKRZSA-N 2 2 192.306 1.865 10 0 ADAELP C[NH2+]C[N@H+](C)CC1CCCC1 258823320 573617799 /nfs/dbraw/zinc/61/77/99/573617799.db2.gz GNFQVCRKHNHFRM-UHFFFAOYSA-N 2 2 156.273 1.285 10 0 ADAELP CC[C@@H]1[NH2+]C[C@H]2CCC[N@@H+]2[C@H]1C 107457224 573617805 /nfs/dbraw/zinc/61/78/05/573617805.db2.gz LNUNDOOCHXPQJR-AEJSXWLSSA-N 2 2 168.284 1.221 10 0 ADAELP C[NH2+]C[N@@H+](C)CC1CCCC1 258823320 573617807 /nfs/dbraw/zinc/61/78/07/573617807.db2.gz GNFQVCRKHNHFRM-UHFFFAOYSA-N 2 2 156.273 1.285 10 0 ADAELP CC[C@@H]1[NH2+]C[C@H]2CCC[N@H+]2[C@H]1C 107457224 573617810 /nfs/dbraw/zinc/61/78/10/573617810.db2.gz LNUNDOOCHXPQJR-AEJSXWLSSA-N 2 2 168.284 1.221 10 0 ADAELP CCCOCC[N@H+](CCC)CC[NH3+] 233231284 573618391 /nfs/dbraw/zinc/61/83/91/573618391.db2.gz FGJYEYYNCVDIMW-UHFFFAOYSA-N 2 2 188.315 1.084 10 0 ADAELP CCCOCC[N@@H+](CCC)CC[NH3+] 233231284 573618394 /nfs/dbraw/zinc/61/83/94/573618394.db2.gz FGJYEYYNCVDIMW-UHFFFAOYSA-N 2 2 188.315 1.084 10 0 ADAELP CC[C@@H]1[NH2+]C[C@H]2CCC[N@@H+]2[C@@H]1C 107457229 573618856 /nfs/dbraw/zinc/61/88/56/573618856.db2.gz LNUNDOOCHXPQJR-BBBLOLIVSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@@H]1[NH2+]C[C@H]2CCC[N@H+]2[C@@H]1C 107457229 573618859 /nfs/dbraw/zinc/61/88/59/573618859.db2.gz LNUNDOOCHXPQJR-BBBLOLIVSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C1CC1 238450493 573619505 /nfs/dbraw/zinc/61/95/05/573619505.db2.gz JDBDYGORMHCBCC-CKYFFXLPSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C1CC1 238450493 573619513 /nfs/dbraw/zinc/61/95/13/573619513.db2.gz JDBDYGORMHCBCC-CKYFFXLPSA-N 2 2 194.322 1.611 10 0 ADAELP CC[N@H+](CCF)C[C@@H]1CC[NH+](C)C1 308408123 573620310 /nfs/dbraw/zinc/62/03/10/573620310.db2.gz KROUTMOVWVRYPQ-SNVBAGLBSA-N 2 2 188.290 1.230 10 0 ADAELP CC[N@@H+](CCF)C[C@@H]1CC[NH+](C)C1 308408123 573620317 /nfs/dbraw/zinc/62/03/17/573620317.db2.gz KROUTMOVWVRYPQ-SNVBAGLBSA-N 2 2 188.290 1.230 10 0 ADAELP CC[NH+](CCF)C[C@@H]1CC[N@H+](C)C1 308408123 573620324 /nfs/dbraw/zinc/62/03/24/573620324.db2.gz KROUTMOVWVRYPQ-SNVBAGLBSA-N 2 2 188.290 1.230 10 0 ADAELP CC[NH+](CCF)C[C@@H]1CC[N@@H+](C)C1 308408123 573620330 /nfs/dbraw/zinc/62/03/30/573620330.db2.gz KROUTMOVWVRYPQ-SNVBAGLBSA-N 2 2 188.290 1.230 10 0 ADAELP C[C@@H](CCC[NH3+])[NH2+]c1ccc(O)cc1 308644222 573620341 /nfs/dbraw/zinc/62/03/41/573620341.db2.gz GDAMDJMOAQYBQD-VIFPVBQESA-N 2 2 194.278 1.932 10 0 ADAELP CCC(CC)C[N@@H+]1CC[NH2+]C[C@H](C)C1 130517162 573620342 /nfs/dbraw/zinc/62/03/42/573620342.db2.gz SMLJGFYXFFPHFW-NSHDSACASA-N 2 2 198.354 1.964 10 0 ADAELP CCC(CC)C[N@H+]1CC[NH2+]C[C@H](C)C1 130517162 573620347 /nfs/dbraw/zinc/62/03/47/573620347.db2.gz SMLJGFYXFFPHFW-NSHDSACASA-N 2 2 198.354 1.964 10 0 ADAELP CC[C@H]([NH3+])c1[nH]c(C)[nH+]c1C 74343030 573620378 /nfs/dbraw/zinc/62/03/78/573620378.db2.gz UCBDLZDQSCJXSZ-ZETCQYMHSA-N 2 2 153.229 1.436 10 0 ADAELP [NH3+][C@@H](c1ccccc1F)C1([NH3+])CC1 259530941 573620518 /nfs/dbraw/zinc/62/05/18/573620518.db2.gz SUSCQWLECDCHQO-VIFPVBQESA-N 2 2 180.226 1.317 10 0 ADAELP C[NH2+][C@H](c1ccc(C)c(C)c1)[C@H](C)[NH3+] 259530823 573620601 /nfs/dbraw/zinc/62/06/01/573620601.db2.gz STYACUSSGXYOJR-JQWIXIFHSA-N 2 2 192.306 1.911 10 0 ADAELP FC1(C[NH2+]Cc2c[nH+]c[nH]2)CCC1 308407572 573620726 /nfs/dbraw/zinc/62/07/26/573620726.db2.gz MSGXPAKQEQEHIR-UHFFFAOYSA-N 2 2 183.230 1.392 10 0 ADAELP C[NH2+]CC1(c2[nH]c(C)c(C)[nH+]2)CCC1 258823710 573621408 /nfs/dbraw/zinc/62/14/08/573621408.db2.gz YYUCNKCZQPBEBV-UHFFFAOYSA-N 2 2 193.294 1.668 10 0 ADAELP Cc1cccc2[nH+]c3n(c12)C[C@H]([NH3+])C3 259530303 573621412 /nfs/dbraw/zinc/62/14/12/573621412.db2.gz BBFCWOJCEGBRNK-MRVPVSSYSA-N 2 2 187.246 1.228 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H](C)[NH3+] 259530833 573623083 /nfs/dbraw/zinc/62/30/83/573623083.db2.gz STYACUSSGXYOJR-ZYHUDNBSSA-N 2 2 192.306 1.911 10 0 ADAELP Cc1c(C[NH3+])ccc2[nH+]c[nH]c12 238453816 573626999 /nfs/dbraw/zinc/62/69/99/573626999.db2.gz XCFUMVOFEGFABH-UHFFFAOYSA-N 2 2 161.208 1.330 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 126679679 573625991 /nfs/dbraw/zinc/62/59/91/573625991.db2.gz OPDGJPRUPQTPSA-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 126679679 573625997 /nfs/dbraw/zinc/62/59/97/573625997.db2.gz OPDGJPRUPQTPSA-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP [NH3+][C@@H](c1ccccn1)[C@H]1CCC[NH2+]C1 259133321 573626525 /nfs/dbraw/zinc/62/65/25/573626525.db2.gz CNUXQVIYTJXWFE-GXSJLCMTSA-N 2 2 191.278 1.081 10 0 ADAELP C[C@]([NH3+])(C[NH3+])c1ccc(F)c(F)c1 259133352 573626574 /nfs/dbraw/zinc/62/65/74/573626574.db2.gz SQPWHMPGANPZTE-VIFPVBQESA-N 2 2 186.205 1.097 10 0 ADAELP CCc1cc(NCC(C)(C)[NH3+])nc[nH+]1 96523323 573626644 /nfs/dbraw/zinc/62/66/44/573626644.db2.gz SHYSVYNEXFPAHL-UHFFFAOYSA-N 2 2 194.282 1.188 10 0 ADAELP C[C@H]1CCC[C@@H]2CC[NH2+]C[N@H+]12 238453373 573626880 /nfs/dbraw/zinc/62/68/80/573626880.db2.gz TWRREPHLPIKLKU-DTWKUNHWSA-N 2 2 154.257 1.180 10 0 ADAELP C[C@H]1CCC[C@@H]2CC[NH2+]C[N@@H+]12 238453373 573626885 /nfs/dbraw/zinc/62/68/85/573626885.db2.gz TWRREPHLPIKLKU-DTWKUNHWSA-N 2 2 154.257 1.180 10 0 ADAELP [NH3+][C@H](c1ccccn1)[C@H]1CCC[NH2+]C1 259133335 573629617 /nfs/dbraw/zinc/62/96/17/573629617.db2.gz CNUXQVIYTJXWFE-ONGXEEELSA-N 2 2 191.278 1.081 10 0 ADAELP C[C@H](C[NH3+])CC[N@@H+]1CCC(F)(F)C1 259537993 573632985 /nfs/dbraw/zinc/63/29/85/573632985.db2.gz QUSNOQFJLAXXSN-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP C[C@H](C[NH3+])CC[N@H+]1CCC(F)(F)C1 259537993 573632989 /nfs/dbraw/zinc/63/29/89/573632989.db2.gz QUSNOQFJLAXXSN-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CCC1)c1ccncc1 258073019 573633224 /nfs/dbraw/zinc/63/32/24/573633224.db2.gz CMHNTWWYKGMIDQ-NSHDSACASA-N 2 2 191.278 1.224 10 0 ADAELP CC[C@](C)([NH3+])C[NH+]1CCCCCC1 86808772 573633783 /nfs/dbraw/zinc/63/37/83/573633783.db2.gz GIHJYSIOGUQDEQ-NSHDSACASA-N 2 2 184.327 1.990 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+]1CCCC[C@@H]1C 86808739 573633898 /nfs/dbraw/zinc/63/38/98/573633898.db2.gz CXPSRUHPOPTTJW-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+]1CCCC[C@@H]1C 86808739 573633900 /nfs/dbraw/zinc/63/39/00/573633900.db2.gz CXPSRUHPOPTTJW-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@H]1CC[C@@H](c2[nH]c(C[NH3+])c[nH+]2)C1 83790673 573633943 /nfs/dbraw/zinc/63/39/43/573633943.db2.gz JACVJHBRSAKPJH-JGVFFNPUSA-N 2 2 179.267 1.772 10 0 ADAELP Cc1[nH+]cccc1N[C@H](C)CCC[NH3+] 308650799 573633961 /nfs/dbraw/zinc/63/39/61/573633961.db2.gz JZPYHTLPIJRFCW-SECBINFHSA-N 2 2 193.294 1.929 10 0 ADAELP C[C@@H](C[NH3+])CC[N@@H+]1CCC(F)(F)C1 259537989 573633978 /nfs/dbraw/zinc/63/39/78/573633978.db2.gz QUSNOQFJLAXXSN-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP C[C@@H](C[NH3+])CC[N@H+]1CCC(F)(F)C1 259537989 573633984 /nfs/dbraw/zinc/63/39/84/573633984.db2.gz QUSNOQFJLAXXSN-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP C[C@@H]1CCCn2c1c[nH+]c2C1C[NH2+]C1 257835071 573633989 /nfs/dbraw/zinc/63/39/89/573633989.db2.gz KOESZUIWMFBKKM-MRVPVSSYSA-N 2 2 191.278 1.467 10 0 ADAELP Cc1[nH+]c(C2CCC2)[nH]c1C[NH3+] 259538346 573634050 /nfs/dbraw/zinc/63/40/50/573634050.db2.gz BOEBSNIYQGTCKS-UHFFFAOYSA-N 2 2 165.240 1.444 10 0 ADAELP CC[NH2+][C@H]1CCC[C@H]1[NH+]1CC2(CC2)C1 716038245 573634111 /nfs/dbraw/zinc/63/41/11/573634111.db2.gz HELBDWXILAZIKO-WDEREUQCSA-N 2 2 194.322 1.613 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CCC1)c1ccncc1 258073015 573635579 /nfs/dbraw/zinc/63/55/79/573635579.db2.gz CMHNTWWYKGMIDQ-LLVKDONJSA-N 2 2 191.278 1.224 10 0 ADAELP CC(C)[NH2+]C[C@@H]([NH3+])c1ccc[nH]1 259534518 573635770 /nfs/dbraw/zinc/63/57/70/573635770.db2.gz WOLAWDVEBBNADM-MRVPVSSYSA-N 2 2 167.256 1.013 10 0 ADAELP C[NH2+]CCc1cn(C(C)(C)C)c[nH+]1 107343234 573636702 /nfs/dbraw/zinc/63/67/02/573636702.db2.gz NQDPMGITAYPFFH-UHFFFAOYSA-N 2 2 181.283 1.400 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccc(C)cc1C 259147247 573636828 /nfs/dbraw/zinc/63/68/28/573636828.db2.gz DAPSYPANMUIPKF-GFCCVEGCSA-N 2 2 192.306 1.913 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C 308651474 573637084 /nfs/dbraw/zinc/63/70/84/573637084.db2.gz KSKZQNIZPBCGRX-YUSALJHKSA-N 2 2 196.338 1.715 10 0 ADAELP CCCc1[nH+]c([C@@H]2CC[NH2+]C2)[nH]c1C 258504767 573637090 /nfs/dbraw/zinc/63/70/90/573637090.db2.gz FKLWMMMKNMYQBB-SECBINFHSA-N 2 2 193.294 1.748 10 0 ADAELP CCCc1[nH]c([C@@H]2CC[NH2+]C2)[nH+]c1C 258504767 573637095 /nfs/dbraw/zinc/63/70/95/573637095.db2.gz FKLWMMMKNMYQBB-SECBINFHSA-N 2 2 193.294 1.748 10 0 ADAELP CC(C)[NH2+]C[C@H]([NH3+])c1ccc[nH]1 259534521 573637103 /nfs/dbraw/zinc/63/71/03/573637103.db2.gz WOLAWDVEBBNADM-QMMMGPOBSA-N 2 2 167.256 1.013 10 0 ADAELP CC[C@H](C[NH2+]C)[C@H]([NH3+])c1ccc(C)o1 259537324 573639527 /nfs/dbraw/zinc/63/95/27/573639527.db2.gz TYEKVIOLTDKLGO-KOLCDFICSA-N 2 2 196.294 1.833 10 0 ADAELP CCCc1c[nH+]c(C2CC([NH3+])C2)[nH]1 259147319 573639863 /nfs/dbraw/zinc/63/98/63/573639863.db2.gz SGVPCDPSRDSACA-UHFFFAOYSA-N 2 2 179.267 1.567 10 0 ADAELP CC[C@@H](C[NH2+]C)[C@@H]([NH3+])c1ccc(C)o1 259537323 573640915 /nfs/dbraw/zinc/64/09/15/573640915.db2.gz TYEKVIOLTDKLGO-GXSJLCMTSA-N 2 2 196.294 1.833 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)C 308651471 573641214 /nfs/dbraw/zinc/64/12/14/573641214.db2.gz KSKZQNIZPBCGRX-ADEWGFFLSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+]C(C)(C)CN[C@H](C)c1[nH]cc[nH+]1 308652266 573641427 /nfs/dbraw/zinc/64/14/27/573641427.db2.gz KYJNXZGXSNUYLP-MRVPVSSYSA-N 2 2 196.298 1.058 10 0 ADAELP CC(C)Cc1c[nH+]c(CC2C[NH2+]C2)[nH]1 257844922 573641429 /nfs/dbraw/zinc/64/14/29/573641429.db2.gz NIDPHQYFZHEUNI-UHFFFAOYSA-N 2 2 193.294 1.370 10 0 ADAELP Cc1cccc(C(C)(C)C[NH2+]C[NH3+])c1 258827348 573641555 /nfs/dbraw/zinc/64/15/55/573641555.db2.gz GUNXHBFSHYZXMX-UHFFFAOYSA-N 2 2 192.306 1.778 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)C 308651472 573641706 /nfs/dbraw/zinc/64/17/06/573641706.db2.gz KSKZQNIZPBCGRX-JLLWLGSASA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+]C(C)(C)CN[C@@H](C)c1[nH]cc[nH+]1 308652267 573641892 /nfs/dbraw/zinc/64/18/92/573641892.db2.gz KYJNXZGXSNUYLP-QMMMGPOBSA-N 2 2 196.298 1.058 10 0 ADAELP CC1(C)CCC[C@H](n2cc[nH+]c2)[C@H]1[NH3+] 86843258 573642502 /nfs/dbraw/zinc/64/25/02/573642502.db2.gz SVYVEGZBOZNHTD-VHSXEESVSA-N 2 2 193.294 1.962 10 0 ADAELP C[NH2+]C[NH2+]CC(C)(C)C(C)(C)C 258827259 573642566 /nfs/dbraw/zinc/64/25/66/573642566.db2.gz GSWIOJWAULUHCR-UHFFFAOYSA-N 2 2 172.316 1.825 10 0 ADAELP [NH3+][C@H]1C[C@@]12CC[NH2+]c1ccc(O)cc12 257839204 573643824 /nfs/dbraw/zinc/64/38/24/573643824.db2.gz LNUWUMKBLYANJW-WDEREUQCSA-N 2 2 190.246 1.177 10 0 ADAELP [NH3+][C@@H]1C[C@]12CC[NH2+]c1ccc(O)cc12 257839194 573643979 /nfs/dbraw/zinc/64/39/79/573643979.db2.gz LNUWUMKBLYANJW-MNOVXSKESA-N 2 2 190.246 1.177 10 0 ADAELP CC(C)c1c[nH+]c(C2CC([NH3+])C2)[nH]1 259149944 573644104 /nfs/dbraw/zinc/64/41/04/573644104.db2.gz SOISQRPIBOSQCO-UHFFFAOYSA-N 2 2 179.267 1.738 10 0 ADAELP [NH3+][C@H]1C[C@]12CC[NH2+]c1ccc(O)cc12 257839199 573644131 /nfs/dbraw/zinc/64/41/31/573644131.db2.gz LNUWUMKBLYANJW-QWRGUYRKSA-N 2 2 190.246 1.177 10 0 ADAELP COC[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 308653867 573644151 /nfs/dbraw/zinc/64/41/51/573644151.db2.gz MEXNIVRMHCLHSH-IUCAKERBSA-N 2 2 197.282 1.170 10 0 ADAELP C[C@@H]1CCn2c(c[nH+]c2C2C[NH2+]C2)C1 257838655 573644505 /nfs/dbraw/zinc/64/45/05/573644505.db2.gz LKOLMXCKIXXUHQ-MRVPVSSYSA-N 2 2 191.278 1.152 10 0 ADAELP CC1(C)CCC[C@H](n2cc[nH+]c2)[C@@H]1[NH3+] 86843254 573644600 /nfs/dbraw/zinc/64/46/00/573644600.db2.gz SVYVEGZBOZNHTD-UWVGGRQHSA-N 2 2 193.294 1.962 10 0 ADAELP Cc1occc1C[N@@H+]1CCC[NH2+]CC1 238463301 573644637 /nfs/dbraw/zinc/64/46/37/573644637.db2.gz PYEZNNAHAKTZCR-UHFFFAOYSA-N 2 2 194.278 1.383 10 0 ADAELP Cc1occc1C[N@H+]1CCC[NH2+]CC1 238463301 573644640 /nfs/dbraw/zinc/64/46/40/573644640.db2.gz PYEZNNAHAKTZCR-UHFFFAOYSA-N 2 2 194.278 1.383 10 0 ADAELP [NH3+][C@@H]1C[C@@]12CC[NH2+]c1ccc(O)cc12 257839189 573644666 /nfs/dbraw/zinc/64/46/66/573644666.db2.gz LNUWUMKBLYANJW-GHMZBOCLSA-N 2 2 190.246 1.177 10 0 ADAELP COC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 308653868 573644916 /nfs/dbraw/zinc/64/49/16/573644916.db2.gz MEXNIVRMHCLHSH-RKDXNWHRSA-N 2 2 197.282 1.170 10 0 ADAELP C[C@@H]([NH3+])c1nc([C@@H]2CCC[N@@H+]2C)co1 257839572 573645133 /nfs/dbraw/zinc/64/51/33/573645133.db2.gz BIAOKIHZGGDUKD-APPZFPTMSA-N 2 2 195.266 1.461 10 0 ADAELP C[C@@H]([NH3+])c1nc([C@@H]2CCC[N@H+]2C)co1 257839572 573645143 /nfs/dbraw/zinc/64/51/43/573645143.db2.gz BIAOKIHZGGDUKD-APPZFPTMSA-N 2 2 195.266 1.461 10 0 ADAELP CCc1ccc(CC[NH2+]C[NH3+])cc1 258833991 573645234 /nfs/dbraw/zinc/64/52/34/573645234.db2.gz HHKOLFKUHOKTHB-UHFFFAOYSA-N 2 2 178.279 1.297 10 0 ADAELP COC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 308653865 573645505 /nfs/dbraw/zinc/64/55/05/573645505.db2.gz MEXNIVRMHCLHSH-BDAKNGLRSA-N 2 2 197.282 1.170 10 0 ADAELP C[C@@H]([NH3+])c1ccc(-n2cc[nH+]c2)nc1 124794537 573645817 /nfs/dbraw/zinc/64/58/17/573645817.db2.gz VACAWVKAEKEYIG-MRVPVSSYSA-N 2 2 188.234 1.287 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1CCC1 308654440 573645871 /nfs/dbraw/zinc/64/58/71/573645871.db2.gz NDRZMSYUBYKYDN-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1CCC1 308654440 573645878 /nfs/dbraw/zinc/64/58/78/573645878.db2.gz NDRZMSYUBYKYDN-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]([NH3+])c1nc([C@@H]2CCC[N@@H+]2C)co1 257839573 573645991 /nfs/dbraw/zinc/64/59/91/573645991.db2.gz BIAOKIHZGGDUKD-CBAPKCEASA-N 2 2 195.266 1.461 10 0 ADAELP C[C@H]([NH3+])c1nc([C@@H]2CCC[N@H+]2C)co1 257839573 573645998 /nfs/dbraw/zinc/64/59/98/573645998.db2.gz BIAOKIHZGGDUKD-CBAPKCEASA-N 2 2 195.266 1.461 10 0 ADAELP C[C@@H]([NH3+])c1nc([C@H]2CCC[N@@H+]2C)co1 257839575 573646107 /nfs/dbraw/zinc/64/61/07/573646107.db2.gz BIAOKIHZGGDUKD-VXNVDRBHSA-N 2 2 195.266 1.461 10 0 ADAELP C[C@@H]([NH3+])c1nc([C@H]2CCC[N@H+]2C)co1 257839575 573646114 /nfs/dbraw/zinc/64/61/14/573646114.db2.gz BIAOKIHZGGDUKD-VXNVDRBHSA-N 2 2 195.266 1.461 10 0 ADAELP C[C@]([NH3+])(C[NH3+])c1coc2ccccc12 259152619 573646291 /nfs/dbraw/zinc/64/62/91/573646291.db2.gz UVJOOQKHQHJGTF-NSHDSACASA-N 2 2 190.246 1.565 10 0 ADAELP C[C@H]1CCC[C@H]2CC[NH2+]C[N@H+]12 238463067 573646306 /nfs/dbraw/zinc/64/63/06/573646306.db2.gz TWRREPHLPIKLKU-IUCAKERBSA-N 2 2 154.257 1.180 10 0 ADAELP C[C@H]1CCC[C@H]2CC[NH2+]C[N@@H+]12 238463067 573646311 /nfs/dbraw/zinc/64/63/11/573646311.db2.gz TWRREPHLPIKLKU-IUCAKERBSA-N 2 2 154.257 1.180 10 0 ADAELP c1coc(CC[NH2+][C@@H]2CCC[NH2+]C2)c1 43325486 573646581 /nfs/dbraw/zinc/64/65/81/573646581.db2.gz FJKCOJUCHMRKKD-SNVBAGLBSA-N 2 2 194.278 1.164 10 0 ADAELP CC1(C)CCC[C@@H](n2cc[nH+]c2)[C@@H]1[NH3+] 86843255 573646584 /nfs/dbraw/zinc/64/65/84/573646584.db2.gz SVYVEGZBOZNHTD-ZJUUUORDSA-N 2 2 193.294 1.962 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1CCC1 308654442 573646597 /nfs/dbraw/zinc/64/65/97/573646597.db2.gz NDRZMSYUBYKYDN-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1CCC1 308654442 573646606 /nfs/dbraw/zinc/64/66/06/573646606.db2.gz NDRZMSYUBYKYDN-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@]([NH3+])(C[NH3+])c1coc2ccccc12 259152616 573646816 /nfs/dbraw/zinc/64/68/16/573646816.db2.gz UVJOOQKHQHJGTF-LLVKDONJSA-N 2 2 190.246 1.565 10 0 ADAELP Cc1ccc(C)c2c1CC[C@H]([NH3+])[C@H]2[NH3+] 238457924 573648555 /nfs/dbraw/zinc/64/85/55/573648555.db2.gz XIKGEMRUEHEUIN-CMPLNLGQSA-N 2 2 190.290 1.577 10 0 ADAELP c1coc(CC[NH2+][C@H]2CCC[NH2+]C2)c1 43325488 573647979 /nfs/dbraw/zinc/64/79/79/573647979.db2.gz FJKCOJUCHMRKKD-JTQLQIEISA-N 2 2 194.278 1.164 10 0 ADAELP CC(C)c1[nH]c(C[C@H]2CC[NH2+]C2)c[nH+]1 257840305 573648203 /nfs/dbraw/zinc/64/82/03/573648203.db2.gz LWTIQXFYACQHJQ-SECBINFHSA-N 2 2 193.294 1.685 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@@H]1CCC[C@H]1[NH3+] 238457724 573648309 /nfs/dbraw/zinc/64/83/09/573648309.db2.gz CYDVOVYBWUWPSW-WCBMZHEXSA-N 2 2 191.278 1.567 10 0 ADAELP CS[C@@H](C)CCn1c[nH+]cc1C[NH3+] 130693319 573649654 /nfs/dbraw/zinc/64/96/54/573649654.db2.gz DRYLLCOHHCPZPC-QMMMGPOBSA-N 2 2 199.323 1.483 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@@H]1CC[NH2+]C1 238457752 573649760 /nfs/dbraw/zinc/64/97/60/573649760.db2.gz LUIHHJQIEPZNPA-MRVPVSSYSA-N 2 2 177.251 1.049 10 0 ADAELP [NH3+]C[C@@H]1C2CC(C2)C[N@@H+]1C1CCCC1 257840329 573650140 /nfs/dbraw/zinc/65/01/40/573650140.db2.gz LXUVGYCRGNMRQP-RTYFJBAXSA-N 2 2 194.322 1.598 10 0 ADAELP [NH3+]C[C@@H]1C2CC(C2)C[N@H+]1C1CCCC1 257840329 573650143 /nfs/dbraw/zinc/65/01/43/573650143.db2.gz LXUVGYCRGNMRQP-RTYFJBAXSA-N 2 2 194.322 1.598 10 0 ADAELP Cc1ccc(C[N@@H+](C)[C@H](C)[C@H](C)[NH3+])o1 308655696 573650546 /nfs/dbraw/zinc/65/05/46/573650546.db2.gz NJPZRHNBVKPYAR-VHSXEESVSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccc(C[N@H+](C)[C@H](C)[C@H](C)[NH3+])o1 308655696 573650550 /nfs/dbraw/zinc/65/05/50/573650550.db2.gz NJPZRHNBVKPYAR-VHSXEESVSA-N 2 2 196.294 1.756 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CCC2CC2)C[N@@H+]1C 126732069 573650579 /nfs/dbraw/zinc/65/05/79/573650579.db2.gz JVUGLVPNJOCIFR-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CCC2CC2)C[N@H+]1C 126732069 573650585 /nfs/dbraw/zinc/65/05/85/573650585.db2.gz JVUGLVPNJOCIFR-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@@H]1CCC[C@@H]1[NH3+] 238457697 573650688 /nfs/dbraw/zinc/65/06/88/573650688.db2.gz CYDVOVYBWUWPSW-WPRPVWTQSA-N 2 2 191.278 1.567 10 0 ADAELP [NH3+]C[C@]1(c2cccs2)CCCC[NH2+]1 258842386 573650756 /nfs/dbraw/zinc/65/07/56/573650756.db2.gz VLICINMZSWNJHN-JTQLQIEISA-N 2 2 196.319 1.676 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)C[N@@H+]1C 126731921 573651033 /nfs/dbraw/zinc/65/10/33/573651033.db2.gz JVUGLVPNJOCIFR-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)C[N@H+]1C 126731921 573651038 /nfs/dbraw/zinc/65/10/38/573651038.db2.gz JVUGLVPNJOCIFR-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 259542015 573654704 /nfs/dbraw/zinc/65/47/04/573654704.db2.gz WSAQNAPBGOLTSI-SECBINFHSA-N 2 2 170.300 1.597 10 0 ADAELP Cc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)[NH3+])o1 308655695 573652328 /nfs/dbraw/zinc/65/23/28/573652328.db2.gz NJPZRHNBVKPYAR-UWVGGRQHSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccc(C[N@H+](C)[C@@H](C)[C@H](C)[NH3+])o1 308655695 573652332 /nfs/dbraw/zinc/65/23/32/573652332.db2.gz NJPZRHNBVKPYAR-UWVGGRQHSA-N 2 2 196.294 1.756 10 0 ADAELP CC(C)[N@@H+]1CCC[C@H]([NH3+])C1(C)C 259542016 573652414 /nfs/dbraw/zinc/65/24/14/573652414.db2.gz WSAQNAPBGOLTSI-VIFPVBQESA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@H+]1CCC[C@H]([NH3+])C1(C)C 259542016 573652420 /nfs/dbraw/zinc/65/24/20/573652420.db2.gz WSAQNAPBGOLTSI-VIFPVBQESA-N 2 2 170.300 1.597 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@H]1CC[NH2+]C1 238458335 573653646 /nfs/dbraw/zinc/65/36/46/573653646.db2.gz LUIHHJQIEPZNPA-QMMMGPOBSA-N 2 2 177.251 1.049 10 0 ADAELP [NH3+]C[C@@]1(c2cccs2)CCCC[NH2+]1 258842393 573653663 /nfs/dbraw/zinc/65/36/63/573653663.db2.gz VLICINMZSWNJHN-SNVBAGLBSA-N 2 2 196.319 1.676 10 0 ADAELP CC1(C)CC[C@@H](n2cc[nH+]c2)[C@@H]1[NH3+] 86856676 573653721 /nfs/dbraw/zinc/65/37/21/573653721.db2.gz IJFHLAOFEBWVTE-BDAKNGLRSA-N 2 2 179.267 1.572 10 0 ADAELP CC1(C)CC[C@H](n2cc[nH+]c2)[C@H]1[NH3+] 86856677 573653896 /nfs/dbraw/zinc/65/38/96/573653896.db2.gz IJFHLAOFEBWVTE-DTWKUNHWSA-N 2 2 179.267 1.572 10 0 ADAELP C[NH2+][C@H]1[C@H](n2cc[nH+]c2)CCC1(C)C 86856668 573654392 /nfs/dbraw/zinc/65/43/92/573654392.db2.gz DKGOXCCZIFXZCD-ZJUUUORDSA-N 2 2 193.294 1.832 10 0 ADAELP CC(C)[N@H+]1CCC[C@@H]([NH3+])C1(C)C 259542015 573654708 /nfs/dbraw/zinc/65/47/08/573654708.db2.gz WSAQNAPBGOLTSI-SECBINFHSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)c1cn2c([nH+]1)[C@@H](C)C[C@@H]([NH3+])C2 107827810 573659986 /nfs/dbraw/zinc/65/99/86/573659986.db2.gz SNHRBWRXOBNFGQ-DTWKUNHWSA-N 2 2 193.294 1.841 10 0 ADAELP c1[nH]c(CC2C[NH2+]C2)[nH+]c1C1CCC1 257843234 573660179 /nfs/dbraw/zinc/66/01/79/573660179.db2.gz MVTSOXYFHXHCFF-UHFFFAOYSA-N 2 2 191.278 1.439 10 0 ADAELP CC1(C)CCC[C@H]1[N@@H+]1CCC[NH2+]CC1 86866664 573660750 /nfs/dbraw/zinc/66/07/50/573660750.db2.gz YEFMHLNSBWDJKG-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CCC[C@H]1[N@H+]1CCC[NH2+]CC1 86866664 573660757 /nfs/dbraw/zinc/66/07/57/573660757.db2.gz YEFMHLNSBWDJKG-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[NH2+]CC(C)(C)c1ccc[nH]1 258853459 573660785 /nfs/dbraw/zinc/66/07/85/573660785.db2.gz DTPAWAQRBVFVEH-UHFFFAOYSA-N 2 2 181.283 1.059 10 0 ADAELP Cc1ccc(C(C)(C)C[NH2+]C[NH3+])cc1 258851677 573660909 /nfs/dbraw/zinc/66/09/09/573660909.db2.gz JBEOEQJFBWGJHJ-UHFFFAOYSA-N 2 2 192.306 1.778 10 0 ADAELP CC(C)(C[NH2+]C[NH3+])C1CCCC1 258853860 573660981 /nfs/dbraw/zinc/66/09/81/573660981.db2.gz JJCOWDUZCCJIHX-UHFFFAOYSA-N 2 2 170.300 1.709 10 0 ADAELP C[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1CC[NH3+] 238472764 573661320 /nfs/dbraw/zinc/66/13/20/573661320.db2.gz DQCXFLZDSMKGED-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1CC[NH3+] 238472764 573661327 /nfs/dbraw/zinc/66/13/27/573661327.db2.gz DQCXFLZDSMKGED-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@@H](c2ccccc2)[NH2+]CC[NH2+]1 238471685 573661493 /nfs/dbraw/zinc/66/14/93/573661493.db2.gz JMGBKHXHMLUXEJ-PWSUYJOCSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1C(C)(C)C[NH2+]C[NH3+] 258850102 573661745 /nfs/dbraw/zinc/66/17/45/573661745.db2.gz IWHZRQYBIVEHOO-UHFFFAOYSA-N 2 2 192.306 1.778 10 0 ADAELP C[N@@H+]1CCC[C@@H]1c1csc(C[NH3+])n1 257843681 573661817 /nfs/dbraw/zinc/66/18/17/573661817.db2.gz CMFUGPMPILQVAO-MRVPVSSYSA-N 2 2 197.307 1.369 10 0 ADAELP C[N@H+]1CCC[C@@H]1c1csc(C[NH3+])n1 257843681 573661822 /nfs/dbraw/zinc/66/18/22/573661822.db2.gz CMFUGPMPILQVAO-MRVPVSSYSA-N 2 2 197.307 1.369 10 0 ADAELP C[NH2+]C[C@@H]1Cc2cc(C)ccc2C[NH2+]1 257842762 573662125 /nfs/dbraw/zinc/66/21/25/573662125.db2.gz MRHIRSJLGVLJFT-LBPRGKRZSA-N 2 2 190.290 1.229 10 0 ADAELP CC(C)c1cn2c([nH+]1)[C@@H](C)C[C@H]([NH3+])C2 107827804 573662220 /nfs/dbraw/zinc/66/22/20/573662220.db2.gz SNHRBWRXOBNFGQ-IUCAKERBSA-N 2 2 193.294 1.841 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]2CCCC[N@H+]12 238472569 573662288 /nfs/dbraw/zinc/66/22/88/573662288.db2.gz LLKLOQZRAGHPMT-IUCAKERBSA-N 2 2 154.257 1.180 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]2CCCC[N@@H+]12 238472569 573662293 /nfs/dbraw/zinc/66/22/93/573662293.db2.gz LLKLOQZRAGHPMT-IUCAKERBSA-N 2 2 154.257 1.180 10 0 ADAELP Cc1cc(CC[NH2+]C[NH3+])ccc1F 258853851 573662308 /nfs/dbraw/zinc/66/23/08/573662308.db2.gz JIWLUUBMVQNVGV-UHFFFAOYSA-N 2 2 182.242 1.182 10 0 ADAELP [NH3+][C@@H](c1ccncc1)[C@@H]1CCCC[NH2+]1 259545512 573662464 /nfs/dbraw/zinc/66/24/64/573662464.db2.gz XFLIGVQZXHJTPJ-QWRGUYRKSA-N 2 2 191.278 1.224 10 0 ADAELP [NH3+]CCCC[N@H+]1C=CSC1 144553249 573664506 /nfs/dbraw/zinc/66/45/06/573664506.db2.gz IWSDXETXHAMRIA-UHFFFAOYSA-N 2 2 158.270 1.203 10 0 ADAELP [NH3+]CCCC[N@@H+]1C=CSC1 144553249 573664510 /nfs/dbraw/zinc/66/45/10/573664510.db2.gz IWSDXETXHAMRIA-UHFFFAOYSA-N 2 2 158.270 1.203 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1ccc(Cl)cc1 259617821 573665911 /nfs/dbraw/zinc/66/59/11/573665911.db2.gz XTLKLEJBMWNKMH-SNVBAGLBSA-N 2 2 198.697 1.820 10 0 ADAELP CN(CCC(C)(C)[NH3+])c1cccc[nH+]1 258856953 573666969 /nfs/dbraw/zinc/66/69/69/573666969.db2.gz IKXRBAKDRANGLV-UHFFFAOYSA-N 2 2 193.294 1.645 10 0 ADAELP Cc1ccsc1C(C)(C)C[NH2+]C[NH3+] 258863114 573666819 /nfs/dbraw/zinc/66/68/19/573666819.db2.gz KCEVFGXAAVLMCF-UHFFFAOYSA-N 2 2 198.335 1.840 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1ccc(Cl)cc1 259617820 573666858 /nfs/dbraw/zinc/66/68/58/573666858.db2.gz XTLKLEJBMWNKMH-JTQLQIEISA-N 2 2 198.697 1.820 10 0 ADAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccncc1 43353315 573669995 /nfs/dbraw/zinc/66/99/95/573669995.db2.gz CEPXVUVBLFEMJC-NSHDSACASA-N 2 2 193.294 1.423 10 0 ADAELP [NH3+]CC[NH+]1CC2(CCCCC2)C1 83825001 573669327 /nfs/dbraw/zinc/66/93/27/573669327.db2.gz UDOUHFGMPVRZMO-UHFFFAOYSA-N 2 2 168.284 1.211 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[NH+](C)C 43353095 573669380 /nfs/dbraw/zinc/66/93/80/573669380.db2.gz QJZGTVFPLAPZJZ-GHMZBOCLSA-N 2 2 193.294 1.422 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1c[nH]c2ccccc12 258861878 573669433 /nfs/dbraw/zinc/66/94/33/573669433.db2.gz RFXNHCQVSJCXKF-LLVKDONJSA-N 2 2 189.262 1.387 10 0 ADAELP C[NH2+]CC(C)(C)[NH2+]Cc1cccs1 258862405 573669798 /nfs/dbraw/zinc/66/97/98/573669798.db2.gz OQJBNRNLPFWCCR-UHFFFAOYSA-N 2 2 198.335 1.836 10 0 ADAELP CCCn1c[nH+]cc1/C=C\[C@@H](C)[NH2+]C 308410916 573669903 /nfs/dbraw/zinc/66/99/03/573669903.db2.gz DOAZAXFLVUWPBG-WWQCOOJYSA-N 2 2 193.294 1.914 10 0 ADAELP C[NH2+]CNc1ccc2[nH]c(C)[nH+]c2c1 258863123 573669913 /nfs/dbraw/zinc/66/99/13/573669913.db2.gz KCXBIVFEARROEJ-UHFFFAOYSA-N 2 2 190.250 1.460 10 0 ADAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccncc1 43353315 573669990 /nfs/dbraw/zinc/66/99/90/573669990.db2.gz CEPXVUVBLFEMJC-NSHDSACASA-N 2 2 193.294 1.423 10 0 ADAELP C[C@@H](CC(F)F)[NH2+][C@H]1CCC[NH2+]C1 308411931 573670083 /nfs/dbraw/zinc/67/00/83/573670083.db2.gz OWIBFWFARGARID-YUMQZZPRSA-N 2 2 192.253 1.372 10 0 ADAELP C[NH+](C)C[C@]1(C2CC2)CCC[NH2+]1 258873573 573670637 /nfs/dbraw/zinc/67/06/37/573670637.db2.gz XGVNHQVZNFNCGE-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H](CC(F)F)[NH2+][C@H]1CCC[NH2+]C1 308411930 573670653 /nfs/dbraw/zinc/67/06/53/573670653.db2.gz OWIBFWFARGARID-SFYZADRCSA-N 2 2 192.253 1.372 10 0 ADAELP C[NH2+]C[NH2+]CCC1CCCC1 258868854 573670671 /nfs/dbraw/zinc/67/06/71/573670671.db2.gz KSDMEIPZARCFBO-UHFFFAOYSA-N 2 2 156.273 1.333 10 0 ADAELP C[NH2+]C[N@H+](C)CCCC(C)C 258870446 573671028 /nfs/dbraw/zinc/67/10/28/573671028.db2.gz KXFBJYXCHAOYFK-UHFFFAOYSA-N 2 2 158.289 1.531 10 0 ADAELP C[NH2+]C[N@@H+](C)CCCC(C)C 258870446 573671032 /nfs/dbraw/zinc/67/10/32/573671032.db2.gz KXFBJYXCHAOYFK-UHFFFAOYSA-N 2 2 158.289 1.531 10 0 ADAELP CC1=[NH+]C[C@H](C)[NH2+]C(C)(C)C1 238467145 573671632 /nfs/dbraw/zinc/67/16/32/573671632.db2.gz UVHCXZDIDPLMLG-QMMMGPOBSA-N 2 2 154.257 1.608 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 258870357 573671701 /nfs/dbraw/zinc/67/17/01/573671701.db2.gz CWRMFGPWYCYPFT-MNOVXSKESA-N 2 2 191.278 1.051 10 0 ADAELP CC[NH2+][C@H](C)C[N@H+](C)CCCF 716755690 573672015 /nfs/dbraw/zinc/67/20/15/573672015.db2.gz AOLJMKOZOHHPAX-SECBINFHSA-N 2 2 176.279 1.276 10 0 ADAELP CC[NH2+][C@H](C)C[N@@H+](C)CCCF 716755690 573672022 /nfs/dbraw/zinc/67/20/22/573672022.db2.gz AOLJMKOZOHHPAX-SECBINFHSA-N 2 2 176.279 1.276 10 0 ADAELP C[C@H](CC(F)F)[NH2+][C@@H]1CCC[NH2+]C1 308411928 573672553 /nfs/dbraw/zinc/67/25/53/573672553.db2.gz OWIBFWFARGARID-HTQZYQBOSA-N 2 2 192.253 1.372 10 0 ADAELP [NH3+]C[NH2+]CCc1ccc2c(c1)CCC2 258866448 573672654 /nfs/dbraw/zinc/67/26/54/573672654.db2.gz KPMONMQFTFFNSM-UHFFFAOYSA-N 2 2 190.290 1.224 10 0 ADAELP CC[NH2+][C@H](C)[C@@H](C)[N@H+](C)CCCF 716755974 573673034 /nfs/dbraw/zinc/67/30/34/573673034.db2.gz GGZAMHDQKZVIIN-NXEZZACHSA-N 2 2 190.306 1.664 10 0 ADAELP CC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)CCCF 716755974 573673040 /nfs/dbraw/zinc/67/30/40/573673040.db2.gz GGZAMHDQKZVIIN-NXEZZACHSA-N 2 2 190.306 1.664 10 0 ADAELP C[C@@H](CC(F)F)[NH2+][C@@H]1CCC[NH2+]C1 308411929 573673074 /nfs/dbraw/zinc/67/30/74/573673074.db2.gz OWIBFWFARGARID-JGVFFNPUSA-N 2 2 192.253 1.372 10 0 ADAELP CC[NH2+][C@H](C)[C@H](C)[N@H+](C)CCCF 716755986 573673229 /nfs/dbraw/zinc/67/32/29/573673229.db2.gz GGZAMHDQKZVIIN-ZJUUUORDSA-N 2 2 190.306 1.664 10 0 ADAELP CC[NH2+][C@H](C)[C@H](C)[N@@H+](C)CCCF 716755986 573673236 /nfs/dbraw/zinc/67/32/36/573673236.db2.gz GGZAMHDQKZVIIN-ZJUUUORDSA-N 2 2 190.306 1.664 10 0 ADAELP CCCn1c[nH+]cc1/C=C\[C@H](C)[NH2+]C 308410915 573673244 /nfs/dbraw/zinc/67/32/44/573673244.db2.gz DOAZAXFLVUWPBG-OMMCCPJFSA-N 2 2 193.294 1.914 10 0 ADAELP CC(C)[C@H]([NH3+])C1([NH+](C)C)CCCC1 83825375 573674070 /nfs/dbraw/zinc/67/40/70/573674070.db2.gz CHJOKWDTGMCRPW-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)c1c[nH]c(C2(C[NH3+])CCC2)[nH+]1 259155003 573674140 /nfs/dbraw/zinc/67/41/40/573674140.db2.gz TUFRABYTSPQMCR-UHFFFAOYSA-N 2 2 193.294 1.914 10 0 ADAELP Cc1ccsc1CC[N@H+](C)CC[NH3+] 258872093 573674361 /nfs/dbraw/zinc/67/43/61/573674361.db2.gz ZXLBFFNUCVFRJB-UHFFFAOYSA-N 2 2 198.335 1.490 10 0 ADAELP Cc1ccsc1CC[N@@H+](C)CC[NH3+] 258872093 573674363 /nfs/dbraw/zinc/67/43/63/573674363.db2.gz ZXLBFFNUCVFRJB-UHFFFAOYSA-N 2 2 198.335 1.490 10 0 ADAELP CC(C)[N@@H+]1CCCC[C@@H]1C(C)(C)[NH3+] 144666856 573674554 /nfs/dbraw/zinc/67/45/54/573674554.db2.gz XVRYIESRMWAPCR-SNVBAGLBSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[N@H+]1CCCC[C@@H]1C(C)(C)[NH3+] 144666856 573674562 /nfs/dbraw/zinc/67/45/62/573674562.db2.gz XVRYIESRMWAPCR-SNVBAGLBSA-N 2 2 184.327 1.987 10 0 ADAELP Cc1oc(C[NH3+])nc1[C@@H]1CCC[N@H+]1C 257846053 573674748 /nfs/dbraw/zinc/67/47/48/573674748.db2.gz CYIJWQVUXCXYCA-QMMMGPOBSA-N 2 2 195.266 1.208 10 0 ADAELP Cc1oc(C[NH3+])nc1[C@@H]1CCC[N@@H+]1C 257846053 573674752 /nfs/dbraw/zinc/67/47/52/573674752.db2.gz CYIJWQVUXCXYCA-QMMMGPOBSA-N 2 2 195.266 1.208 10 0 ADAELP CC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)CCCF 716755981 573674768 /nfs/dbraw/zinc/67/47/68/573674768.db2.gz GGZAMHDQKZVIIN-VHSXEESVSA-N 2 2 190.306 1.664 10 0 ADAELP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)CCCF 716755981 573674774 /nfs/dbraw/zinc/67/47/74/573674774.db2.gz GGZAMHDQKZVIIN-VHSXEESVSA-N 2 2 190.306 1.664 10 0 ADAELP CC(C)[C@@H]([NH3+])C1([NH+](C)C)CCCC1 83825377 573674806 /nfs/dbraw/zinc/67/48/06/573674806.db2.gz CHJOKWDTGMCRPW-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CCCc1c[nH]c([C@H](CC)C[NH3+])[nH+]1 259154878 573675047 /nfs/dbraw/zinc/67/50/47/573675047.db2.gz SYJQOZXPKPGOBE-MRVPVSSYSA-N 2 2 181.283 1.815 10 0 ADAELP C[NH+](C)C[C@@]1(C2CC2)CCC[NH2+]1 258873577 573675084 /nfs/dbraw/zinc/67/50/84/573675084.db2.gz XGVNHQVZNFNCGE-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP CC[NH2+][C@@H](C)C[N@H+](C)CCCF 716755693 573675106 /nfs/dbraw/zinc/67/51/06/573675106.db2.gz AOLJMKOZOHHPAX-VIFPVBQESA-N 2 2 176.279 1.276 10 0 ADAELP CC[NH2+][C@@H](C)C[N@@H+](C)CCCF 716755693 573675112 /nfs/dbraw/zinc/67/51/12/573675112.db2.gz AOLJMKOZOHHPAX-VIFPVBQESA-N 2 2 176.279 1.276 10 0 ADAELP [NH3+]C[C@]1(c2ccco2)CCCC[NH2+]1 258873493 573676443 /nfs/dbraw/zinc/67/64/43/573676443.db2.gz XGHKJGLWAFIAML-JTQLQIEISA-N 2 2 180.251 1.207 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccn1 258870375 573676527 /nfs/dbraw/zinc/67/65/27/573676527.db2.gz CWRMFGPWYCYPFT-QWRGUYRKSA-N 2 2 191.278 1.051 10 0 ADAELP C[C@@H]1C[C@H]2C3CC[NH+](CC3)[C@@H]2C[NH2+]1 107981043 573676645 /nfs/dbraw/zinc/67/66/45/573676645.db2.gz HAPXXBYBKYURID-DVVUODLYSA-N 2 2 180.295 1.079 10 0 ADAELP [NH3+]C1(C[NH+]2Cc3ccccc3C2)CC1 83837332 573676666 /nfs/dbraw/zinc/67/66/66/573676666.db2.gz URHJHVXNOWRZAC-UHFFFAOYSA-N 2 2 188.274 1.494 10 0 ADAELP [NH3+]C[C@@]1(c2ccco2)CCCC[NH2+]1 258873498 573676672 /nfs/dbraw/zinc/67/66/72/573676672.db2.gz XGHKJGLWAFIAML-SNVBAGLBSA-N 2 2 180.251 1.207 10 0 ADAELP CC[NH2+]C[C@H]([NH2+]C)c1ccccc1C 259156846 573676859 /nfs/dbraw/zinc/67/68/59/573676859.db2.gz CSOWTUBVOXGTLD-LBPRGKRZSA-N 2 2 192.306 1.865 10 0 ADAELP [NH3+]C1(C[NH2+]Cc2ccoc2)CCC1 130806191 573677654 /nfs/dbraw/zinc/67/76/54/573677654.db2.gz GKIQMVDKZSRLEA-UHFFFAOYSA-N 2 2 180.251 1.251 10 0 ADAELP Cc1oc(C[NH3+])nc1[C@H]1CCC[N@H+]1C 257846051 573677818 /nfs/dbraw/zinc/67/78/18/573677818.db2.gz CYIJWQVUXCXYCA-MRVPVSSYSA-N 2 2 195.266 1.208 10 0 ADAELP Cc1oc(C[NH3+])nc1[C@H]1CCC[N@@H+]1C 257846051 573677826 /nfs/dbraw/zinc/67/78/26/573677826.db2.gz CYIJWQVUXCXYCA-MRVPVSSYSA-N 2 2 195.266 1.208 10 0 ADAELP [NH3+]C[C@@]1(c2cccnc2)CCCC[NH2+]1 258879117 573678106 /nfs/dbraw/zinc/67/81/06/573678106.db2.gz XOLSNGORGIXLGA-LLVKDONJSA-N 2 2 191.278 1.009 10 0 ADAELP C[C@@H](C1CCC1)[N@@H+]1CCC[C@H]([NH3+])C1 108005023 573680082 /nfs/dbraw/zinc/68/00/82/573680082.db2.gz LUTNVLXIRPMZFG-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H](C1CCC1)[N@H+]1CCC[C@H]([NH3+])C1 108005023 573680085 /nfs/dbraw/zinc/68/00/85/573680085.db2.gz LUTNVLXIRPMZFG-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP [NH3+]C1(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 83837602 573680214 /nfs/dbraw/zinc/68/02/14/573680214.db2.gz FTWVAHLALLQYBU-WDEREUQCSA-N 2 2 194.322 1.742 10 0 ADAELP [NH3+]C1(C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 83837602 573680219 /nfs/dbraw/zinc/68/02/19/573680219.db2.gz FTWVAHLALLQYBU-WDEREUQCSA-N 2 2 194.322 1.742 10 0 ADAELP Cc1ccc(C[NH3+])c2[nH]c[nH+]c12 238469833 573680419 /nfs/dbraw/zinc/68/04/19/573680419.db2.gz OHTWPHZYDXSIHL-UHFFFAOYSA-N 2 2 161.208 1.330 10 0 ADAELP [NH3+]C[C@]1(c2cccnc2)CCCC[NH2+]1 258879120 573680757 /nfs/dbraw/zinc/68/07/57/573680757.db2.gz XOLSNGORGIXLGA-NSHDSACASA-N 2 2 191.278 1.009 10 0 ADAELP C[C@@H](C1CCC1)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 108005034 573680768 /nfs/dbraw/zinc/68/07/68/573680768.db2.gz LMASIBQBVLMJNQ-JFGNBEQYSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H](C1CCC1)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 108005034 573680775 /nfs/dbraw/zinc/68/07/75/573680775.db2.gz LMASIBQBVLMJNQ-JFGNBEQYSA-N 2 2 196.338 1.844 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)C2CCC2)C1 108011454 573681020 /nfs/dbraw/zinc/68/10/20/573681020.db2.gz PZIQNFOMXXWDNH-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+]([C@H](C)C2CCC2)C1 108011454 573681023 /nfs/dbraw/zinc/68/10/23/573681023.db2.gz PZIQNFOMXXWDNH-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C1CCC1)[N@@H+]1CCC[C@H]([NH3+])C1 108005025 573684031 /nfs/dbraw/zinc/68/40/31/573684031.db2.gz LUTNVLXIRPMZFG-KOLCDFICSA-N 2 2 182.311 1.598 10 0 ADAELP CCC[C@@H](C[NH3+])c1[nH+]ccn1C 259170162 573685321 /nfs/dbraw/zinc/68/53/21/573685321.db2.gz OEOIPMFORALDEQ-QMMMGPOBSA-N 2 2 167.256 1.263 10 0 ADAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC1 308670208 573683253 /nfs/dbraw/zinc/68/32/53/573683253.db2.gz UWHCIKZRWQWSNT-SKDRFNHKSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1CC1 308670208 573683258 /nfs/dbraw/zinc/68/32/58/573683258.db2.gz UWHCIKZRWQWSNT-SKDRFNHKSA-N 2 2 194.322 1.469 10 0 ADAELP CC[C@@H](C1CCC1)[N@@H+]1CCC[C@H]([NH3+])C1 108004998 573683387 /nfs/dbraw/zinc/68/33/87/573683387.db2.gz HSOXXEHEFPKDDW-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H](C1CCC1)[N@H+]1CCC[C@H]([NH3+])C1 108004998 573683391 /nfs/dbraw/zinc/68/33/91/573683391.db2.gz HSOXXEHEFPKDDW-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1C[N@H+](CC2CCC2)[C@@H](C)CC[NH2+]1 83842259 573683528 /nfs/dbraw/zinc/68/35/28/573683528.db2.gz SINSWIYNAIFOIP-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@@H+](CC2CCC2)[C@@H](C)CC[NH2+]1 83842259 573683533 /nfs/dbraw/zinc/68/35/33/573683533.db2.gz SINSWIYNAIFOIP-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1CC1 308670205 573683628 /nfs/dbraw/zinc/68/36/28/573683628.db2.gz UWHCIKZRWQWSNT-CABZTGNLSA-N 2 2 194.322 1.469 10 0 ADAELP 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C[C@@H]1CC[NH2+]CC[N@@H+]1CC1CCC1 83842260 573684245 /nfs/dbraw/zinc/68/42/45/573684245.db2.gz FIULHRLGGAGHCO-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@H+]1CC1CCC1 83842260 573684247 /nfs/dbraw/zinc/68/42/47/573684247.db2.gz FIULHRLGGAGHCO-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C 393547982 573684274 /nfs/dbraw/zinc/68/42/74/573684274.db2.gz PFDDUQWMGIGNLT-GWOFURMSSA-N 2 2 184.327 1.571 10 0 ADAELP COc1ccc(NC/C=C\C[NH3+])[nH+]c1 308420506 573684500 /nfs/dbraw/zinc/68/45/00/573684500.db2.gz WCJPVHZFSGNIPP-IHWYPQMZSA-N 2 2 193.250 1.017 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc2c(c1)CCC2 259556441 573684601 /nfs/dbraw/zinc/68/46/01/573684601.db2.gz XUELWAZTXZEVMN-GFCCVEGCSA-N 2 2 190.290 1.395 10 0 ADAELP CCC[NH2+][C@H](C)/C=C\c1c[nH+]cn1C 308415828 573684702 /nfs/dbraw/zinc/68/47/02/573684702.db2.gz NGSJVQTURRVLHE-WWQCOOJYSA-N 2 2 193.294 1.821 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1sccc1C 259159878 573684751 /nfs/dbraw/zinc/68/47/51/573684751.db2.gz BXNPRICRLWEHNL-QMMMGPOBSA-N 2 2 184.308 1.536 10 0 ADAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1CC1 308670206 573684765 /nfs/dbraw/zinc/68/47/65/573684765.db2.gz UWHCIKZRWQWSNT-JOYOIKCWSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1CC1 308670206 573684771 /nfs/dbraw/zinc/68/47/71/573684771.db2.gz UWHCIKZRWQWSNT-JOYOIKCWSA-N 2 2 194.322 1.469 10 0 ADAELP CC(C)([NH3+])[C@@H]([NH3+])c1ccc(F)cc1 259157380 573684992 /nfs/dbraw/zinc/68/49/92/573684992.db2.gz DKJGNURBCBMDTR-VIFPVBQESA-N 2 2 182.242 1.563 10 0 ADAELP Cc1ccsc1[C@@H]([NH3+])[C@H]1CCC[NH2+]1 259157330 573685006 /nfs/dbraw/zinc/68/50/06/573685006.db2.gz DJRXSZRZHLYQMA-BDAKNGLRSA-N 2 2 196.319 1.808 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1CC[NH2+]C[C@H]1F 238478033 573685057 /nfs/dbraw/zinc/68/50/57/573685057.db2.gz IOKHKALJZRTOHZ-GXSJLCMTSA-N 2 2 194.253 1.805 10 0 ADAELP CCc1c[nH]c([C@H](CC)C[NH2+]C)[nH+]1 259159621 573685066 /nfs/dbraw/zinc/68/50/66/573685066.db2.gz UGXGOGQBSSDYBA-MRVPVSSYSA-N 2 2 181.283 1.685 10 0 ADAELP CCc1c[nH]c([C@@H](CC)C[NH2+]C)[nH+]1 259159625 573685124 /nfs/dbraw/zinc/68/51/24/573685124.db2.gz UGXGOGQBSSDYBA-QMMMGPOBSA-N 2 2 181.283 1.685 10 0 ADAELP CCC[NH2+][C@@H](C)/C=C\c1c[nH+]cn1C 308415827 573685274 /nfs/dbraw/zinc/68/52/74/573685274.db2.gz NGSJVQTURRVLHE-OMMCCPJFSA-N 2 2 193.294 1.821 10 0 ADAELP C[C@@H]1C[N@@H+](CC2CCC2)[C@H](C)CC[NH2+]1 83842256 573687093 /nfs/dbraw/zinc/68/70/93/573687093.db2.gz SINSWIYNAIFOIP-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1[nH]c2ccc(C=CC[NH3+])cc2[nH+]1 308417349 573686873 /nfs/dbraw/zinc/68/68/73/573686873.db2.gz QCRRVKZPJNCYTF-IHWYPQMZSA-N 2 2 187.246 1.843 10 0 ADAELP Cc1[nH]c2cc(C=CC[NH3+])ccc2[nH+]1 308417349 573686878 /nfs/dbraw/zinc/68/68/78/573686878.db2.gz QCRRVKZPJNCYTF-IHWYPQMZSA-N 2 2 187.246 1.843 10 0 ADAELP C[C@@H]1C[N@H+](CC2CCC2)[C@H](C)CC[NH2+]1 83842256 573687086 /nfs/dbraw/zinc/68/70/86/573687086.db2.gz SINSWIYNAIFOIP-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+][C@H](C)C[NH+](C)C 393547981 573687141 /nfs/dbraw/zinc/68/71/41/573687141.db2.gz PFDDUQWMGIGNLT-CHWFTXMASA-N 2 2 184.327 1.571 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[NH3+])c2c1CCC2 238478947 573687279 /nfs/dbraw/zinc/68/72/79/573687279.db2.gz DXYROKDIGSVMGF-LBPRGKRZSA-N 2 2 190.290 1.442 10 0 ADAELP CC(C)(C)c1c[nH]c([C@H]2CC[NH2+]C2)[nH+]1 83871100 573688423 /nfs/dbraw/zinc/68/84/23/573688423.db2.gz FRPFWLCARWUZKS-QMMMGPOBSA-N 2 2 193.294 1.784 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)[C@@H]1C 393547983 573688425 /nfs/dbraw/zinc/68/84/25/573688425.db2.gz PFDDUQWMGIGNLT-LNFKQOIKSA-N 2 2 184.327 1.571 10 0 ADAELP Cc1ccc(CC[NH2+]C[NH3+])c(C)c1C 258880214 573688556 /nfs/dbraw/zinc/68/85/56/573688556.db2.gz LXSQXJVEUBQSQH-UHFFFAOYSA-N 2 2 192.306 1.660 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1sccc1C 259159876 573689549 /nfs/dbraw/zinc/68/95/49/573689549.db2.gz BXNPRICRLWEHNL-MRVPVSSYSA-N 2 2 184.308 1.536 10 0 ADAELP C/C=C\C[N@@H+]1CCC[C@H]1C[NH2+]C1CC1 308417542 573688896 /nfs/dbraw/zinc/68/88/96/573688896.db2.gz TXJVIIHPNCBXLU-DLGQBQFBSA-N 2 2 194.322 1.779 10 0 ADAELP C/C=C\C[N@H+]1CCC[C@H]1C[NH2+]C1CC1 308417542 573688901 /nfs/dbraw/zinc/68/89/01/573688901.db2.gz TXJVIIHPNCBXLU-DLGQBQFBSA-N 2 2 194.322 1.779 10 0 ADAELP Cc1ccsc1[C@H]([NH3+])[C@H]1CCC[NH2+]1 259157336 573689251 /nfs/dbraw/zinc/68/92/51/573689251.db2.gz DJRXSZRZHLYQMA-RKDXNWHRSA-N 2 2 196.319 1.808 10 0 ADAELP Cc1cc(C)c(C)c([C@@H]([NH3+])C[NH3+])c1C 259159138 573689319 /nfs/dbraw/zinc/68/93/19/573689319.db2.gz VIRFKHPHGTZOBG-NSHDSACASA-N 2 2 192.306 1.879 10 0 ADAELP Cc1cc(C)c(C)c([C@H]([NH3+])C[NH3+])c1C 259159135 573689724 /nfs/dbraw/zinc/68/97/24/573689724.db2.gz VIRFKHPHGTZOBG-LLVKDONJSA-N 2 2 192.306 1.879 10 0 ADAELP C[C@]([NH3+])(C[NH3+])c1c[nH]c2ccccc12 259170169 573689852 /nfs/dbraw/zinc/68/98/52/573689852.db2.gz WHBYNMPYZIOGMT-NSHDSACASA-N 2 2 189.262 1.301 10 0 ADAELP COc1cc[nH+]cc1[C@@H](F)CC[NH3+] 393550766 573690342 /nfs/dbraw/zinc/69/03/42/573690342.db2.gz RBJIUJZLXUDGJA-QMMMGPOBSA-N 2 2 184.214 1.450 10 0 ADAELP C[C@H]1C[C@@H](C)[NH2+][C@H]2[NH2+]CCC[C@@H]12 238478958 573690466 /nfs/dbraw/zinc/69/04/66/573690466.db2.gz WAZQHWZKOGWRDH-QCLAVDOMSA-N 2 2 168.284 1.330 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)CCC(F)(F)F 83878903 573691332 /nfs/dbraw/zinc/69/13/32/573691332.db2.gz QUSNYDWFYXCDKS-ZETCQYMHSA-N 2 2 198.232 1.608 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)CCC(F)(F)F 83878903 573691335 /nfs/dbraw/zinc/69/13/35/573691335.db2.gz QUSNYDWFYXCDKS-ZETCQYMHSA-N 2 2 198.232 1.608 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@@H]2CCC[NH2+]C2)o1 259160292 573691540 /nfs/dbraw/zinc/69/15/40/573691540.db2.gz DMSDSHTWSIOYQA-MWLCHTKSSA-N 2 2 194.278 1.587 10 0 ADAELP C[NH+](C)[C@H](c1cc[nH]c1)C1([NH3+])CC1 259161157 573692530 /nfs/dbraw/zinc/69/25/30/573692530.db2.gz LSHMLZBXVBRRJL-SECBINFHSA-N 2 2 179.267 1.109 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@H]2CCC[NH2+]C2)o1 259160286 573692646 /nfs/dbraw/zinc/69/26/46/573692646.db2.gz DMSDSHTWSIOYQA-GXSJLCMTSA-N 2 2 194.278 1.587 10 0 ADAELP Cc1[nH]c(C[N@H+](C)CC2CC2)c[nH+]1 308419095 573694387 /nfs/dbraw/zinc/69/43/87/573694387.db2.gz OBNTYVPBGHOXPR-UHFFFAOYSA-N 2 2 179.267 1.560 10 0 ADAELP Cc1[nH]c(C[N@@H+](C)CC2CC2)c[nH+]1 308419095 573694395 /nfs/dbraw/zinc/69/43/95/573694395.db2.gz OBNTYVPBGHOXPR-UHFFFAOYSA-N 2 2 179.267 1.560 10 0 ADAELP Cc1cc2c(cc1C)[C@@H]([NH3+])[C@@H]([NH3+])CC2 238480929 573696070 /nfs/dbraw/zinc/69/60/70/573696070.db2.gz CHSWHCZPZXPYSL-NWDGAFQWSA-N 2 2 190.290 1.577 10 0 ADAELP C[N@@H+]1CCC[C@@]1(C[NH3+])c1ccccc1 258884448 573695339 /nfs/dbraw/zinc/69/53/39/573695339.db2.gz XXTLPCRNWVFXFR-GFCCVEGCSA-N 2 2 190.290 1.566 10 0 ADAELP C[N@H+]1CCC[C@@]1(C[NH3+])c1ccccc1 258884448 573695342 /nfs/dbraw/zinc/69/53/42/573695342.db2.gz XXTLPCRNWVFXFR-GFCCVEGCSA-N 2 2 190.290 1.566 10 0 ADAELP CC1(C)C[N@H+](CCC2CC2)CCC[NH2+]1 83913026 573695496 /nfs/dbraw/zinc/69/54/96/573695496.db2.gz ZAPMYIQSUBFUBE-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)C[N@@H+](CCC2CC2)CCC[NH2+]1 83913026 573695501 /nfs/dbraw/zinc/69/55/01/573695501.db2.gz ZAPMYIQSUBFUBE-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[N@H+](CCC2CC2)CC[NH2+]1 83912306 573695898 /nfs/dbraw/zinc/69/58/98/573695898.db2.gz WMOVLYWAIUEAQW-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CC[N@@H+](CCC2CC2)CC[NH2+]1 83912306 573695903 /nfs/dbraw/zinc/69/59/03/573695903.db2.gz WMOVLYWAIUEAQW-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CNc1c[nH+]cc(NCC[NH+](C)C)c1 122064018 573696015 /nfs/dbraw/zinc/69/60/15/573696015.db2.gz RTBOIXMNCIILJW-UHFFFAOYSA-N 2 2 194.282 1.097 10 0 ADAELP C1C[C@H]2C[N@H+](C3CC3)CCC[NH+]2C1 86930654 573700719 /nfs/dbraw/zinc/70/07/19/573700719.db2.gz FPCGARNXLXGHCN-NSHDSACASA-N 2 2 180.295 1.319 10 0 ADAELP C1C[C@H]2C[N@@H+](C3CC3)CCC[NH+]2C1 86930654 573700728 /nfs/dbraw/zinc/70/07/28/573700728.db2.gz FPCGARNXLXGHCN-NSHDSACASA-N 2 2 180.295 1.319 10 0 ADAELP C1C[C@H]2C[NH+](C3CC3)CCC[N@@H+]2C1 86930654 573700736 /nfs/dbraw/zinc/70/07/36/573700736.db2.gz FPCGARNXLXGHCN-NSHDSACASA-N 2 2 180.295 1.319 10 0 ADAELP C1C[C@H]2C[NH+](C3CC3)CCC[N@H+]2C1 86930654 573700738 /nfs/dbraw/zinc/70/07/38/573700738.db2.gz FPCGARNXLXGHCN-NSHDSACASA-N 2 2 180.295 1.319 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](CCC2CC2)C1 83912273 573700747 /nfs/dbraw/zinc/70/07/47/573700747.db2.gz NGNGJGMZPVZNOK-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](CCC2CC2)C1 83912273 573700752 /nfs/dbraw/zinc/70/07/52/573700752.db2.gz NGNGJGMZPVZNOK-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP CC(C)(C)[C@H]([NH3+])C[NH2+]Cc1ccoc1 130757684 573700764 /nfs/dbraw/zinc/70/07/64/573700764.db2.gz QLBHCGHLYWNYAZ-SNVBAGLBSA-N 2 2 196.294 1.743 10 0 ADAELP CCCc1c[nH+]c(C[C@@H](C)C[NH3+])[nH]1 259166713 573700767 /nfs/dbraw/zinc/70/07/67/573700767.db2.gz UXIGISFCZXEEMV-MRVPVSSYSA-N 2 2 181.283 1.500 10 0 ADAELP C[C@H]1C[N@H+](CCC2CC2)CCC[NH2+]1 83913268 573699225 /nfs/dbraw/zinc/69/92/25/573699225.db2.gz GQPTXABMKXPOMJ-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[N@@H+](CCC2CC2)CCC[NH2+]1 83913268 573699230 /nfs/dbraw/zinc/69/92/30/573699230.db2.gz GQPTXABMKXPOMJ-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C1C[NH2+]CC[N@H+](CCC2CC2)C1 83912270 573699453 /nfs/dbraw/zinc/69/94/53/573699453.db2.gz IOWWXFOEPZAFRN-UHFFFAOYSA-N 2 2 168.284 1.082 10 0 ADAELP C1C[NH2+]CC[N@@H+](CCC2CC2)C1 83912270 573699458 /nfs/dbraw/zinc/69/94/58/573699458.db2.gz IOWWXFOEPZAFRN-UHFFFAOYSA-N 2 2 168.284 1.082 10 0 ADAELP Cc1cc2c(c[nH+]1)C[C@@H](C[NH3+])C2 238482886 573699609 /nfs/dbraw/zinc/69/96/09/573699609.db2.gz FRNZGJDPTBZKSW-QMMMGPOBSA-N 2 2 162.236 1.064 10 0 ADAELP CCC(=[NH2+])N1CC[N@@H+]2CCCC[C@@H]2C1 86930376 573699745 /nfs/dbraw/zinc/69/97/45/573699745.db2.gz MIWMSWAAPOUUAU-SNVBAGLBSA-N 2 2 195.310 1.544 10 0 ADAELP CCC(=[NH2+])N1CC[N@H+]2CCCC[C@@H]2C1 86930376 573699752 /nfs/dbraw/zinc/69/97/52/573699752.db2.gz MIWMSWAAPOUUAU-SNVBAGLBSA-N 2 2 195.310 1.544 10 0 ADAELP CC[NH2+]C[C@@H]([NH2+]C)c1ccc(F)cc1 259168821 573699770 /nfs/dbraw/zinc/69/97/70/573699770.db2.gz DELOXQACKZRLCN-LLVKDONJSA-N 2 2 196.269 1.696 10 0 ADAELP CC(C)[N@@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929447 573699928 /nfs/dbraw/zinc/69/99/28/573699928.db2.gz INPFXYUNZUKIQR-GFCCVEGCSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[N@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929447 573699932 /nfs/dbraw/zinc/69/99/32/573699932.db2.gz INPFXYUNZUKIQR-GFCCVEGCSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[NH+]1CCC[N@@H+]2CCCC[C@@H]2C1 86929447 573699937 /nfs/dbraw/zinc/69/99/37/573699937.db2.gz INPFXYUNZUKIQR-GFCCVEGCSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[NH+]1CCC[N@H+]2CCCC[C@@H]2C1 86929447 573699941 /nfs/dbraw/zinc/69/99/41/573699941.db2.gz INPFXYUNZUKIQR-GFCCVEGCSA-N 2 2 196.338 1.955 10 0 ADAELP CC[NH2+]C(C)(C)C[NH2+]Cc1ccoc1 130759924 573699972 /nfs/dbraw/zinc/69/99/72/573699972.db2.gz INFWJRYSQBOVJE-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 86930625 573700069 /nfs/dbraw/zinc/70/00/69/573700069.db2.gz LWASIZRNPALBFS-VXGBXAGGSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 86930625 573700082 /nfs/dbraw/zinc/70/00/82/573700082.db2.gz LWASIZRNPALBFS-VXGBXAGGSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@@H](C)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 86930625 573700095 /nfs/dbraw/zinc/70/00/95/573700095.db2.gz LWASIZRNPALBFS-VXGBXAGGSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@@H](C)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 86930625 573700102 /nfs/dbraw/zinc/70/01/02/573700102.db2.gz LWASIZRNPALBFS-VXGBXAGGSA-N 2 2 196.338 1.955 10 0 ADAELP C1C[C@@H]2C[N@H+](C3CC3)CCC[NH+]2C1 86930653 573700126 /nfs/dbraw/zinc/70/01/26/573700126.db2.gz FPCGARNXLXGHCN-LLVKDONJSA-N 2 2 180.295 1.319 10 0 ADAELP C1C[C@@H]2C[N@@H+](C3CC3)CCC[NH+]2C1 86930653 573700130 /nfs/dbraw/zinc/70/01/30/573700130.db2.gz FPCGARNXLXGHCN-LLVKDONJSA-N 2 2 180.295 1.319 10 0 ADAELP C1C[C@@H]2C[NH+](C3CC3)CCC[N@@H+]2C1 86930653 573700138 /nfs/dbraw/zinc/70/01/38/573700138.db2.gz FPCGARNXLXGHCN-LLVKDONJSA-N 2 2 180.295 1.319 10 0 ADAELP C1C[C@@H]2C[NH+](C3CC3)CCC[N@H+]2C1 86930653 573700142 /nfs/dbraw/zinc/70/01/42/573700142.db2.gz FPCGARNXLXGHCN-LLVKDONJSA-N 2 2 180.295 1.319 10 0 ADAELP C/C(=C/Cc1[nH+]ccn1C)CCC[NH3+] 308687301 573700184 /nfs/dbraw/zinc/70/01/84/573700184.db2.gz QFGFOUFRHHTNLS-YHYXMXQVSA-N 2 2 193.294 1.648 10 0 ADAELP CCCc1c[nH+]c(C[C@H](C)C[NH3+])[nH]1 259166716 573700473 /nfs/dbraw/zinc/70/04/73/573700473.db2.gz UXIGISFCZXEEMV-QMMMGPOBSA-N 2 2 181.283 1.500 10 0 ADAELP C[C@H]1CC[N@H+](CCC2CC2)CC[NH2+]1 83912307 573700512 /nfs/dbraw/zinc/70/05/12/573700512.db2.gz WMOVLYWAIUEAQW-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CC[N@@H+](CCC2CC2)CC[NH2+]1 83912307 573700515 /nfs/dbraw/zinc/70/05/15/573700515.db2.gz WMOVLYWAIUEAQW-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CC(=[NH2+])N1C[C@H]2CCCC[N@H+]2C[C@H]1C 86930393 573700948 /nfs/dbraw/zinc/70/09/48/573700948.db2.gz JYKIVCZYNNAIIM-MWLCHTKSSA-N 2 2 195.310 1.542 10 0 ADAELP CC(=[NH2+])N1C[C@H]2CCCC[N@@H+]2C[C@H]1C 86930393 573700954 /nfs/dbraw/zinc/70/09/54/573700954.db2.gz JYKIVCZYNNAIIM-MWLCHTKSSA-N 2 2 195.310 1.542 10 0 ADAELP CC(C)(C)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 86930548 573701398 /nfs/dbraw/zinc/70/13/98/573701398.db2.gz JDMOEZZPQITONG-LLVKDONJSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 86930548 573701382 /nfs/dbraw/zinc/70/13/82/573701382.db2.gz JDMOEZZPQITONG-LLVKDONJSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)(C)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 86930548 573701387 /nfs/dbraw/zinc/70/13/87/573701387.db2.gz JDMOEZZPQITONG-LLVKDONJSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)(C)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 86930548 573701392 /nfs/dbraw/zinc/70/13/92/573701392.db2.gz JDMOEZZPQITONG-LLVKDONJSA-N 2 2 196.338 1.955 10 0 ADAELP C[C@@H]1C[C@H]1[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 86931029 573701807 /nfs/dbraw/zinc/70/18/07/573701807.db2.gz YOOJGFYERUQWSA-IJLUTSLNSA-N 2 2 194.322 1.565 10 0 ADAELP C[NH2+][C@@H](c1cccs1)C(C)(C)[NH3+] 259167078 573701702 /nfs/dbraw/zinc/70/17/02/573701702.db2.gz CEPFRJNBNLBWRC-QMMMGPOBSA-N 2 2 184.308 1.746 10 0 ADAELP C[C@@H]1C[C@H]1[N@H+]1CCC[NH+]2CCC[C@@H]2C1 86931029 573701813 /nfs/dbraw/zinc/70/18/13/573701813.db2.gz YOOJGFYERUQWSA-IJLUTSLNSA-N 2 2 194.322 1.565 10 0 ADAELP C[C@@H]1C[C@H]1[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 86931029 573701817 /nfs/dbraw/zinc/70/18/17/573701817.db2.gz YOOJGFYERUQWSA-IJLUTSLNSA-N 2 2 194.322 1.565 10 0 ADAELP C[C@@H]1C[C@H]1[NH+]1CCC[N@H+]2CCC[C@@H]2C1 86931029 573701823 /nfs/dbraw/zinc/70/18/23/573701823.db2.gz YOOJGFYERUQWSA-IJLUTSLNSA-N 2 2 194.322 1.565 10 0 ADAELP C/C(=C\Cc1[nH+]ccn1C)CCC[NH3+] 308687298 573701952 /nfs/dbraw/zinc/70/19/52/573701952.db2.gz QFGFOUFRHHTNLS-BJMVGYQFSA-N 2 2 193.294 1.648 10 0 ADAELP CC(=[NH2+])N1C[C@H]2CCCC[N@H+]2C[C@@H]1C 86930395 573702111 /nfs/dbraw/zinc/70/21/11/573702111.db2.gz JYKIVCZYNNAIIM-GXSJLCMTSA-N 2 2 195.310 1.542 10 0 ADAELP CC(=[NH2+])N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C 86930395 573702113 /nfs/dbraw/zinc/70/21/13/573702113.db2.gz JYKIVCZYNNAIIM-GXSJLCMTSA-N 2 2 195.310 1.542 10 0 ADAELP C[C@H]1C[N@H+](CCC2CC2)[C@H](C)CC[NH2+]1 83940910 573702178 /nfs/dbraw/zinc/70/21/78/573702178.db2.gz FHFNHPXBEHCKBL-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@@H+](CCC2CC2)[C@H](C)CC[NH2+]1 83940910 573702184 /nfs/dbraw/zinc/70/21/84/573702184.db2.gz FHFNHPXBEHCKBL-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C1CCC[N@H+]2CCC[NH2+][C@H]2CC1 238013874 573703499 /nfs/dbraw/zinc/70/34/99/573703499.db2.gz PNKWEJZYXZWPJO-SNVBAGLBSA-N 2 2 168.284 1.572 10 0 ADAELP Cc1[nH+]ccn1-c1cc[nH+]cc1 75838634 573703271 /nfs/dbraw/zinc/70/32/71/573703271.db2.gz JJNKYDAVSMBVFL-UHFFFAOYSA-N 2 2 159.192 1.576 10 0 ADAELP C1CCC[N@@H+]2CCC[NH2+][C@H]2CC1 238013874 573703497 /nfs/dbraw/zinc/70/34/97/573703497.db2.gz PNKWEJZYXZWPJO-SNVBAGLBSA-N 2 2 168.284 1.572 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@@H+]1CCC1CC1 83940914 573704456 /nfs/dbraw/zinc/70/44/56/573704456.db2.gz KSZGSFGXBKFSKF-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@H+]1CCC1CC1 83940914 573704463 /nfs/dbraw/zinc/70/44/63/573704463.db2.gz KSZGSFGXBKFSKF-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC[NH2+][C@H](CCCCF)C[NH+](C)C 393552542 573704596 /nfs/dbraw/zinc/70/45/96/573704596.db2.gz ITXWCOMRWLPWOV-SNVBAGLBSA-N 2 2 190.306 1.666 10 0 ADAELP CCCc1[nH+]cc([C@H](C)[NH3+])n1C 108250309 573705004 /nfs/dbraw/zinc/70/50/04/573705004.db2.gz CDRDWCQVUICGGB-ZETCQYMHSA-N 2 2 167.256 1.392 10 0 ADAELP C[C@@]([NH3+])(C[NH2+]Cc1ccoc1)C1CC1 130762737 573705249 /nfs/dbraw/zinc/70/52/49/573705249.db2.gz XABQMCMHIYMOTN-LLVKDONJSA-N 2 2 194.278 1.497 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1ccc(F)cc1 259176915 573705292 /nfs/dbraw/zinc/70/52/92/573705292.db2.gz FCOSSFCEKVPSRA-SNVBAGLBSA-N 2 2 196.269 1.824 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1CC1 83926008 573705477 /nfs/dbraw/zinc/70/54/77/573705477.db2.gz TZKIETLPCPNMIO-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1CC1 83926008 573705481 /nfs/dbraw/zinc/70/54/81/573705481.db2.gz TZKIETLPCPNMIO-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@@H+]1CCC1CC1 83940917 573705517 /nfs/dbraw/zinc/70/55/17/573705517.db2.gz KSZGSFGXBKFSKF-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@H+]1CCC1CC1 83940917 573705525 /nfs/dbraw/zinc/70/55/25/573705525.db2.gz KSZGSFGXBKFSKF-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[NH2+]C[NH2+]CC(C)(C)C1CCC1 258888880 573707981 /nfs/dbraw/zinc/70/79/81/573707981.db2.gz JGGQEIVUYVXGMT-UHFFFAOYSA-N 2 2 170.300 1.579 10 0 ADAELP CC[C@@](C)([NH3+])C[NH2+]Cc1ccoc1 130761204 573707621 /nfs/dbraw/zinc/70/76/21/573707621.db2.gz JCWOPIQCNWBSBL-SNVBAGLBSA-N 2 2 182.267 1.497 10 0 ADAELP [NH3+]C[C@@H]1CC[C@H]2c3ccccc3C[N@H+]12 257850493 573708212 /nfs/dbraw/zinc/70/82/12/573708212.db2.gz OTIQQFDELKUBKD-JQWIXIFHSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C[C@@H]1CC[C@H]2c3ccccc3C[N@@H+]12 257850493 573708215 /nfs/dbraw/zinc/70/82/15/573708215.db2.gz OTIQQFDELKUBKD-JQWIXIFHSA-N 2 2 188.274 1.664 10 0 ADAELP CCC[C@](C)([NH3+])C[NH2+]Cc1ccoc1 130781169 573708245 /nfs/dbraw/zinc/70/82/45/573708245.db2.gz UJYPNSOBKUZHBM-NSHDSACASA-N 2 2 196.294 1.887 10 0 ADAELP CC[C@@H](C)[C@H]([NH3+])C[NH2+]Cc1ccoc1 130788578 573708288 /nfs/dbraw/zinc/70/82/88/573708288.db2.gz RRAOJJYXCGRRAH-MWLCHTKSSA-N 2 2 196.294 1.743 10 0 ADAELP CC(C)[NH2+]CC[NH2+][C@H](C)CC(F)F 393553715 573708322 /nfs/dbraw/zinc/70/83/22/573708322.db2.gz HSLMJZLAJNFZSO-MRVPVSSYSA-N 2 2 194.269 1.618 10 0 ADAELP C[C@@]1(C[NH2+]Cc2ccoc2)CCC[NH2+]1 130791329 573708494 /nfs/dbraw/zinc/70/84/94/573708494.db2.gz CFGVQCROJFYQRI-NSHDSACASA-N 2 2 194.278 1.511 10 0 ADAELP C1CCC([C@@H]2CCC[NH2+]C2)=[NH+]C1 238012140 573708514 /nfs/dbraw/zinc/70/85/14/573708514.db2.gz CWZJOIQNGPSCKR-SECBINFHSA-N 2 2 166.268 1.611 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] 259561495 573708527 /nfs/dbraw/zinc/70/85/27/573708527.db2.gz VBKRJBVDZOTRJM-VXNVDRBHSA-N 2 2 168.240 1.196 10 0 ADAELP [NH3+]C[C@H]1CC[C@H]2c3ccccc3C[N@@H+]21 257850494 573708724 /nfs/dbraw/zinc/70/87/24/573708724.db2.gz OTIQQFDELKUBKD-PWSUYJOCSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C[C@H]1CC[C@H]2c3ccccc3C[N@H+]21 257850494 573708729 /nfs/dbraw/zinc/70/87/29/573708729.db2.gz OTIQQFDELKUBKD-PWSUYJOCSA-N 2 2 188.274 1.664 10 0 ADAELP Cc1[nH+]c(CC[NH3+])cn1C1CC1 108264850 573708910 /nfs/dbraw/zinc/70/89/10/573708910.db2.gz MFRBVSFKGPJITB-UHFFFAOYSA-N 2 2 165.240 1.028 10 0 ADAELP CC[C@H](C)[C@@H]([NH3+])C[NH2+]Cc1ccoc1 130789167 573709194 /nfs/dbraw/zinc/70/91/94/573709194.db2.gz RRAOJJYXCGRRAH-ONGXEEELSA-N 2 2 196.294 1.743 10 0 ADAELP CCCC[C@@H]([NH3+])C[NH2+]Cc1ccoc1 130788365 573708949 /nfs/dbraw/zinc/70/89/49/573708949.db2.gz BGZOCQGITZWBPE-LLVKDONJSA-N 2 2 196.294 1.887 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1ccc(O)cc1 257850520 573709087 /nfs/dbraw/zinc/70/90/87/573709087.db2.gz OUKCDIBZISKHNT-LLVKDONJSA-N 2 2 194.278 1.390 10 0 ADAELP CCCC[C@H]([NH3+])C[NH2+]Cc1ccoc1 130788157 573709288 /nfs/dbraw/zinc/70/92/88/573709288.db2.gz BGZOCQGITZWBPE-NSHDSACASA-N 2 2 196.294 1.887 10 0 ADAELP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccoc1 130778657 573709310 /nfs/dbraw/zinc/70/93/10/573709310.db2.gz FMOTUSSZXKNRDI-LLVKDONJSA-N 2 2 196.294 1.743 10 0 ADAELP CCOc1cc[nH+]cc1[C@@H](F)CC[NH3+] 308688516 573709424 /nfs/dbraw/zinc/70/94/24/573709424.db2.gz QOBIDDCJJGBTMS-VIFPVBQESA-N 2 2 198.241 1.840 10 0 ADAELP Cc1ccc(CC[NH2+]C[NH3+])cc1 258888982 573709581 /nfs/dbraw/zinc/70/95/81/573709581.db2.gz MUZOWGJGYOBVIM-UHFFFAOYSA-N 2 2 164.252 1.043 10 0 ADAELP [NH3+]C[C@H]1Cc2cc(Cl)ccc2C[NH2+]1 257850577 573709903 /nfs/dbraw/zinc/70/99/03/573709903.db2.gz OWDPVFRRNAAKFU-SNVBAGLBSA-N 2 2 196.681 1.313 10 0 ADAELP c1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)co1 130789630 573709912 /nfs/dbraw/zinc/70/99/12/573709912.db2.gz HJVYBBBROHISFI-NSHDSACASA-N 2 2 194.278 1.511 10 0 ADAELP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccoc1 130778006 573709930 /nfs/dbraw/zinc/70/99/30/573709930.db2.gz BSXOXUYAXMCDLI-SNVBAGLBSA-N 2 2 182.267 1.353 10 0 ADAELP CCC[C@@](C)([NH3+])C[NH2+]Cc1ccoc1 130781411 573709941 /nfs/dbraw/zinc/70/99/41/573709941.db2.gz UJYPNSOBKUZHBM-LLVKDONJSA-N 2 2 196.294 1.887 10 0 ADAELP CC(C)[NH2+]CC[NH2+][C@@H](C)CC(F)F 393553718 573710024 /nfs/dbraw/zinc/71/00/24/573710024.db2.gz HSLMJZLAJNFZSO-QMMMGPOBSA-N 2 2 194.269 1.618 10 0 ADAELP c1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)co1 130789863 573710111 /nfs/dbraw/zinc/71/01/11/573710111.db2.gz HJVYBBBROHISFI-LLVKDONJSA-N 2 2 194.278 1.511 10 0 ADAELP C1C[NH+]=C2CCCC[C@H]2[NH2+]C1 238012752 573710129 /nfs/dbraw/zinc/71/01/29/573710129.db2.gz QBLQSDAFDJNSTG-MRVPVSSYSA-N 2 2 152.241 1.363 10 0 ADAELP C[NH2+]C(C)(C)C[NH2+]Cc1ccoc1 130782030 573710131 /nfs/dbraw/zinc/71/01/31/573710131.db2.gz UFQDJLNVTCCGSQ-UHFFFAOYSA-N 2 2 182.267 1.367 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccoc1 130778230 573710196 /nfs/dbraw/zinc/71/01/96/573710196.db2.gz BSXOXUYAXMCDLI-JTQLQIEISA-N 2 2 182.267 1.353 10 0 ADAELP C[C@]1(C[NH2+]Cc2ccoc2)CCC[NH2+]1 130791121 573710238 /nfs/dbraw/zinc/71/02/38/573710238.db2.gz CFGVQCROJFYQRI-LLVKDONJSA-N 2 2 194.278 1.511 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])C[NH2+]Cc1ccoc1 130788793 573710434 /nfs/dbraw/zinc/71/04/34/573710434.db2.gz RRAOJJYXCGRRAH-GXSJLCMTSA-N 2 2 196.294 1.743 10 0 ADAELP [NH3+]C[C@@H]1CC[C@@H]2c3ccccc3C[N@H+]12 257850492 573712154 /nfs/dbraw/zinc/71/21/54/573712154.db2.gz OTIQQFDELKUBKD-CMPLNLGQSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C[C@@H]1CC[C@@H]2c3ccccc3C[N@@H+]12 257850492 573712159 /nfs/dbraw/zinc/71/21/59/573712159.db2.gz OTIQQFDELKUBKD-CMPLNLGQSA-N 2 2 188.274 1.664 10 0 ADAELP C1C[NH+]=C2CCCC[C@@H]2[NH2+]C1 238012785 573712190 /nfs/dbraw/zinc/71/21/90/573712190.db2.gz QBLQSDAFDJNSTG-QMMMGPOBSA-N 2 2 152.241 1.363 10 0 ADAELP [NH3+]C[C@@H]1Cc2cc(Cl)ccc2C[NH2+]1 257850574 573712435 /nfs/dbraw/zinc/71/24/35/573712435.db2.gz OWDPVFRRNAAKFU-JTQLQIEISA-N 2 2 196.681 1.313 10 0 ADAELP Cc1ccc(C[C@H]2CC[NH2+]C2)c(C)[nH+]1 238493202 573712718 /nfs/dbraw/zinc/71/27/18/573712718.db2.gz OGZKPYNZEGVRGP-LLVKDONJSA-N 2 2 190.290 1.850 10 0 ADAELP CC1(C)[C@H]([NH3+])C[C@H]1Nc1cccc[nH+]1 122216273 573712987 /nfs/dbraw/zinc/71/29/87/573712987.db2.gz SJTNVEOZLVYMLE-RKDXNWHRSA-N 2 2 191.278 1.619 10 0 ADAELP C[NH2+]Cc1ccccc1N1C=[NH+]CC1 108268011 573713010 /nfs/dbraw/zinc/71/30/10/573713010.db2.gz MVQWVILXJRXAPV-UHFFFAOYSA-N 2 2 189.262 1.254 10 0 ADAELP CC1(C)[C@@H]([NH3+])C[C@@H]1Nc1cccc[nH+]1 122216043 573713100 /nfs/dbraw/zinc/71/31/00/573713100.db2.gz SJTNVEOZLVYMLE-IUCAKERBSA-N 2 2 191.278 1.619 10 0 ADAELP CC1(C)[C@@H](Nc2cccc[nH+]2)C[C@H]1[NH3+] 122215852 573713124 /nfs/dbraw/zinc/71/31/24/573713124.db2.gz SJTNVEOZLVYMLE-BDAKNGLRSA-N 2 2 191.278 1.619 10 0 ADAELP CC1(C)[C@@H]([NH3+])C[C@H]1Nc1cccc[nH+]1 122216521 573713243 /nfs/dbraw/zinc/71/32/43/573713243.db2.gz SJTNVEOZLVYMLE-DTWKUNHWSA-N 2 2 191.278 1.619 10 0 ADAELP CN1CC[NH+]=C1[C@@H]([NH3+])c1ccccc1 108267999 573713174 /nfs/dbraw/zinc/71/31/74/573713174.db2.gz FJEAQJLSSRSRPH-JTQLQIEISA-N 2 2 189.262 1.030 10 0 ADAELP C[C@@H](CNc1c[nH+]cc(N)c1)[NH+](C)C 122268006 573717310 /nfs/dbraw/zinc/71/73/10/573717310.db2.gz VNFLXLZQNHAHLO-QMMMGPOBSA-N 2 2 194.282 1.026 10 0 ADAELP c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)co1 130799994 573715819 /nfs/dbraw/zinc/71/58/19/573715819.db2.gz YQZMNHXUNLEEJQ-SNVBAGLBSA-N 2 2 180.251 1.121 10 0 ADAELP CN1CC[NH+]=C1[C@H]([NH3+])c1ccccc1 108267997 573715855 /nfs/dbraw/zinc/71/58/55/573715855.db2.gz FJEAQJLSSRSRPH-SNVBAGLBSA-N 2 2 189.262 1.030 10 0 ADAELP C[C@H](CNc1c[nH+]cc(N)c1)[NH+](C)C 122268202 573716064 /nfs/dbraw/zinc/71/60/64/573716064.db2.gz VNFLXLZQNHAHLO-MRVPVSSYSA-N 2 2 194.282 1.026 10 0 ADAELP C[NH2+]C[C@H]1Cc2ccc(C)cc2C[NH2+]1 257855052 573716558 /nfs/dbraw/zinc/71/65/58/573716558.db2.gz PTVYJPFWYNZNAV-GFCCVEGCSA-N 2 2 190.290 1.229 10 0 ADAELP [NH3+]Cc1ccc2ccc3[nH+]ccn3c2c1 258097312 573716780 /nfs/dbraw/zinc/71/67/80/573716780.db2.gz NQSCXPKUBNRDPB-UHFFFAOYSA-N 2 2 197.241 1.946 10 0 ADAELP C[NH2+][C@@H](C[NH2+]C(C)C)c1cccnc1 259618717 573716787 /nfs/dbraw/zinc/71/67/87/573716787.db2.gz YSSHUASDATYEID-NSHDSACASA-N 2 2 193.294 1.340 10 0 ADAELP C[NH2+]C[C@@H]1Cc2ccc(C)cc2C[NH2+]1 257855055 573717017 /nfs/dbraw/zinc/71/70/17/573717017.db2.gz PTVYJPFWYNZNAV-LBPRGKRZSA-N 2 2 190.290 1.229 10 0 ADAELP C[NH2+][C@H](C[NH2+]C(C)C)c1cccnc1 259618714 573717914 /nfs/dbraw/zinc/71/79/14/573717914.db2.gz YSSHUASDATYEID-LLVKDONJSA-N 2 2 193.294 1.340 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)C(C)(C)C[NH3+] 258891761 573718003 /nfs/dbraw/zinc/71/80/03/573718003.db2.gz RECZWBMEQDSMJB-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)C(C)(C)C[NH3+] 258891761 573718006 /nfs/dbraw/zinc/71/80/06/573718006.db2.gz RECZWBMEQDSMJB-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]2CCCC[N@H+]21 238494820 573718674 /nfs/dbraw/zinc/71/86/74/573718674.db2.gz CALBXQZBTPPTRJ-IUCAKERBSA-N 2 2 154.257 1.180 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]2CCCC[N@@H+]12 238494902 573720186 /nfs/dbraw/zinc/72/01/86/573720186.db2.gz CALBXQZBTPPTRJ-DTWKUNHWSA-N 2 2 154.257 1.180 10 0 ADAELP CN(CC1(C[NH3+])CC1)c1cccc[nH+]1 258891797 573720276 /nfs/dbraw/zinc/72/02/76/573720276.db2.gz KEVDAUXOYLVJBV-UHFFFAOYSA-N 2 2 191.278 1.257 10 0 ADAELP CC(C)[NH2+]C[C@@H]([NH3+])COC(C)(C)C 393555879 573720625 /nfs/dbraw/zinc/72/06/25/573720625.db2.gz RZLMBSVQIAKFRC-SECBINFHSA-N 2 2 188.315 1.127 10 0 ADAELP c1[nH]c2c([nH+]1)CC[C@@H]1CC[NH2+]C[C@H]21 238041680 573720651 /nfs/dbraw/zinc/72/06/51/573720651.db2.gz AZKWJMHSWQAZRY-SFYZADRCSA-N 2 2 177.251 1.049 10 0 ADAELP c1[nH]c2c([nH+]1)[C@H]1C[NH2+]CC[C@H]1CC2 238041680 573720657 /nfs/dbraw/zinc/72/06/57/573720657.db2.gz AZKWJMHSWQAZRY-SFYZADRCSA-N 2 2 177.251 1.049 10 0 ADAELP c1cn(C2CC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 75869710 573721597 /nfs/dbraw/zinc/72/15/97/573721597.db2.gz OMOVVGBATNEMEL-SECBINFHSA-N 2 2 191.278 1.685 10 0 ADAELP c1ccc2c(c1)C[NH2+][C@@H]1CCC[N@H+]1C2 238043014 573721874 /nfs/dbraw/zinc/72/18/74/573721874.db2.gz ILOYVPYGEPNDEE-LBPRGKRZSA-N 2 2 188.274 1.712 10 0 ADAELP c1ccc2c(c1)C[NH2+][C@@H]1CCC[N@@H+]1C2 238043014 573721879 /nfs/dbraw/zinc/72/18/79/573721879.db2.gz ILOYVPYGEPNDEE-LBPRGKRZSA-N 2 2 188.274 1.712 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1C[C@@H]1CC[NH2+]C1 257856924 573722000 /nfs/dbraw/zinc/72/20/00/573722000.db2.gz QEJPLLGLINCOIW-QMMMGPOBSA-N 2 2 191.278 1.439 10 0 ADAELP c1[nH+]c(C2CC2)[nH]c1C[C@@H]1CC[NH2+]C1 257856924 573722004 /nfs/dbraw/zinc/72/20/04/573722004.db2.gz QEJPLLGLINCOIW-QMMMGPOBSA-N 2 2 191.278 1.439 10 0 ADAELP Cc1[nH+]cccc1[C@@H]1CC[C@@H]([NH3+])C1 238495156 573722610 /nfs/dbraw/zinc/72/26/10/573722610.db2.gz ZMRUYHDOHZGHAG-NXEZZACHSA-N 2 2 176.263 1.985 10 0 ADAELP C[N@H+](C[NH3+])CC1CCCC1 258892055 573722685 /nfs/dbraw/zinc/72/26/85/573722685.db2.gz NBUNOGKPSJUTOO-UHFFFAOYSA-N 2 2 142.246 1.025 10 0 ADAELP C[N@@H+](C[NH3+])CC1CCCC1 258892055 573722690 /nfs/dbraw/zinc/72/26/90/573722690.db2.gz NBUNOGKPSJUTOO-UHFFFAOYSA-N 2 2 142.246 1.025 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1C[C@H]1CC[NH2+]C1 257856922 573722904 /nfs/dbraw/zinc/72/29/04/573722904.db2.gz QEJPLLGLINCOIW-MRVPVSSYSA-N 2 2 191.278 1.439 10 0 ADAELP c1[nH+]c(C2CC2)[nH]c1C[C@H]1CC[NH2+]C1 257856922 573722907 /nfs/dbraw/zinc/72/29/07/573722907.db2.gz QEJPLLGLINCOIW-MRVPVSSYSA-N 2 2 191.278 1.439 10 0 ADAELP c1[nH]c2c([nH+]1)CC[C@@H]1CC[NH2+]C[C@@H]21 238041650 573723017 /nfs/dbraw/zinc/72/30/17/573723017.db2.gz AZKWJMHSWQAZRY-HTQZYQBOSA-N 2 2 177.251 1.049 10 0 ADAELP c1[nH]c2c([nH+]1)[C@@H]1C[NH2+]CC[C@H]1CC2 238041650 573723020 /nfs/dbraw/zinc/72/30/20/573723020.db2.gz AZKWJMHSWQAZRY-HTQZYQBOSA-N 2 2 177.251 1.049 10 0 ADAELP Cc1[nH+]cccc1[C@H]1CC[NH2+]C[C@H]1F 238495968 573723332 /nfs/dbraw/zinc/72/33/32/573723332.db2.gz CQGOVERBNWBMTJ-GHMZBOCLSA-N 2 2 194.253 1.805 10 0 ADAELP Cc1[nH+]cccc1[C@H]1CC[C@H]([NH3+])C1 238496039 573724268 /nfs/dbraw/zinc/72/42/68/573724268.db2.gz ZMRUYHDOHZGHAG-UWVGGRQHSA-N 2 2 176.263 1.985 10 0 ADAELP c1ccn2c3c([nH+]c2c1)CC[NH2+]CC3 238047216 573724271 /nfs/dbraw/zinc/72/42/71/573724271.db2.gz DSZQXDBVNMJOGE-UHFFFAOYSA-N 2 2 187.246 1.023 10 0 ADAELP CC[C@@H](C[NH3+])[C@H]([NH3+])c1ccc(C)o1 259563160 573724522 /nfs/dbraw/zinc/72/45/22/573724522.db2.gz VDUPSHPISAEUCH-WPRPVWTQSA-N 2 2 182.267 1.573 10 0 ADAELP CCc1[nH]c2c([nH+]1)CCC[C@H]2[NH3+] 124957322 573724621 /nfs/dbraw/zinc/72/46/21/573724621.db2.gz QXRTXKSSPLUCHP-ZCFIWIBFSA-N 2 2 165.240 1.308 10 0 ADAELP C[NH+](C)CC[NH2+]C1CC(C(F)F)C1 308426253 573724668 /nfs/dbraw/zinc/72/46/68/573724668.db2.gz RIORVHIIFSBBEN-UHFFFAOYSA-N 2 2 192.253 1.181 10 0 ADAELP CC(C)([NH3+])C[NH+]1CC(C)(C)C1 108283768 573726198 /nfs/dbraw/zinc/72/61/98/573726198.db2.gz PWZOAWCNYBPZDU-UHFFFAOYSA-N 2 2 156.273 1.066 10 0 ADAELP CC(C)[NH2+]CC[NH2+]Cc1ccc[nH]1 258891926 573727120 /nfs/dbraw/zinc/72/71/20/573727120.db2.gz LMBRFBSGPKORGT-UHFFFAOYSA-N 2 2 181.283 1.102 10 0 ADAELP Cn1cc[nH+]c1[C@@H](C[NH3+])c1ccco1 83967216 573727084 /nfs/dbraw/zinc/72/70/84/573727084.db2.gz UBZABXBYKRYVIU-QMMMGPOBSA-N 2 2 191.234 1.104 10 0 ADAELP 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/nfs/dbraw/zinc/72/93/56/573729356.db2.gz AJARZFNQZVSBIH-VIFPVBQESA-N 2 2 179.267 1.229 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C)C1 75906641 573729362 /nfs/dbraw/zinc/72/93/62/573729362.db2.gz AJARZFNQZVSBIH-VIFPVBQESA-N 2 2 179.267 1.229 10 0 ADAELP [NH3+]C[C@@H]1CC[C@H](n2cc[nH+]c2)C1 108285702 573729559 /nfs/dbraw/zinc/72/95/59/573729559.db2.gz XYULPHIZTJWZBW-BDAKNGLRSA-N 2 2 165.240 1.183 10 0 ADAELP c1cn(CC[C@H]2CCC[NH2+]2)c[nH+]1 108285681 573729933 /nfs/dbraw/zinc/72/99/33/573729933.db2.gz KUFBOHLHZYIXFD-SECBINFHSA-N 2 2 165.240 1.025 10 0 ADAELP C[NH2+]CC[C@H](c1ccncc1)[NH+](C)C 83982846 573730171 /nfs/dbraw/zinc/73/01/71/573730171.db2.gz ZRNXXURQDJEYHC-LLVKDONJSA-N 2 2 193.294 1.294 10 0 ADAELP Cc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])o1 83983066 573730202 /nfs/dbraw/zinc/73/02/02/573730202.db2.gz DGIXRQHYHPRPBI-SNVBAGLBSA-N 2 2 194.278 1.684 10 0 ADAELP Cc1ccc([C@H]2CCC[N@H+]2CC[NH3+])o1 83983066 573730207 /nfs/dbraw/zinc/73/02/07/573730207.db2.gz DGIXRQHYHPRPBI-SNVBAGLBSA-N 2 2 194.278 1.684 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@H]1[NH+]1CCC1 108287463 573732904 /nfs/dbraw/zinc/73/29/04/573732904.db2.gz RGZSPBJAMYSWOB-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[NH+]1CC(C)C1 108287522 573733272 /nfs/dbraw/zinc/73/32/72/573733272.db2.gz PCAPZKMXCPIPCC-VHSXEESVSA-N 2 2 168.284 1.079 10 0 ADAELP Cc1cccc(C)c1NC[C@@H]([NH3+])C[NH3+] 258895648 573733352 /nfs/dbraw/zinc/73/33/52/573733352.db2.gz GASKTRHOZVWMED-JTQLQIEISA-N 2 2 193.294 1.001 10 0 ADAELP Cc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])o1 83983065 573733392 /nfs/dbraw/zinc/73/33/92/573733392.db2.gz DGIXRQHYHPRPBI-JTQLQIEISA-N 2 2 194.278 1.684 10 0 ADAELP Cc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])o1 83983065 573733396 /nfs/dbraw/zinc/73/33/96/573733396.db2.gz DGIXRQHYHPRPBI-JTQLQIEISA-N 2 2 194.278 1.684 10 0 ADAELP C[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC1 108287460 573733568 /nfs/dbraw/zinc/73/35/68/573733568.db2.gz RGZSPBJAMYSWOB-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP CSCCn1cc[nH+]c1C[C@H](C)[NH3+] 130930562 573733972 /nfs/dbraw/zinc/73/39/72/573733972.db2.gz PSWNTWRKIGFSBW-QMMMGPOBSA-N 2 2 199.323 1.136 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+]1[C@@H](C)CC[C@H]1C 642833910 573734557 /nfs/dbraw/zinc/73/45/57/573734557.db2.gz GVBWGWPEDVQAOK-AOOOYVTPSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+]1[C@@H](C)CC[C@H]1C 642833910 573734563 /nfs/dbraw/zinc/73/45/63/573734563.db2.gz GVBWGWPEDVQAOK-AOOOYVTPSA-N 2 2 184.327 1.857 10 0 ADAELP [NH3+][C@H]1C[C@@H]1c1cn2ccccc2[nH+]1 83999491 573734614 /nfs/dbraw/zinc/73/46/14/573734614.db2.gz VACSULYGAYWCAW-YUMQZZPRSA-N 2 2 173.219 1.149 10 0 ADAELP CC[NH2+][C@H](C)/C(C)=C\c1c[nH+]cn1C 308429857 573734701 /nfs/dbraw/zinc/73/47/01/573734701.db2.gz CETWVDPZQHMBJF-ABRRARGCSA-N 2 2 193.294 1.821 10 0 ADAELP [NH3+]C[C@@H]1C[C@@H]1c1cn2ccccc2[nH+]1 83999548 573735787 /nfs/dbraw/zinc/73/57/87/573735787.db2.gz ULFBKAXBHOTLQK-IUCAKERBSA-N 2 2 187.246 1.397 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[NH+]1CC(C)C1 108287530 573735887 /nfs/dbraw/zinc/73/58/87/573735887.db2.gz PCAPZKMXCPIPCC-NXEZZACHSA-N 2 2 168.284 1.079 10 0 ADAELP CSCCn1cc[nH+]c1C[C@@H](C)[NH3+] 130930774 573735942 /nfs/dbraw/zinc/73/59/42/573735942.db2.gz PSWNTWRKIGFSBW-MRVPVSSYSA-N 2 2 199.323 1.136 10 0 ADAELP C[C@H](C[NH3+])n1c[nH+]c2cc(O)ccc21 75935225 573737304 /nfs/dbraw/zinc/73/73/04/573737304.db2.gz OBDIFAHLULTAQQ-SSDOTTSWSA-N 2 2 191.234 1.262 10 0 ADAELP [NH3+][C@@H]1C[C@H]1c1cn2ccccc2[nH+]1 83999493 573738194 /nfs/dbraw/zinc/73/81/94/573738194.db2.gz VACSULYGAYWCAW-HTQZYQBOSA-N 2 2 173.219 1.149 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1ccccc1C1CC1 87015032 573736958 /nfs/dbraw/zinc/73/69/58/573736958.db2.gz ZNLMPTINYGBSBC-LLVKDONJSA-N 2 2 176.263 1.523 10 0 ADAELP [NH3+]C/C=C/c1cn2ccccc2[nH+]1 83999595 573737050 /nfs/dbraw/zinc/73/70/50/573737050.db2.gz LRILDBJBRPYYDM-ONEGZZNKSA-N 2 2 173.219 1.306 10 0 ADAELP CCN(CC[NH3+])c1c[nH+]c(C)c(C)c1 308693889 573737088 /nfs/dbraw/zinc/73/70/88/573737088.db2.gz SHLGFMUASFLZSZ-UHFFFAOYSA-N 2 2 193.294 1.483 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccccc1C1CC1 87015033 573737202 /nfs/dbraw/zinc/73/72/02/573737202.db2.gz ZNLMPTINYGBSBC-NSHDSACASA-N 2 2 176.263 1.523 10 0 ADAELP [NH3+][C@H]1C[C@H]1c1cn2ccccc2[nH+]1 83999488 573737284 /nfs/dbraw/zinc/73/72/84/573737284.db2.gz VACSULYGAYWCAW-SFYZADRCSA-N 2 2 173.219 1.149 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)c1cccnc1 308694649 573737425 /nfs/dbraw/zinc/73/74/25/573737425.db2.gz SLUACSBEBOSQLZ-LPEHRKFASA-N 2 2 193.294 1.468 10 0 ADAELP CC[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 108295234 573737441 /nfs/dbraw/zinc/73/74/41/573737441.db2.gz AYBYHNLEMJHUDW-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 108295234 573737444 /nfs/dbraw/zinc/73/74/44/573737444.db2.gz AYBYHNLEMJHUDW-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1cccc(C2CC2)c1 87012079 573737502 /nfs/dbraw/zinc/73/75/02/573737502.db2.gz XQAJKRNDWNDSMH-LLVKDONJSA-N 2 2 176.263 1.523 10 0 ADAELP CC[C@H]([NH3+])Cc1cn2ccccc2[nH+]1 83999136 573737766 /nfs/dbraw/zinc/73/77/66/573737766.db2.gz ZUNWRSITSXFEED-VIFPVBQESA-N 2 2 189.262 1.614 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1ccc(C2CC2)cc1 87012083 573739791 /nfs/dbraw/zinc/73/97/91/573739791.db2.gz AQDLUHADBINBKY-LLVKDONJSA-N 2 2 176.263 1.523 10 0 ADAELP CC(C)[C@@H]1C[NH2+]CC2(CCCC2)[NH2+]1 108294906 573739819 /nfs/dbraw/zinc/73/98/19/573739819.db2.gz WXALXDUNLXFLRT-JTQLQIEISA-N 2 2 182.311 1.517 10 0 ADAELP [NH3+]CC1CCC(n2cc[nH+]c2)CC1 108292564 573740126 /nfs/dbraw/zinc/74/01/26/573740126.db2.gz MBPWCRCFOLJVRW-UHFFFAOYSA-N 2 2 179.267 1.573 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc(C2CC2)cc1 87012085 573740309 /nfs/dbraw/zinc/74/03/09/573740309.db2.gz AQDLUHADBINBKY-NSHDSACASA-N 2 2 176.263 1.523 10 0 ADAELP Cc1c[nH+]c(CCC2([NH3+])CC2)[nH]1 258420284 573740665 /nfs/dbraw/zinc/74/06/65/573740665.db2.gz BYIFLDXPPNZXJF-UHFFFAOYSA-N 2 2 165.240 1.142 10 0 ADAELP CCC1(CC)C[NH2+]C[C@@H](C(C)C)[NH2+]1 108297248 573740846 /nfs/dbraw/zinc/74/08/46/573740846.db2.gz 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/nfs/dbraw/zinc/75/28/90/573752890.db2.gz YQSFHHBPSBCHEI-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+](C2CCCCC2)C1 87039338 573752897 /nfs/dbraw/zinc/75/28/97/573752897.db2.gz YQSFHHBPSBCHEI-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccoc2)C1 87039263 573752923 /nfs/dbraw/zinc/75/29/23/573752923.db2.gz UMGMNQOEJSGKQH-MWLCHTKSSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccoc2)C1 87039263 573752930 /nfs/dbraw/zinc/75/29/30/573752930.db2.gz UMGMNQOEJSGKQH-MWLCHTKSSA-N 2 2 194.278 1.449 10 0 ADAELP CCC(CC)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039720 573752957 /nfs/dbraw/zinc/75/29/57/573752957.db2.gz GYBCWESIHVVSEG-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(CC)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039720 573752962 /nfs/dbraw/zinc/75/29/62/573752962.db2.gz GYBCWESIHVVSEG-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1ccc([C@H]([NH3+])C(C)(C)C[NH3+])o1 259182656 573758228 /nfs/dbraw/zinc/75/82/28/573758228.db2.gz FHUKSLYSWQWOSQ-VIFPVBQESA-N 2 2 182.267 1.573 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 84054021 573757656 /nfs/dbraw/zinc/75/76/56/573757656.db2.gz SKDKEBKZNNKHBF-VWYCJHECSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 84054021 573757662 /nfs/dbraw/zinc/75/76/62/573757662.db2.gz SKDKEBKZNNKHBF-VWYCJHECSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](c1cc[nH]c1)[C@H]1CCCC[NH2+]1 259564819 573758527 /nfs/dbraw/zinc/75/85/27/573758527.db2.gz WJXPTVHYUAHNCU-GHMZBOCLSA-N 2 2 193.294 1.417 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)C[C@@H]1CCC[NH2+]1 258911672 573758543 /nfs/dbraw/zinc/75/85/43/573758543.db2.gz NOKMIMUFNYQJLW-NSHDSACASA-N 2 2 193.294 1.199 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)C[C@@H]1CCC[NH2+]1 258911672 573758548 /nfs/dbraw/zinc/75/85/48/573758548.db2.gz NOKMIMUFNYQJLW-NSHDSACASA-N 2 2 193.294 1.199 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@H](C)CC[C@H]1C 84054037 573758802 /nfs/dbraw/zinc/75/88/02/573758802.db2.gz SKDKEBKZNNKHBF-MXWKQRLJSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1C[C@H](C)CC[C@H]1C 84054037 573758805 /nfs/dbraw/zinc/75/88/05/573758805.db2.gz SKDKEBKZNNKHBF-MXWKQRLJSA-N 2 2 184.327 1.715 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)CC(C)(C)[NH3+] 258911742 573759037 /nfs/dbraw/zinc/75/90/37/573759037.db2.gz SVGMXAAYXCGIJS-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)CC(C)(C)[NH3+] 258911742 573759043 /nfs/dbraw/zinc/75/90/43/573759043.db2.gz SVGMXAAYXCGIJS-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP C[NH2+]CC(C)(C)[NH2+]Cc1cccnc1 258914798 573759657 /nfs/dbraw/zinc/75/96/57/573759657.db2.gz IANASOMFZODWID-UHFFFAOYSA-N 2 2 193.294 1.169 10 0 ADAELP Cc1ccc[nH+]c1CC1CC[NH2+]CC1 238505505 573759683 /nfs/dbraw/zinc/75/96/83/573759683.db2.gz ACGOJOLXUHVXJS-UHFFFAOYSA-N 2 2 190.290 1.932 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)C[C@H]1CCC[NH2+]1 258911671 573759814 /nfs/dbraw/zinc/75/98/14/573759814.db2.gz NOKMIMUFNYQJLW-LLVKDONJSA-N 2 2 193.294 1.199 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)C[C@H]1CCC[NH2+]1 258911671 573759819 /nfs/dbraw/zinc/75/98/19/573759819.db2.gz NOKMIMUFNYQJLW-LLVKDONJSA-N 2 2 193.294 1.199 10 0 ADAELP CCn1cc[nH+]c1NCc1c[nH]c[nH+]1 84081356 573761130 /nfs/dbraw/zinc/76/11/30/573761130.db2.gz BETZTFZYWKBBET-UHFFFAOYSA-N 2 2 191.238 1.238 10 0 ADAELP Cc1[nH]c2c([nH+]1)[C@@H]([C@@H](C)[NH3+])CCC2 76089349 573760707 /nfs/dbraw/zinc/76/07/07/573760707.db2.gz RKQPQMYKDODJBV-HTRCEHHLSA-N 2 2 179.267 1.485 10 0 ADAELP CC(C)n1c[nH+]c2c1[C@H](C[NH3+])CCC2 76088192 573760783 /nfs/dbraw/zinc/76/07/83/573760783.db2.gz YIOIRFPVWLUXFJ-VIFPVBQESA-N 2 2 193.294 1.843 10 0 ADAELP C1=CC[C@H]([N@@H+]2CCC[NH2+]CC2)CC1 84080714 573760950 /nfs/dbraw/zinc/76/09/50/573760950.db2.gz VXFGGHBBWVRENI-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP C1=CC[C@H]([N@H+]2CCC[NH2+]CC2)CC1 84080714 573760956 /nfs/dbraw/zinc/76/09/56/573760956.db2.gz VXFGGHBBWVRENI-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCCc2c1[nH+]cn2C 76087608 573761077 /nfs/dbraw/zinc/76/10/77/573761077.db2.gz KEVXUAWHONFCFO-JGVFFNPUSA-N 2 2 179.267 1.187 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCCc2[nH+]cn(C)c21 76087725 573761233 /nfs/dbraw/zinc/76/12/33/573761233.db2.gz WVSHMTVSCZGMPI-JGVFFNPUSA-N 2 2 179.267 1.187 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2CC=CCC2)CCC[NH2+]1 84080692 573761250 /nfs/dbraw/zinc/76/12/50/573761250.db2.gz RIWOEFSLJNHVRR-NEPJUHHUSA-N 2 2 194.322 1.779 10 0 ADAELP C[C@@H]1C[N@H+]([C@H]2CC=CCC2)CCC[NH2+]1 84080692 573761252 /nfs/dbraw/zinc/76/12/52/573761252.db2.gz RIWOEFSLJNHVRR-NEPJUHHUSA-N 2 2 194.322 1.779 10 0 ADAELP CC(C)([NH3+])[C@@H]([NH3+])c1cccc(F)c1 259566214 573761253 /nfs/dbraw/zinc/76/12/53/573761253.db2.gz YGPDZXHUYFFXJQ-VIFPVBQESA-N 2 2 182.242 1.563 10 0 ADAELP CC(C)c1[nH]c2c([nH+]1)CCC[C@@H]2[NH3+] 76090662 573761256 /nfs/dbraw/zinc/76/12/56/573761256.db2.gz AZHWOLWKFUZDIC-ZETCQYMHSA-N 2 2 179.267 1.869 10 0 ADAELP CC(C)C(=[NH2+])NCc1c[nH+]c[nH]1 84081538 573761285 /nfs/dbraw/zinc/76/12/85/573761285.db2.gz FRSXZWKTYSWVDC-UHFFFAOYSA-N 2 2 166.228 1.133 10 0 ADAELP CC(C)n1c[nH+]c2c1CCC[C@H]2C[NH3+] 76088179 573761487 /nfs/dbraw/zinc/76/14/87/573761487.db2.gz PMYYIDKGCORXJK-VIFPVBQESA-N 2 2 193.294 1.843 10 0 ADAELP C[N@@H+]1CCCC[C@H]1c1coc(C[NH3+])n1 258121744 573761645 /nfs/dbraw/zinc/76/16/45/573761645.db2.gz PMSIYYBRUZDUBO-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP C[N@H+]1CCCC[C@H]1c1coc(C[NH3+])n1 258121744 573761653 /nfs/dbraw/zinc/76/16/53/573761653.db2.gz PMSIYYBRUZDUBO-VIFPVBQESA-N 2 2 195.266 1.290 10 0 ADAELP CC(C)n1c[nH+]c2c1CC[C@H]([NH3+])C2 76088102 573761694 /nfs/dbraw/zinc/76/16/94/573761694.db2.gz QIHAQYPKOTUPIM-QMMMGPOBSA-N 2 2 179.267 1.280 10 0 ADAELP C[C@H]1C[N@@H+]([C@H]2CC=CCC2)CCC[NH2+]1 84080693 573761984 /nfs/dbraw/zinc/76/19/84/573761984.db2.gz RIWOEFSLJNHVRR-RYUDHWBXSA-N 2 2 194.322 1.779 10 0 ADAELP C[C@H]1C[N@H+]([C@H]2CC=CCC2)CCC[NH2+]1 84080693 573761989 /nfs/dbraw/zinc/76/19/89/573761989.db2.gz RIWOEFSLJNHVRR-RYUDHWBXSA-N 2 2 194.322 1.779 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(C)ccc1OC 258919155 573762421 /nfs/dbraw/zinc/76/24/21/573762421.db2.gz WJGRWAOGFRVJIT-JTQLQIEISA-N 2 2 194.278 1.223 10 0 ADAELP CC(C)c1[nH]c2c([nH+]1)CCC[C@H]2[NH3+] 76090660 573762724 /nfs/dbraw/zinc/76/27/24/573762724.db2.gz AZHWOLWKFUZDIC-SSDOTTSWSA-N 2 2 179.267 1.869 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC=CCC2)C1 84066870 573762780 /nfs/dbraw/zinc/76/27/80/573762780.db2.gz HDSDTGBDUSGHAQ-WDEREUQCSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC=CCC2)C1 84066870 573762788 /nfs/dbraw/zinc/76/27/88/573762788.db2.gz HDSDTGBDUSGHAQ-WDEREUQCSA-N 2 2 180.295 1.389 10 0 ADAELP Cc1[nH]c2c([nH+]1)[C@@H]([C@H](C)[NH3+])CCC2 76089352 573762937 /nfs/dbraw/zinc/76/29/37/573762937.db2.gz RKQPQMYKDODJBV-POYBYMJQSA-N 2 2 179.267 1.485 10 0 ADAELP CC(C)n1c[nH+]c2c1[C@@H](C[NH3+])CCC2 76088194 573762962 /nfs/dbraw/zinc/76/29/62/573762962.db2.gz YIOIRFPVWLUXFJ-SECBINFHSA-N 2 2 193.294 1.843 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCCc2c1[nH+]cn2C 76087600 573762988 /nfs/dbraw/zinc/76/29/88/573762988.db2.gz KEVXUAWHONFCFO-YUMQZZPRSA-N 2 2 179.267 1.187 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(C)ccc1OC 258919156 573763254 /nfs/dbraw/zinc/76/32/54/573763254.db2.gz WJGRWAOGFRVJIT-SNVBAGLBSA-N 2 2 194.278 1.223 10 0 ADAELP c1cc(NCc2c[nH+]c[nH]2)cc[nH+]1 84081311 573763341 /nfs/dbraw/zinc/76/33/41/573763341.db2.gz SDSOWXYKHFBLQH-UHFFFAOYSA-N 2 2 174.207 1.417 10 0 ADAELP c1cc(NCc2c[nH]c[nH+]2)cc[nH+]1 84081311 573763347 /nfs/dbraw/zinc/76/33/47/573763347.db2.gz SDSOWXYKHFBLQH-UHFFFAOYSA-N 2 2 174.207 1.417 10 0 ADAELP CC(C)Cc1[nH]c(CC2C[NH2+]C2)c[nH+]1 257870304 573763463 /nfs/dbraw/zinc/76/34/63/573763463.db2.gz SWKGBAICCWZQDC-UHFFFAOYSA-N 2 2 193.294 1.370 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)C1 84066868 573764400 /nfs/dbraw/zinc/76/44/00/573764400.db2.gz HDSDTGBDUSGHAQ-QWRGUYRKSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+][C@H]2CC=CCC2)C1 84066868 573764404 /nfs/dbraw/zinc/76/44/04/573764404.db2.gz HDSDTGBDUSGHAQ-QWRGUYRKSA-N 2 2 180.295 1.389 10 0 ADAELP CCC[N@@H+]1CCC[C@H]([NH3+])C1(C)C 258931059 573764432 /nfs/dbraw/zinc/76/44/32/573764432.db2.gz XHVNQAPVGRPMJR-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@H+]1CCC[C@H]([NH3+])C1(C)C 258931059 573764440 /nfs/dbraw/zinc/76/44/40/573764440.db2.gz XHVNQAPVGRPMJR-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1c1coc(C[NH3+])n1 258121740 573764512 /nfs/dbraw/zinc/76/45/12/573764512.db2.gz PMSIYYBRUZDUBO-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP C[N@H+]1CCCC[C@@H]1c1coc(C[NH3+])n1 258121740 573764517 /nfs/dbraw/zinc/76/45/17/573764517.db2.gz PMSIYYBRUZDUBO-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP CCC[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 258931056 573764519 /nfs/dbraw/zinc/76/45/19/573764519.db2.gz XHVNQAPVGRPMJR-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@H+]1CCC[C@@H]([NH3+])C1(C)C 258931056 573764526 /nfs/dbraw/zinc/76/45/26/573764526.db2.gz XHVNQAPVGRPMJR-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP Cc1c[nH+]ccc1NCc1c[nH+]c[nH]1 84081268 573764743 /nfs/dbraw/zinc/76/47/43/573764743.db2.gz DJVQSQXCKGQNJE-UHFFFAOYSA-N 2 2 188.234 1.725 10 0 ADAELP Cc1c[nH+]ccc1NCc1c[nH]c[nH+]1 84081268 573764747 /nfs/dbraw/zinc/76/47/47/573764747.db2.gz DJVQSQXCKGQNJE-UHFFFAOYSA-N 2 2 188.234 1.725 10 0 ADAELP Cc1[nH]c2c([nH+]1)CCC[C@H]2[NH+](C)C 76089163 573764875 /nfs/dbraw/zinc/76/48/75/573764875.db2.gz DKOIYPGMBUFCDC-SECBINFHSA-N 2 2 179.267 1.657 10 0 ADAELP C[C@@H]([NH3+])Cc1[nH+]ccn1CC(F)F 131001877 573765081 /nfs/dbraw/zinc/76/50/81/573765081.db2.gz FULMMTUGLDHNJA-ZCFIWIBFSA-N 2 2 189.209 1.038 10 0 ADAELP CC(C)n1c[nH+]c2c1CCC[C@@H]2C[NH3+] 76088176 573765437 /nfs/dbraw/zinc/76/54/37/573765437.db2.gz PMYYIDKGCORXJK-SECBINFHSA-N 2 2 193.294 1.843 10 0 ADAELP CC[NH2+]CC[NH2+]CCc1ccc(C)o1 258928288 573766869 /nfs/dbraw/zinc/76/68/69/573766869.db2.gz PBMIJFMHATZTQO-UHFFFAOYSA-N 2 2 196.294 1.330 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCCc2[nH+]cn(C)c21 76087717 573765661 /nfs/dbraw/zinc/76/56/61/573765661.db2.gz WVSHMTVSCZGMPI-YUMQZZPRSA-N 2 2 179.267 1.187 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1cccnc1 259566467 573765748 /nfs/dbraw/zinc/76/57/48/573765748.db2.gz YIDJKQWGMGGHSY-VIFPVBQESA-N 2 2 179.267 1.079 10 0 ADAELP C1=CC[C@@H]([N@@H+]2CCC[NH2+]CC2)CC1 84080715 573765796 /nfs/dbraw/zinc/76/57/96/573765796.db2.gz VXFGGHBBWVRENI-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP C1=CC[C@@H]([N@H+]2CCC[NH2+]CC2)CC1 84080715 573765801 /nfs/dbraw/zinc/76/58/01/573765801.db2.gz VXFGGHBBWVRENI-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP CC(C)(C)C(=[NH2+])NCc1c[nH+]c[nH]1 84081541 573766081 /nfs/dbraw/zinc/76/60/81/573766081.db2.gz IMFHOTBAYALBKO-UHFFFAOYSA-N 2 2 180.255 1.523 10 0 ADAELP C[C@H](C[NH3+])CCN(C)c1cccc[nH+]1 258928333 573766271 /nfs/dbraw/zinc/76/62/71/573766271.db2.gz PBYYCWATAGAMAT-JTQLQIEISA-N 2 2 193.294 1.503 10 0 ADAELP Cc1cc([C@@H]2CCC[C@@H]2[NH3+])cc[nH+]1 238508930 573766627 /nfs/dbraw/zinc/76/66/27/573766627.db2.gz QTSYDMIQFAADAD-QWRGUYRKSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1ccc(N2CCC[C@H]2C[NH3+])c[nH+]1 238509708 573766787 /nfs/dbraw/zinc/76/67/87/573766787.db2.gz XRRDMAKMSPHRFG-JTQLQIEISA-N 2 2 191.278 1.318 10 0 ADAELP Cc1ccccc1[C@H]1C[C@H]([NH3+])C[N@H+]1C 108340646 573769241 /nfs/dbraw/zinc/76/92/41/573769241.db2.gz OUPXEQNFEBYFHC-CMPLNLGQSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@H]1C[C@H]([NH3+])C[N@@H+]1C 108340646 573769245 /nfs/dbraw/zinc/76/92/45/573769245.db2.gz OUPXEQNFEBYFHC-CMPLNLGQSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@H]1C[C@@H]([NH3+])C[N@H+]1C 108340650 573769270 /nfs/dbraw/zinc/76/92/70/573769270.db2.gz OUPXEQNFEBYFHC-ZYHUDNBSSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@H]1C[C@@H]([NH3+])C[N@@H+]1C 108340650 573769274 /nfs/dbraw/zinc/76/92/74/573769274.db2.gz OUPXEQNFEBYFHC-ZYHUDNBSSA-N 2 2 190.290 1.699 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 127077563 573768758 /nfs/dbraw/zinc/76/87/58/573768758.db2.gz MHLVHKLJGPJDMV-RKDXNWHRSA-N 2 2 188.340 1.080 10 0 ADAELP C[NH+](C)CCn1c[nH+]c2c1CCCC2 76093935 573769067 /nfs/dbraw/zinc/76/90/67/573769067.db2.gz BHPJFFZTRCLRFB-UHFFFAOYSA-N 2 2 193.294 1.324 10 0 ADAELP Cc1ccccc1CC[NH2+]C[NH3+] 258933934 573769109 /nfs/dbraw/zinc/76/91/09/573769109.db2.gz SCJTZLCVHLIZGO-UHFFFAOYSA-N 2 2 164.252 1.043 10 0 ADAELP CC[NH+](CC)CC(=O)[C@H]1CCCC[NH2+]1 259177383 573769145 /nfs/dbraw/zinc/76/91/45/573769145.db2.gz IDPDFBNOJRAUJZ-SNVBAGLBSA-N 2 2 198.310 1.039 10 0 ADAELP Cc1occc1C[N@H+](C)[C@H](C)[C@H](C)[NH3+] 308712370 573770113 /nfs/dbraw/zinc/77/01/13/573770113.db2.gz ZMCXEXVCUFUMJN-DTWKUNHWSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1cc([C@@H]2CCC[C@H]2[NH3+])cc[nH+]1 238509299 573770151 /nfs/dbraw/zinc/77/01/51/573770151.db2.gz QTSYDMIQFAADAD-WDEREUQCSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1occc1C[N@@H+](C)[C@H](C)[C@H](C)[NH3+] 308712370 573770106 /nfs/dbraw/zinc/77/01/06/573770106.db2.gz ZMCXEXVCUFUMJN-DTWKUNHWSA-N 2 2 196.294 1.756 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 127078021 573771116 /nfs/dbraw/zinc/77/11/16/573771116.db2.gz MHLVHKLJGPJDMV-BDAKNGLRSA-N 2 2 188.340 1.080 10 0 ADAELP Cc1cc([C@@H]2CCC[C@@H]2[NH3+])c[nH+]c1N 238508954 573771155 /nfs/dbraw/zinc/77/11/55/573771155.db2.gz KYWLWZLAMUKKQG-UWVGGRQHSA-N 2 2 191.278 1.567 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1C[C@@H]1CCC[NH2+]1 257874456 573771347 /nfs/dbraw/zinc/77/13/47/573771347.db2.gz UGZVDYGPGGFCEX-VIFPVBQESA-N 2 2 191.278 1.582 10 0 ADAELP c1[nH+]c(C2CC2)[nH]c1C[C@@H]1CCC[NH2+]1 257874456 573771349 /nfs/dbraw/zinc/77/13/49/573771349.db2.gz UGZVDYGPGGFCEX-VIFPVBQESA-N 2 2 191.278 1.582 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1C[C@H]1CCC[NH2+]1 257874454 573771496 /nfs/dbraw/zinc/77/14/96/573771496.db2.gz UGZVDYGPGGFCEX-SECBINFHSA-N 2 2 191.278 1.582 10 0 ADAELP c1[nH+]c(C2CC2)[nH]c1C[C@H]1CCC[NH2+]1 257874454 573771500 /nfs/dbraw/zinc/77/15/00/573771500.db2.gz UGZVDYGPGGFCEX-SECBINFHSA-N 2 2 191.278 1.582 10 0 ADAELP C1CCC2(CC1)C[NH2+]C[C@H]1CCC[N@H+]12 238101381 573771720 /nfs/dbraw/zinc/77/17/20/573771720.db2.gz KHMZHOVKKDTORF-LLVKDONJSA-N 2 2 194.322 1.757 10 0 ADAELP C1CCC2(CC1)C[NH2+]C[C@H]1CCC[N@@H+]12 238101381 573771726 /nfs/dbraw/zinc/77/17/26/573771726.db2.gz KHMZHOVKKDTORF-LLVKDONJSA-N 2 2 194.322 1.757 10 0 ADAELP C[NH2+][C@H](c1ccccc1F)C1([NH3+])CC1 259179185 573772088 /nfs/dbraw/zinc/77/20/88/573772088.db2.gz JQUIRNMMFYQHMY-SNVBAGLBSA-N 2 2 194.253 1.578 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1ccccc1C 259180080 573772302 /nfs/dbraw/zinc/77/23/02/573772302.db2.gz FGJFQHPVCVKRDK-LLVKDONJSA-N 2 2 192.306 1.993 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CC(C)(C)C1(C)C 690229467 573775743 /nfs/dbraw/zinc/77/57/43/573775743.db2.gz XCIWBFQATFQCEA-SECBINFHSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CC(C)(C)C1(C)C 690229467 573775746 /nfs/dbraw/zinc/77/57/46/573775746.db2.gz XCIWBFQATFQCEA-SECBINFHSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H](C[NH3+])c1[nH+]c2c(n1C)CCCC2 76121772 573777100 /nfs/dbraw/zinc/77/71/00/573777100.db2.gz JYGBVFGJXAEPGK-MRVPVSSYSA-N 2 2 193.294 1.361 10 0 ADAELP CC(C)[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 84126092 573777458 /nfs/dbraw/zinc/77/74/58/573777458.db2.gz RXYUZJGOUXZXHW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 84126092 573777463 /nfs/dbraw/zinc/77/74/63/573777463.db2.gz RXYUZJGOUXZXHW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](C[NH3+])c1[nH]c2c([nH+]1)CCCC2 76121768 573777682 /nfs/dbraw/zinc/77/76/82/573777682.db2.gz JNGDDZRUMJCVIK-SSDOTTSWSA-N 2 2 179.267 1.351 10 0 ADAELP Cc1[nH]c(C(C)C)[nH+]c1[C@H]1CC[NH2+]C1 257875519 573777800 /nfs/dbraw/zinc/77/78/00/573777800.db2.gz UMHDTXXEZOGDLG-VIFPVBQESA-N 2 2 193.294 1.918 10 0 ADAELP C[NH2+][C@@H](c1ccccc1F)[C@H](C)[NH3+] 259569961 573778098 /nfs/dbraw/zinc/77/80/98/573778098.db2.gz VNHOQQAGZFLSAJ-OIBJUYFYSA-N 2 2 182.242 1.433 10 0 ADAELP C[NH2+][C@H](c1ccccc1F)[C@@H](C)[NH3+] 259569964 573779293 /nfs/dbraw/zinc/77/92/93/573779293.db2.gz VNHOQQAGZFLSAJ-XCBNKYQSSA-N 2 2 182.242 1.433 10 0 ADAELP Cc1[nH]c(C(C)C)[nH+]c1[C@@H]1CC[NH2+]C1 257875515 573779393 /nfs/dbraw/zinc/77/93/93/573779393.db2.gz UMHDTXXEZOGDLG-SECBINFHSA-N 2 2 193.294 1.918 10 0 ADAELP C[NH2+][C@H](c1ccccc1F)[C@H](C)[NH3+] 259569967 573779973 /nfs/dbraw/zinc/77/99/73/573779973.db2.gz VNHOQQAGZFLSAJ-XVKPBYJWSA-N 2 2 182.242 1.433 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1cc(C)ccc1OC 259570114 573780160 /nfs/dbraw/zinc/78/01/60/573780160.db2.gz YODUTYXJTPEUOB-SNVBAGLBSA-N 2 2 194.278 1.223 10 0 ADAELP C[NH2+][C@@H](c1ccccc1F)[C@@H](C)[NH3+] 259569958 573780461 /nfs/dbraw/zinc/78/04/61/573780461.db2.gz VNHOQQAGZFLSAJ-GMSGAONNSA-N 2 2 182.242 1.433 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1cc(C)ccc1OC 259570109 573780602 /nfs/dbraw/zinc/78/06/02/573780602.db2.gz YODUTYXJTPEUOB-JTQLQIEISA-N 2 2 194.278 1.223 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1cc(C)ccc1C 259569847 573780689 /nfs/dbraw/zinc/78/06/89/573780689.db2.gz YLOUNBJENZLMKY-LLVKDONJSA-N 2 2 178.279 1.523 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2C[C@H]2C2CC2)c[nH+]1 308737907 573785278 /nfs/dbraw/zinc/78/52/78/573785278.db2.gz MPBKBCLCEZADQW-WDEREUQCSA-N 2 2 191.278 1.606 10 0 ADAELP Cc1ccc([C@@H]2CC[NH2+]C[C@H]2F)c[nH+]1 238517756 573788010 /nfs/dbraw/zinc/78/80/10/573788010.db2.gz QGCRSPZMOQMAFG-WDEREUQCSA-N 2 2 194.253 1.805 10 0 ADAELP CCc1ccc([C@](C)([NH3+])C[NH3+])cc1 259185910 573788216 /nfs/dbraw/zinc/78/82/16/573788216.db2.gz XNJFVVJURIFAGS-LLVKDONJSA-N 2 2 178.279 1.382 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccc(F)cc1 258944096 573789590 /nfs/dbraw/zinc/78/95/90/573789590.db2.gz UAQKJYCTAAUTEA-UHFFFAOYSA-N 2 2 182.242 1.135 10 0 ADAELP Cc1nc2cc([C@H]([NH3+])C[NH3+])ccc2o1 259186006 573788562 /nfs/dbraw/zinc/78/85/62/573788562.db2.gz XONZTILMRYRZOL-MRVPVSSYSA-N 2 2 191.234 1.095 10 0 ADAELP CCC[N@H+](CC(C)(C)[NH3+])C(C)C 40925877 573788880 /nfs/dbraw/zinc/78/88/80/573788880.db2.gz CKXBXVFDUZSAJJ-UHFFFAOYSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@@H+](CC(C)(C)[NH3+])C(C)C 40925877 573788884 /nfs/dbraw/zinc/78/88/84/573788884.db2.gz CKXBXVFDUZSAJJ-UHFFFAOYSA-N 2 2 172.316 1.844 10 0 ADAELP C[N@H+](Cc1ccco1)CC(C)(C)[NH3+] 40925924 573788987 /nfs/dbraw/zinc/78/89/87/573788987.db2.gz CIPYSLLCAZHWOU-UHFFFAOYSA-N 2 2 182.267 1.449 10 0 ADAELP C[N@@H+](Cc1ccco1)CC(C)(C)[NH3+] 40925924 573788992 /nfs/dbraw/zinc/78/89/92/573788992.db2.gz CIPYSLLCAZHWOU-UHFFFAOYSA-N 2 2 182.267 1.449 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+]CCC(C)(F)F 393590322 573789157 /nfs/dbraw/zinc/78/91/57/573789157.db2.gz IAYGYWYJXIYTAE-ZETCQYMHSA-N 2 2 180.242 1.229 10 0 ADAELP C[NH2+][C@H](C)C[C@H](C)c1cn(C)c[nH+]1 393590278 573789259 /nfs/dbraw/zinc/78/92/59/573789259.db2.gz MVGVMIOTGHQNKV-DTWKUNHWSA-N 2 2 181.283 1.522 10 0 ADAELP C[NH2+][C@H](C)/C=C\c1c[nH+]cn1C1CC1 308433810 573789789 /nfs/dbraw/zinc/78/97/89/573789789.db2.gz HIVMEOWCLLCDSL-ZBJFTSOASA-N 2 2 191.278 1.839 10 0 ADAELP C[NH2+]C[NH2+]CC(C)(C)c1ccc(C)o1 258944014 573789851 /nfs/dbraw/zinc/78/98/51/573789851.db2.gz QPRREIXXIFFVAX-UHFFFAOYSA-N 2 2 196.294 1.632 10 0 ADAELP Cc1[nH]c(C[C@@H]2CCC[NH2+]C2)c[nH+]1 238517515 573790312 /nfs/dbraw/zinc/79/03/12/573790312.db2.gz BFSQGNFAHYHLIL-VIFPVBQESA-N 2 2 179.267 1.260 10 0 ADAELP Cc1ccc([C@@H]2CC[NH2+]C[C@@H]2F)c[nH+]1 238517264 573791283 /nfs/dbraw/zinc/79/12/83/573791283.db2.gz QGCRSPZMOQMAFG-QWRGUYRKSA-N 2 2 194.253 1.805 10 0 ADAELP C[NH2+][C@@H](C)C[C@@H](C)c1cn(C)c[nH+]1 393590275 573791445 /nfs/dbraw/zinc/79/14/45/573791445.db2.gz MVGVMIOTGHQNKV-BDAKNGLRSA-N 2 2 181.283 1.522 10 0 ADAELP CC1(C)C[C@H]([NH2+]Cc2ccc[nH]2)C[NH2+]1 258949054 573791554 /nfs/dbraw/zinc/79/15/54/573791554.db2.gz ZEIKOEKWPOPBNR-JTQLQIEISA-N 2 2 193.294 1.245 10 0 ADAELP C[NH2+][C@@H](C)/C=C\c1c[nH+]cn1C1CC1 308433808 573791557 /nfs/dbraw/zinc/79/15/57/573791557.db2.gz HIVMEOWCLLCDSL-TYRPZCRBSA-N 2 2 191.278 1.839 10 0 ADAELP C[NH2+][C@H](C)C[C@@H](C)c1cn(C)c[nH+]1 393590282 573791566 /nfs/dbraw/zinc/79/15/66/573791566.db2.gz MVGVMIOTGHQNKV-RKDXNWHRSA-N 2 2 181.283 1.522 10 0 ADAELP C[NH2+]C[NH2+]CC(C)(C)C(C)C 258949251 573793233 /nfs/dbraw/zinc/79/32/33/573793233.db2.gz UOYHTFZGFRQOHH-UHFFFAOYSA-N 2 2 158.289 1.435 10 0 ADAELP C[NH2+][C@@H](c1ccncc1)C(C)(C)[NH3+] 259190938 573796532 /nfs/dbraw/zinc/79/65/32/573796532.db2.gz DBNJCKIIMSIWCP-VIFPVBQESA-N 2 2 179.267 1.079 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC23CC3)C1 715356803 573796629 /nfs/dbraw/zinc/79/66/29/573796629.db2.gz QZSCUQLZKBOLNE-MNOVXSKESA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC23CC3)C1 715356803 573796632 /nfs/dbraw/zinc/79/66/32/573796632.db2.gz QZSCUQLZKBOLNE-MNOVXSKESA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)C1 715356807 573798115 /nfs/dbraw/zinc/79/81/15/573798115.db2.gz QZSCUQLZKBOLNE-QWRGUYRKSA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC23CC3)C1 715356807 573798119 /nfs/dbraw/zinc/79/81/19/573798119.db2.gz QZSCUQLZKBOLNE-QWRGUYRKSA-N 2 2 194.322 1.611 10 0 ADAELP C[N@H+](Cc1ccc[nH]1)[C@@H]1CCC[C@@H]1[NH3+] 258950425 573797042 /nfs/dbraw/zinc/79/70/42/573797042.db2.gz KKVZIJBTQVKBTD-WDEREUQCSA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1ccc[nH]1)[C@@H]1CCC[C@@H]1[NH3+] 258950425 573797046 /nfs/dbraw/zinc/79/70/46/573797046.db2.gz KKVZIJBTQVKBTD-WDEREUQCSA-N 2 2 193.294 1.326 10 0 ADAELP C[N@H+](Cc1ccc[nH]1)[C@H]1CCC[C@H]1[NH3+] 258950420 573797383 /nfs/dbraw/zinc/79/73/83/573797383.db2.gz KKVZIJBTQVKBTD-MNOVXSKESA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1ccc[nH]1)[C@H]1CCC[C@H]1[NH3+] 258950420 573797388 /nfs/dbraw/zinc/79/73/88/573797388.db2.gz KKVZIJBTQVKBTD-MNOVXSKESA-N 2 2 193.294 1.326 10 0 ADAELP C[N@H+](Cc1ccc[nH]1)[C@H]1CCC[C@@H]1[NH3+] 258950422 573797602 /nfs/dbraw/zinc/79/76/02/573797602.db2.gz KKVZIJBTQVKBTD-QWRGUYRKSA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1ccc[nH]1)[C@H]1CCC[C@@H]1[NH3+] 258950422 573797607 /nfs/dbraw/zinc/79/76/07/573797607.db2.gz KKVZIJBTQVKBTD-QWRGUYRKSA-N 2 2 193.294 1.326 10 0 ADAELP C[NH2+]CCc1cc([NH+](C)C)ccc1O 258130859 573797726 /nfs/dbraw/zinc/79/77/26/573797726.db2.gz RKCPEDFMEHAWJO-UHFFFAOYSA-N 2 2 194.278 1.220 10 0 ADAELP Cc1[nH]cc(CC[NH+]2CCCC2)[nH+]1 238514031 573798062 /nfs/dbraw/zinc/79/80/62/573798062.db2.gz ZNQYDCBYOLVTLR-UHFFFAOYSA-N 2 2 179.267 1.356 10 0 ADAELP Cc1[nH]c(CC[NH+]2CCCC2)c[nH+]1 238514031 573798066 /nfs/dbraw/zinc/79/80/66/573798066.db2.gz ZNQYDCBYOLVTLR-UHFFFAOYSA-N 2 2 179.267 1.356 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1cccc(O)c1 257878441 573798232 /nfs/dbraw/zinc/79/82/32/573798232.db2.gz VBHZNZFZTWGTDC-LLVKDONJSA-N 2 2 192.262 1.144 10 0 ADAELP C[N@H+](Cc1ccc[nH]1)[C@@H]1CCC[C@H]1[NH3+] 258950418 573798302 /nfs/dbraw/zinc/79/83/02/573798302.db2.gz KKVZIJBTQVKBTD-GHMZBOCLSA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1ccc[nH]1)[C@@H]1CCC[C@H]1[NH3+] 258950418 573798308 /nfs/dbraw/zinc/79/83/08/573798308.db2.gz KKVZIJBTQVKBTD-GHMZBOCLSA-N 2 2 193.294 1.326 10 0 ADAELP Cc1ccc(C[N@H+]2C[C@H](C)[C@@H]([NH3+])C2)o1 235649820 573798491 /nfs/dbraw/zinc/79/84/91/573798491.db2.gz NWBHUTFXXNKYAG-KWQFWETISA-N 2 2 194.278 1.367 10 0 ADAELP Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H]([NH3+])C2)o1 235649820 573798497 /nfs/dbraw/zinc/79/84/97/573798497.db2.gz NWBHUTFXXNKYAG-KWQFWETISA-N 2 2 194.278 1.367 10 0 ADAELP Cc1coc([C@@H]([NH3+])CC[NH+](C)C)c1 716187397 573798647 /nfs/dbraw/zinc/79/86/47/573798647.db2.gz FYLGIHXVMLDDSS-VIFPVBQESA-N 2 2 182.267 1.540 10 0 ADAELP CCCC[N@@H+]1C[C@H]([NH3+])CCC1(C)C 258949880 573800492 /nfs/dbraw/zinc/80/04/92/573800492.db2.gz YUBWNNZRNLJCBZ-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@H+]1C[C@H]([NH3+])CCC1(C)C 258949880 573800494 /nfs/dbraw/zinc/80/04/94/573800494.db2.gz YUBWNNZRNLJCBZ-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP Cc1ccc(C)c(NC[C@H]([NH3+])C[NH3+])c1 258953009 573801615 /nfs/dbraw/zinc/80/16/15/573801615.db2.gz LUSPNQXBMSTQFB-SNVBAGLBSA-N 2 2 193.294 1.001 10 0 ADAELP C[N@H+](CCC1CCC1)[C@@H]1CCC[C@@H]1[NH3+] 258953232 573801917 /nfs/dbraw/zinc/80/19/17/573801917.db2.gz KPEOOEGEROBRLW-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CCC1CCC1)[C@@H]1CCC[C@@H]1[NH3+] 258953232 573801921 /nfs/dbraw/zinc/80/19/21/573801921.db2.gz KPEOOEGEROBRLW-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@@H](c1ccccc1F)C1C[NH2+]C1 259193241 573801930 /nfs/dbraw/zinc/80/19/30/573801930.db2.gz FAYJDSHPEYLKTR-LLVKDONJSA-N 2 2 194.253 1.306 10 0 ADAELP C[C@H]1C[C@]1(C)C[NH2+]CC1([NH+](C)C)CC1 714747132 573805685 /nfs/dbraw/zinc/80/56/85/573805685.db2.gz SJCZJRNPBGLMRD-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C2(C[NH3+])CCC2)o1 259196120 573808454 /nfs/dbraw/zinc/80/84/54/573808454.db2.gz DFYXNAZVSKELSF-SNVBAGLBSA-N 2 2 194.278 1.717 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(OC)c(F)c1 259196292 573808649 /nfs/dbraw/zinc/80/86/49/573808649.db2.gz FXILXJMZIOXAFX-SECBINFHSA-N 2 2 198.241 1.054 10 0 ADAELP Cc1cc(C)cc(NC[C@H]([NH3+])C[NH3+])c1 258955775 573808705 /nfs/dbraw/zinc/80/87/05/573808705.db2.gz MCEDDZCZVBWIBV-SNVBAGLBSA-N 2 2 193.294 1.001 10 0 ADAELP Cc1ccc(C)c([C@](C)([NH3+])C[NH3+])c1 259194657 573808809 /nfs/dbraw/zinc/80/88/09/573808809.db2.gz YIBYXJMZZJLZDK-LLVKDONJSA-N 2 2 178.279 1.436 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@@H]1CCC1(C)C 393551432 573811028 /nfs/dbraw/zinc/81/10/28/573811028.db2.gz RTQJPHPWCGANCO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@@H]1CCC1(C)C 393551432 573811034 /nfs/dbraw/zinc/81/10/34/573811034.db2.gz RTQJPHPWCGANCO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1cc(C[C@@H]2CCC[NH2+]C2)cc[nH+]1 238529467 573811572 /nfs/dbraw/zinc/81/15/72/573811572.db2.gz AWIHMLFCQUUTKQ-LBPRGKRZSA-N 2 2 190.290 1.932 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(C)c(C)c1C 259199137 573812777 /nfs/dbraw/zinc/81/27/77/573812777.db2.gz YQJWYFIVYGCIJX-GFCCVEGCSA-N 2 2 192.306 1.831 10 0 ADAELP CCC(CC)[N@@H+]1CC[NH2+]CC[C@H]1C 87175678 573812994 /nfs/dbraw/zinc/81/29/94/573812994.db2.gz BAKGQBGJHYHMEQ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[N@H+]1CC[NH2+]CC[C@H]1C 87175678 573812999 /nfs/dbraw/zinc/81/29/99/573812999.db2.gz BAKGQBGJHYHMEQ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 41047013 573813088 /nfs/dbraw/zinc/81/30/88/573813088.db2.gz VJUBWEMDENGUMT-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1cc(F)ccc1F 259199188 573813225 /nfs/dbraw/zinc/81/32/25/573813225.db2.gz FZOROWDZNCZISF-SECBINFHSA-N 2 2 186.205 1.184 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 41047014 573813258 /nfs/dbraw/zinc/81/32/58/573813258.db2.gz VJUBWEMDENGUMT-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP Cc1[nH+]c([C@H]2CCSC2)[nH]c1C[NH3+] 258139863 573813505 /nfs/dbraw/zinc/81/35/05/573813505.db2.gz QYHPCAMQLWQUGZ-ZETCQYMHSA-N 2 2 197.307 1.397 10 0 ADAELP Cc1ccccc1[C@@H]([NH3+])C1([NH3+])CC1 259622261 573813574 /nfs/dbraw/zinc/81/35/74/573813574.db2.gz XZJMGWLMGRPRJR-SNVBAGLBSA-N 2 2 176.263 1.486 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1cc(F)ccc1F 259199189 573815210 /nfs/dbraw/zinc/81/52/10/573815210.db2.gz FZOROWDZNCZISF-VIFPVBQESA-N 2 2 186.205 1.184 10 0 ADAELP Cc1[nH+]c([C@@H]2CCSC2)[nH]c1C[NH3+] 258139861 573815469 /nfs/dbraw/zinc/81/54/69/573815469.db2.gz QYHPCAMQLWQUGZ-SSDOTTSWSA-N 2 2 197.307 1.397 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(C)c(C)c1C 259199140 573815978 /nfs/dbraw/zinc/81/59/78/573815978.db2.gz YQJWYFIVYGCIJX-LBPRGKRZSA-N 2 2 192.306 1.831 10 0 ADAELP CCC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 642820386 573815985 /nfs/dbraw/zinc/81/59/85/573815985.db2.gz BAVCUNTXPZYIIL-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP C[N@H+](CC(N)=[NH2+])C1CCCCC1 100673187 573816452 /nfs/dbraw/zinc/81/64/52/573816452.db2.gz CTDHBROPDAKIPJ-UHFFFAOYSA-N 2 2 169.272 1.187 10 0 ADAELP C[N@@H+](CC(N)=[NH2+])C1CCCCC1 100673187 573816458 /nfs/dbraw/zinc/81/64/58/573816458.db2.gz CTDHBROPDAKIPJ-UHFFFAOYSA-N 2 2 169.272 1.187 10 0 ADAELP [NH3+][C@H]1CCn2cc(C3CCC3)[nH+]c2C1 258146301 573817345 /nfs/dbraw/zinc/81/73/45/573817345.db2.gz DFJNSQGVNQMINH-VIFPVBQESA-N 2 2 191.278 1.424 10 0 ADAELP CC(C)(C)c1[nH]cc(C2C[NH2+]C2)[nH+]1 257880028 573816511 /nfs/dbraw/zinc/81/65/11/573816511.db2.gz LUPAJORXSLDDHT-UHFFFAOYSA-N 2 2 179.267 1.394 10 0 ADAELP CSC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 127376320 573817161 /nfs/dbraw/zinc/81/71/61/573817161.db2.gz WUNDXPIOYPNFAS-IUCAKERBSA-N 2 2 188.340 1.080 10 0 ADAELP c1c[nH+]c(CC[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)[nH]1 308446725 573817673 /nfs/dbraw/zinc/81/76/73/573817673.db2.gz AWNRLPHOKUQHMA-KXUCPTDWSA-N 2 2 191.278 1.340 10 0 ADAELP CSC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 127375889 573817902 /nfs/dbraw/zinc/81/79/02/573817902.db2.gz WUNDXPIOYPNFAS-DTWKUNHWSA-N 2 2 188.340 1.080 10 0 ADAELP CC(C)(C)c1[nH]cc([C@H]2CC[NH2+]C2)[nH+]1 257885401 573818016 /nfs/dbraw/zinc/81/80/16/573818016.db2.gz WFICTTSZHKHBGM-QMMMGPOBSA-N 2 2 193.294 1.784 10 0 ADAELP Cn1cc(C[NH2+]C2CCCC2)[nH+]c1N 258146927 573818276 /nfs/dbraw/zinc/81/82/76/573818276.db2.gz LDKPHWNXIDKSAQ-UHFFFAOYSA-N 2 2 194.282 1.035 10 0 ADAELP [NH3+][C@@H]1CCn2cc(C3CCC3)[nH+]c2C1 258146300 573818394 /nfs/dbraw/zinc/81/83/94/573818394.db2.gz DFJNSQGVNQMINH-SECBINFHSA-N 2 2 191.278 1.424 10 0 ADAELP CC[NH2+]CC[N@@H+](C)C1CCC1 127321703 573819639 /nfs/dbraw/zinc/81/96/39/573819639.db2.gz QMSOWLPQWHDKRY-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP [NH3+]CC1(CNc2cccc[nH+]2)CC1 122772929 573819772 /nfs/dbraw/zinc/81/97/72/573819772.db2.gz UQJFRAWHTIERAI-UHFFFAOYSA-N 2 2 177.251 1.232 10 0 ADAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CC(C)(C)C 41051384 573819822 /nfs/dbraw/zinc/81/98/22/573819822.db2.gz UZGIQZALHAGQKG-SNVBAGLBSA-N 2 2 195.310 1.907 10 0 ADAELP CSCCCn1c(C[NH3+])c[nH+]c1C 131205240 573819915 /nfs/dbraw/zinc/81/99/15/573819915.db2.gz VTNDVMZGTWZJSY-UHFFFAOYSA-N 2 2 199.323 1.403 10 0 ADAELP Cc1cc([C@H]2CCC[C@@H]2[NH3+])cc[nH+]1 238523868 573820075 /nfs/dbraw/zinc/82/00/75/573820075.db2.gz QTSYDMIQFAADAD-MNOVXSKESA-N 2 2 176.263 1.985 10 0 ADAELP C[C@H]([NH2+]CCn1cc[nH+]c1)C1(C)CC1 41050950 573820278 /nfs/dbraw/zinc/82/02/78/573820278.db2.gz MGJRTOPIPBDQDB-JTQLQIEISA-N 2 2 193.294 1.661 10 0 ADAELP CSC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 127376117 573821740 /nfs/dbraw/zinc/82/17/40/573821740.db2.gz WUNDXPIOYPNFAS-RKDXNWHRSA-N 2 2 188.340 1.080 10 0 ADAELP Cc1cc([C@H]2CCC[C@H]2[NH3+])cc[nH+]1 238524157 573821453 /nfs/dbraw/zinc/82/14/53/573821453.db2.gz QTSYDMIQFAADAD-GHMZBOCLSA-N 2 2 176.263 1.985 10 0 ADAELP CCC(CC)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053844 573824307 /nfs/dbraw/zinc/82/43/07/573824307.db2.gz CNIWDQZVEZEDJI-BDAKNGLRSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@@H]([NH3+])CCc1cn(CC)c[nH+]1 308447611 573821790 /nfs/dbraw/zinc/82/17/90/573821790.db2.gz AARZONLEDFVGBQ-SNVBAGLBSA-N 2 2 195.310 1.963 10 0 ADAELP CC(C)(C)c1[nH]cc([C@@H]2CC[NH2+]C2)[nH+]1 257885400 573821975 /nfs/dbraw/zinc/82/19/75/573821975.db2.gz WFICTTSZHKHBGM-MRVPVSSYSA-N 2 2 193.294 1.784 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1cc(C)c(C)cc1C 259204147 573822097 /nfs/dbraw/zinc/82/20/97/573822097.db2.gz GFFBIDLHQIJQPI-LBPRGKRZSA-N 2 2 192.306 1.831 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])cc2c1CCC2 238523354 573822168 /nfs/dbraw/zinc/82/21/68/573822168.db2.gz WRPAVIJEYAZESZ-GFCCVEGCSA-N 2 2 190.290 1.442 10 0 ADAELP C[C@@H](C[NH3+])Cc1[nH]c(C2CCC2)c[nH+]1 259203313 573822351 /nfs/dbraw/zinc/82/23/51/573822351.db2.gz XSRLLINSZYPGEW-MRVPVSSYSA-N 2 2 193.294 1.815 10 0 ADAELP CCC(CC)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053844 573824311 /nfs/dbraw/zinc/82/43/11/573824311.db2.gz CNIWDQZVEZEDJI-BDAKNGLRSA-N 2 2 172.316 1.843 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)Cc1cccnc1 41053831 573824199 /nfs/dbraw/zinc/82/41/99/573824199.db2.gz NUIBLBMCFXKPIO-ZJUUUORDSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)Cc1cccnc1 41053831 573824204 /nfs/dbraw/zinc/82/42/04/573824204.db2.gz NUIBLBMCFXKPIO-ZJUUUORDSA-N 2 2 193.294 1.249 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053806 573825243 /nfs/dbraw/zinc/82/52/43/573825243.db2.gz QOKHWGHEMYMRLQ-HLTSFMKQSA-N 2 2 158.289 1.452 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053806 573825247 /nfs/dbraw/zinc/82/52/47/573825247.db2.gz QOKHWGHEMYMRLQ-HLTSFMKQSA-N 2 2 158.289 1.452 10 0 ADAELP CC[C@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053891 573826929 /nfs/dbraw/zinc/82/69/29/573826929.db2.gz ZCKGALFJSIJNHZ-UTLUCORTSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053891 573826935 /nfs/dbraw/zinc/82/69/35/573826935.db2.gz ZCKGALFJSIJNHZ-UTLUCORTSA-N 2 2 170.300 1.597 10 0 ADAELP Cc1sccc1[C@H](C[NH3+])[NH2+]C1CC1 393593023 573826943 /nfs/dbraw/zinc/82/69/43/573826943.db2.gz ZIUMIJFJHUAOPX-JTQLQIEISA-N 2 2 196.319 1.808 10 0 ADAELP CCC[NH+](CCC)[C@H](C)[C@H](C)[NH3+] 41053743 573827770 /nfs/dbraw/zinc/82/77/70/573827770.db2.gz LZDNHJVZWAWHCS-VHSXEESVSA-N 2 2 172.316 1.844 10 0 ADAELP C[NH2+][C@@H](c1ccncc1)[C@@H]1CCC[NH2+]1 259205163 573827836 /nfs/dbraw/zinc/82/78/36/573827836.db2.gz FOLMOPABBFXYFA-QWRGUYRKSA-N 2 2 191.278 1.094 10 0 ADAELP CCC[N@H+](CC[NH3+])Cc1ccncc1 41056665 573827906 /nfs/dbraw/zinc/82/79/06/573827906.db2.gz CAZRNARIROEUBJ-UHFFFAOYSA-N 2 2 193.294 1.252 10 0 ADAELP CCC[N@@H+](CC[NH3+])Cc1ccncc1 41056665 573827911 /nfs/dbraw/zinc/82/79/11/573827911.db2.gz CAZRNARIROEUBJ-UHFFFAOYSA-N 2 2 193.294 1.252 10 0 ADAELP C[C@H]1CCCc2c[nH+]c(C3C[NH2+]C3)n21 257884613 573827994 /nfs/dbraw/zinc/82/79/94/573827994.db2.gz WANMVXSFMIBJHA-QMMMGPOBSA-N 2 2 191.278 1.467 10 0 ADAELP CC[C@@H](C)C[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053814 573828231 /nfs/dbraw/zinc/82/82/31/573828231.db2.gz PTYVSMQGCASHLB-BBBLOLIVSA-N 2 2 172.316 1.700 10 0 ADAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053814 573828234 /nfs/dbraw/zinc/82/82/34/573828234.db2.gz PTYVSMQGCASHLB-BBBLOLIVSA-N 2 2 172.316 1.700 10 0 ADAELP CCCC[N@H+](CC)[C@H](C)[C@@H](C)[NH3+] 41053761 573828258 /nfs/dbraw/zinc/82/82/58/573828258.db2.gz VCTXHEIJUCFQKU-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CCCC[N@@H+](CC)[C@H](C)[C@@H](C)[NH3+] 41053761 573828263 /nfs/dbraw/zinc/82/82/63/573828263.db2.gz VCTXHEIJUCFQKU-NXEZZACHSA-N 2 2 172.316 1.844 10 0 ADAELP CCC[N@H+](C(C)C)[C@@H](C)[C@@H](C)[NH3+] 41053798 573828324 /nfs/dbraw/zinc/82/83/24/573828324.db2.gz RVSKMFOQHTWARO-ZJUUUORDSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)[NH3+] 41053798 573828329 /nfs/dbraw/zinc/82/83/29/573828329.db2.gz RVSKMFOQHTWARO-ZJUUUORDSA-N 2 2 172.316 1.843 10 0 ADAELP CC(C)[C@@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053842 573828484 /nfs/dbraw/zinc/82/84/84/573828484.db2.gz AYLJKUDAAIGXDE-BBBLOLIVSA-N 2 2 172.316 1.698 10 0 ADAELP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053842 573828491 /nfs/dbraw/zinc/82/84/91/573828491.db2.gz AYLJKUDAAIGXDE-BBBLOLIVSA-N 2 2 172.316 1.698 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C)C1CCC1 127344856 573828516 /nfs/dbraw/zinc/82/85/16/573828516.db2.gz CXFCWLYRWZZCOL-UHFFFAOYSA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C)C1CCC1 127344856 573828521 /nfs/dbraw/zinc/82/85/21/573828521.db2.gz CXFCWLYRWZZCOL-UHFFFAOYSA-N 2 2 170.300 1.469 10 0 ADAELP [NH3+]CCc1[nH]cc([C@@H]2CCCS2)[nH+]1 258150967 573828674 /nfs/dbraw/zinc/82/86/74/573828674.db2.gz RZKRPCYYRSKWHD-QMMMGPOBSA-N 2 2 197.307 1.479 10 0 ADAELP [NH3+]CCc1[nH]c([C@@H]2CCCS2)c[nH+]1 258150967 573828677 /nfs/dbraw/zinc/82/86/77/573828677.db2.gz RZKRPCYYRSKWHD-QMMMGPOBSA-N 2 2 197.307 1.479 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccccn1 41053836 573828784 /nfs/dbraw/zinc/82/87/84/573828784.db2.gz CHINHPLZZHAKEN-VHSXEESVSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccccn1 41053836 573828788 /nfs/dbraw/zinc/82/87/88/573828788.db2.gz CHINHPLZZHAKEN-VHSXEESVSA-N 2 2 193.294 1.249 10 0 ADAELP CCC[N@H+](CC[NH3+])Cc1cccnc1 41056617 573828904 /nfs/dbraw/zinc/82/89/04/573828904.db2.gz HYRLSBZRTWUUDV-UHFFFAOYSA-N 2 2 193.294 1.252 10 0 ADAELP CCC[N@@H+](CC[NH3+])Cc1cccnc1 41056617 573828910 /nfs/dbraw/zinc/82/89/10/573828910.db2.gz HYRLSBZRTWUUDV-UHFFFAOYSA-N 2 2 193.294 1.252 10 0 ADAELP C[C@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053718 573828937 /nfs/dbraw/zinc/82/89/37/573828937.db2.gz HJCAWSCEXVFFAK-AEJSXWLSSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053718 573828942 /nfs/dbraw/zinc/82/89/42/573828942.db2.gz HJCAWSCEXVFFAK-AEJSXWLSSA-N 2 2 170.300 1.597 10 0 ADAELP CCC[N@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053796 573829010 /nfs/dbraw/zinc/82/90/10/573829010.db2.gz WXQHJFPNVZASTO-BDAKNGLRSA-N 2 2 158.289 1.454 10 0 ADAELP CCC[N@@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053796 573829016 /nfs/dbraw/zinc/82/90/16/573829016.db2.gz WXQHJFPNVZASTO-BDAKNGLRSA-N 2 2 158.289 1.454 10 0 ADAELP C[NH2+][C@H](c1ccncc1)[C@H]1CCC[NH2+]1 259205154 573829086 /nfs/dbraw/zinc/82/90/86/573829086.db2.gz FOLMOPABBFXYFA-GHMZBOCLSA-N 2 2 191.278 1.094 10 0 ADAELP [NH3+]CCc1[nH]cc([C@H]2CCCS2)[nH+]1 258150966 573829281 /nfs/dbraw/zinc/82/92/81/573829281.db2.gz RZKRPCYYRSKWHD-MRVPVSSYSA-N 2 2 197.307 1.479 10 0 ADAELP [NH3+]CCc1[nH]c([C@H]2CCCS2)c[nH+]1 258150966 573829286 /nfs/dbraw/zinc/82/92/86/573829286.db2.gz RZKRPCYYRSKWHD-MRVPVSSYSA-N 2 2 197.307 1.479 10 0 ADAELP CC(C)(C)c1c[nH]c(C(C)(C)C[NH3+])[nH+]1 259206415 573833310 /nfs/dbraw/zinc/83/33/10/573833310.db2.gz YCQWZHPRYSYUBO-UHFFFAOYSA-N 2 2 195.310 1.944 10 0 ADAELP Cn1c(C[NH3+])c[nH+]c1C1CCC1 238532166 573833906 /nfs/dbraw/zinc/83/39/06/573833906.db2.gz RZWFWVRFESVQCS-UHFFFAOYSA-N 2 2 165.240 1.146 10 0 ADAELP Cc1cc(F)cc2[nH+]c(CC[NH3+])[nH]c12 238531818 573832962 /nfs/dbraw/zinc/83/29/62/573832962.db2.gz YRXXULBXXJLLQB-UHFFFAOYSA-N 2 2 193.225 1.512 10 0 ADAELP CC[N@@H+]1CCC[C@H]1[C@@]1(C)CCC[NH2+]1 258151574 573833117 /nfs/dbraw/zinc/83/31/17/573833117.db2.gz KJKMUDCAMOUFQC-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1CCC[C@H]1[C@@]1(C)CCC[NH2+]1 258151574 573833123 /nfs/dbraw/zinc/83/31/23/573833123.db2.gz KJKMUDCAMOUFQC-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP [NH3+][C@H](c1cccnc1)[C@H]1CCCC[NH2+]1 259207383 573833769 /nfs/dbraw/zinc/83/37/69/573833769.db2.gz GIOMIXYGLPDFIM-GHMZBOCLSA-N 2 2 191.278 1.224 10 0 ADAELP Cc1[nH+]c([C@@H]2CCCO2)[nH]c1CC[NH3+] 258153432 573833804 /nfs/dbraw/zinc/83/38/04/573833804.db2.gz SFYJBRUADOPQJY-VIFPVBQESA-N 2 2 195.266 1.071 10 0 ADAELP Cc1[nH]cc(-c2ccc(C[NH3+])cc2)[nH+]1 238532775 573834216 /nfs/dbraw/zinc/83/42/16/573834216.db2.gz YJSNVKKMFBVNDM-UHFFFAOYSA-N 2 2 187.246 1.844 10 0 ADAELP C[NH2+]CC[N@H+](C)CC1(C(F)F)CC1 308762560 573836241 /nfs/dbraw/zinc/83/62/41/573836241.db2.gz YSYULSONICHCAZ-UHFFFAOYSA-N 2 2 192.253 1.183 10 0 ADAELP [NH3+][C@@H](c1cccnc1)[C@H]1CCCC[NH2+]1 259207385 573836090 /nfs/dbraw/zinc/83/60/90/573836090.db2.gz GIOMIXYGLPDFIM-MNOVXSKESA-N 2 2 191.278 1.224 10 0 ADAELP CC(C)[C@@H]1C[NH2+]CCCC[N@@H+]1C 238155386 573836189 /nfs/dbraw/zinc/83/61/89/573836189.db2.gz YPPNWUAJENQSIW-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)[C@@H]1C[NH2+]CCCC[N@H+]1C 238155386 573836192 /nfs/dbraw/zinc/83/61/92/573836192.db2.gz YPPNWUAJENQSIW-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP C[NH2+]CC[N@@H+](C)CC1(C(F)F)CC1 308762560 573836246 /nfs/dbraw/zinc/83/62/46/573836246.db2.gz YSYULSONICHCAZ-UHFFFAOYSA-N 2 2 192.253 1.183 10 0 ADAELP Cc1ccc2[nH+]c(C3C[NH2+]C3)cn2c1 257887253 573836756 /nfs/dbraw/zinc/83/67/56/573836756.db2.gz MTAOVQALRIYXTR-UHFFFAOYSA-N 2 2 187.246 1.330 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 258966121 573836874 /nfs/dbraw/zinc/83/68/74/573836874.db2.gz NDIRNLUECSHIJD-QWRGUYRKSA-N 2 2 191.278 1.051 10 0 ADAELP Cc1[nH]cc(-c2ccc(CC[NH3+])o2)[nH+]1 238532728 573836919 /nfs/dbraw/zinc/83/69/19/573836919.db2.gz YATNXSLQRIJPST-UHFFFAOYSA-N 2 2 191.234 1.479 10 0 ADAELP CC(C)(C[NH2+]C[NH3+])c1cccc(F)c1 258966417 573837054 /nfs/dbraw/zinc/83/70/54/573837054.db2.gz WMLHLXJKCYCLLD-UHFFFAOYSA-N 2 2 196.269 1.609 10 0 ADAELP CNc1[nH]c([C@@H]2CCC[N@H+](C)C2)c[nH+]1 259208552 573839300 /nfs/dbraw/zinc/83/93/00/573839300.db2.gz YGXVAEYANKPOHU-MRVPVSSYSA-N 2 2 194.282 1.261 10 0 ADAELP CNc1[nH]c([C@@H]2CCC[N@@H+](C)C2)c[nH+]1 259208552 573839306 /nfs/dbraw/zinc/83/93/06/573839306.db2.gz YGXVAEYANKPOHU-MRVPVSSYSA-N 2 2 194.282 1.261 10 0 ADAELP CNc1[nH]c([C@H]2CCC[N@H+](C)C2)c[nH+]1 259208554 573839618 /nfs/dbraw/zinc/83/96/18/573839618.db2.gz YGXVAEYANKPOHU-QMMMGPOBSA-N 2 2 194.282 1.261 10 0 ADAELP CNc1[nH]c([C@H]2CCC[N@@H+](C)C2)c[nH+]1 259208554 573839624 /nfs/dbraw/zinc/83/96/24/573839624.db2.gz YGXVAEYANKPOHU-QMMMGPOBSA-N 2 2 194.282 1.261 10 0 ADAELP Cc1[nH+]cccc1N[C@H](C)C1C[NH2+]C1 686251008 573839823 /nfs/dbraw/zinc/83/98/23/573839823.db2.gz QWUBHDLQLJYGLM-MRVPVSSYSA-N 2 2 191.278 1.410 10 0 ADAELP CCc1ccc([C@H]([NH3+])C(C)(C)[NH3+])cc1 259575465 573840924 /nfs/dbraw/zinc/84/09/24/573840924.db2.gz YWPGQNHVLNUZSA-NSHDSACASA-N 2 2 192.306 1.986 10 0 ADAELP C[NH2+]CCc1[nH]c(C(C)(C)F)c(C)[nH+]1 214985991 573841491 /nfs/dbraw/zinc/84/14/91/573841491.db2.gz KAHSNPPMSAATID-UHFFFAOYSA-N 2 2 199.273 1.685 10 0 ADAELP CC[C@@H](C[NH3+])[NH2+]Cc1cnc(C)s1 393593775 573841540 /nfs/dbraw/zinc/84/15/40/573841540.db2.gz AQOBUGSBQJJGHH-QMMMGPOBSA-N 2 2 199.323 1.278 10 0 ADAELP CCCc1ccc(CC[NH2+]C[NH3+])cc1 258968493 573842767 /nfs/dbraw/zinc/84/27/67/573842767.db2.gz WUJZNDWFBJCHQA-UHFFFAOYSA-N 2 2 192.306 1.687 10 0 ADAELP Fc1cccn2c(C3C[NH2+]C3)[nH+]cc12 257887461 573843024 /nfs/dbraw/zinc/84/30/24/573843024.db2.gz WLBDMTOIBQFWEP-UHFFFAOYSA-N 2 2 191.209 1.160 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+]1CCC(C)(C)C1 87252112 573843084 /nfs/dbraw/zinc/84/30/84/573843084.db2.gz JPAAGIBHRYUTLQ-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@H+]1CCC(C)(C)C1 87252112 573843088 /nfs/dbraw/zinc/84/30/88/573843088.db2.gz JPAAGIBHRYUTLQ-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)(C)OCn1c[nH+]c(CC[NH3+])c1 308450825 573843310 /nfs/dbraw/zinc/84/33/10/573843310.db2.gz BGEUXDMDIXABNP-UHFFFAOYSA-N 2 2 197.282 1.157 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@@](C)(F)C1 259623194 573843312 /nfs/dbraw/zinc/84/33/12/573843312.db2.gz FOFSTGKDNRBRQS-DTWKUNHWSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CCC[C@@](C)(F)C1 259623194 573843318 /nfs/dbraw/zinc/84/33/18/573843318.db2.gz FOFSTGKDNRBRQS-DTWKUNHWSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC(C)(C)C1 87252192 573843325 /nfs/dbraw/zinc/84/33/25/573843325.db2.gz HIYCQPDTTPHOHQ-IUCAKERBSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC(C)(C)C1 87252192 573843330 /nfs/dbraw/zinc/84/33/30/573843330.db2.gz HIYCQPDTTPHOHQ-IUCAKERBSA-N 2 2 170.300 1.454 10 0 ADAELP Cc1[nH+]c(CCC[NH3+])[nH]c1C(C)(C)F 214986301 573843355 /nfs/dbraw/zinc/84/33/55/573843355.db2.gz XFMZSCHAHIZORP-UHFFFAOYSA-N 2 2 199.273 1.814 10 0 ADAELP CCC[N@@H+](C1CC1)[C@@H](CC)C(N)=[NH2+] 43545534 573843401 /nfs/dbraw/zinc/84/34/01/573843401.db2.gz OULRLQHXTYRWNV-VIFPVBQESA-N 2 2 183.299 1.575 10 0 ADAELP CCC[N@H+](C1CC1)[C@@H](CC)C(N)=[NH2+] 43545534 573843409 /nfs/dbraw/zinc/84/34/09/573843409.db2.gz OULRLQHXTYRWNV-VIFPVBQESA-N 2 2 183.299 1.575 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252108 573843528 /nfs/dbraw/zinc/84/35/28/573843528.db2.gz JPAAGIBHRYUTLQ-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCC(C)(C)C1 87252108 573843531 /nfs/dbraw/zinc/84/35/31/573843531.db2.gz JPAAGIBHRYUTLQ-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@](C)(F)C1 259623199 573843615 /nfs/dbraw/zinc/84/36/15/573843615.db2.gz FOFSTGKDNRBRQS-IUCAKERBSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CCC[C@](C)(F)C1 259623199 573843622 /nfs/dbraw/zinc/84/36/22/573843622.db2.gz FOFSTGKDNRBRQS-IUCAKERBSA-N 2 2 174.263 1.158 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@@H+]1CCC(C)(C)C1 87252010 573843700 /nfs/dbraw/zinc/84/37/00/573843700.db2.gz UWZSKUFKZLXZGJ-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87252010 573843708 /nfs/dbraw/zinc/84/37/08/573843708.db2.gz UWZSKUFKZLXZGJ-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)Cn1c[nH+]cc1C1C[NH2+]C1 131349652 573843757 /nfs/dbraw/zinc/84/37/57/573843757.db2.gz QITSRAUSGUIDQB-VIFPVBQESA-N 2 2 193.294 1.616 10 0 ADAELP CC1(C)CC[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 87252035 573845582 /nfs/dbraw/zinc/84/55/82/573845582.db2.gz RKQSDHJQLHOFRJ-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252007 573845697 /nfs/dbraw/zinc/84/56/97/573845697.db2.gz UWZSKUFKZLXZGJ-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP [NH3+]C1(CC[NH2+]CC(F)F)CCCC1 147810918 573845093 /nfs/dbraw/zinc/84/50/93/573845093.db2.gz DDNBVXJOMOQBHZ-UHFFFAOYSA-N 2 2 192.253 1.503 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252007 573845699 /nfs/dbraw/zinc/84/56/99/573845699.db2.gz UWZSKUFKZLXZGJ-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP CC1(C)CC[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 87252035 573845574 /nfs/dbraw/zinc/84/55/74/573845574.db2.gz RKQSDHJQLHOFRJ-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C[NH3+] 257888558 573848066 /nfs/dbraw/zinc/84/80/66/573848066.db2.gz WQBQHCXUGCEHOT-VXGBXAGGSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C[NH3+] 257888558 573848072 /nfs/dbraw/zinc/84/80/72/573848072.db2.gz WQBQHCXUGCEHOT-VXGBXAGGSA-N 2 2 190.290 1.433 10 0 ADAELP CC(C)C[N@@H+]1CCC2CC1(C[NH3+])C2 238150198 573848191 /nfs/dbraw/zinc/84/81/91/573848191.db2.gz DANUSVMLYLAMSV-UHFFFAOYSA-N 2 2 182.311 1.456 10 0 ADAELP CC(C)C[N@H+]1CCC2CC1(C[NH3+])C2 238150198 573848199 /nfs/dbraw/zinc/84/81/99/573848199.db2.gz DANUSVMLYLAMSV-UHFFFAOYSA-N 2 2 182.311 1.456 10 0 ADAELP CCC[N@H+](C)[C@@H](CC)C(N)=[NH2+] 43545536 573848833 /nfs/dbraw/zinc/84/88/33/573848833.db2.gz AHTVYGXNBGEJKW-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CCC[N@@H+](C)[C@@H](CC)C(N)=[NH2+] 43545536 573848839 /nfs/dbraw/zinc/84/88/39/573848839.db2.gz AHTVYGXNBGEJKW-ZETCQYMHSA-N 2 2 157.261 1.043 10 0 ADAELP CC1(C)CC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 87252134 573849870 /nfs/dbraw/zinc/84/98/70/573849870.db2.gz ZSBZWJYJCZZDPK-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP CC1(C)CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 87252134 573849873 /nfs/dbraw/zinc/84/98/73/573849873.db2.gz ZSBZWJYJCZZDPK-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C[NH3+] 257888550 573849965 /nfs/dbraw/zinc/84/99/65/573849965.db2.gz WQBQHCXUGCEHOT-NEPJUHHUSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C[NH3+] 257888550 573849970 /nfs/dbraw/zinc/84/99/70/573849970.db2.gz WQBQHCXUGCEHOT-NEPJUHHUSA-N 2 2 190.290 1.433 10 0 ADAELP [NH3+][C@H]1CCCC[C@@H]1C[NH2+]CC(F)F 147811573 573850354 /nfs/dbraw/zinc/85/03/54/573850354.db2.gz RLPQSHUQKOALBE-SFYZADRCSA-N 2 2 192.253 1.359 10 0 ADAELP CC1(C)CC[N@@H+]([C@@H]2CCCC[NH2+]C2)C1 87259227 573851489 /nfs/dbraw/zinc/85/14/89/573851489.db2.gz ZUQZYEQRQXUBIO-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 87259227 573851496 /nfs/dbraw/zinc/85/14/96/573851496.db2.gz ZUQZYEQRQXUBIO-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+]1CCC(C)(C)C1 87255070 573852471 /nfs/dbraw/zinc/85/24/71/573852471.db2.gz PINVUXRNLSFUBW-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+]1CCC(C)(C)C1 87255070 573852475 /nfs/dbraw/zinc/85/24/75/573852475.db2.gz PINVUXRNLSFUBW-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC1(C)CC[N@@H+]([C@H]2CCCC[NH2+]C2)C1 87259229 573853552 /nfs/dbraw/zinc/85/35/52/573853552.db2.gz ZUQZYEQRQXUBIO-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[N@H+]([C@H]2CCCC[NH2+]C2)C1 87259229 573853559 /nfs/dbraw/zinc/85/35/59/573853559.db2.gz ZUQZYEQRQXUBIO-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[N@H+](C[C@]2(C)CCC[NH2+]2)C1 87255251 573853661 /nfs/dbraw/zinc/85/36/61/573853661.db2.gz WNFAIJLWYZWARC-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CC[N@@H+](C[C@]2(C)CCC[NH2+]2)C1 87255251 573853668 /nfs/dbraw/zinc/85/36/68/573853668.db2.gz WNFAIJLWYZWARC-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)C[NH2+]CC[N@@H+](C2CCC2)C1 258154235 573853678 /nfs/dbraw/zinc/85/36/78/573853678.db2.gz NITBIYVDBJHRIA-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC1(C)C[NH2+]CC[N@H+](C2CCC2)C1 258154235 573853685 /nfs/dbraw/zinc/85/36/85/573853685.db2.gz NITBIYVDBJHRIA-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCC(C)(C)C1 87254858 573854228 /nfs/dbraw/zinc/85/42/28/573854228.db2.gz DZQBIIUZDKALSM-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@H+]1CCC(C)(C)C1 87254858 573854231 /nfs/dbraw/zinc/85/42/31/573854231.db2.gz DZQBIIUZDKALSM-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+]C1(C[N@H+](C)[C@H](C)C2CC2)CCC1 308454196 573854280 /nfs/dbraw/zinc/85/42/80/573854280.db2.gz BBOAKHSAMVVCHR-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]C1(C[N@@H+](C)[C@H](C)C2CC2)CCC1 308454196 573854286 /nfs/dbraw/zinc/85/42/86/573854286.db2.gz BBOAKHSAMVVCHR-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[C@H]([NH3+])c1cc(N)cc[nH+]1 238172734 573855630 /nfs/dbraw/zinc/85/56/30/573855630.db2.gz DHGVZQBQHBYKHU-SECBINFHSA-N 2 2 179.267 1.710 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCC(C)(C)C1 87255118 573855654 /nfs/dbraw/zinc/85/56/54/573855654.db2.gz XPSKZBKLFYBSIC-SNVBAGLBSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87255118 573855659 /nfs/dbraw/zinc/85/56/59/573855659.db2.gz XPSKZBKLFYBSIC-SNVBAGLBSA-N 2 2 184.327 1.702 10 0 ADAELP Cc1cc2c(c([C@H]([NH3+])C[NH3+])c1)CCC2 238544059 573857944 /nfs/dbraw/zinc/85/79/44/573857944.db2.gz PROUOKSSXMEKSW-GFCCVEGCSA-N 2 2 190.290 1.442 10 0 ADAELP Cc1cc2c(cc1[C@@H]([NH3+])C[NH3+])CCC2 238544368 573857782 /nfs/dbraw/zinc/85/77/82/573857782.db2.gz VINUJNUORDXVOI-LBPRGKRZSA-N 2 2 190.290 1.442 10 0 ADAELP C[NH2+]CCC[NH2+]Cc1csc(C)n1 43606519 573860154 /nfs/dbraw/zinc/86/01/54/573860154.db2.gz CTVUBPLXOSOBGB-UHFFFAOYSA-N 2 2 199.323 1.151 10 0 ADAELP CCC[NH2+][C@H](CC)[C@H](C)[NH+](C)C 43816215 573870228 /nfs/dbraw/zinc/87/02/28/573870228.db2.gz AWOPUKREIHUHER-VHSXEESVSA-N 2 2 172.316 1.715 10 0 ADAELP C[N@@H+]1CC[C@@]([NH3+])(c2ccccc2)C1 84333252 573862453 /nfs/dbraw/zinc/86/24/53/573862453.db2.gz XXQAZLHFYUXHDT-NSHDSACASA-N 2 2 176.263 1.176 10 0 ADAELP C[N@H+]1CC[C@@]([NH3+])(c2ccccc2)C1 84333252 573862460 /nfs/dbraw/zinc/86/24/60/573862460.db2.gz XXQAZLHFYUXHDT-NSHDSACASA-N 2 2 176.263 1.176 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+](C(C(C)C)C(C)C)C1 308457535 573862678 /nfs/dbraw/zinc/86/26/78/573862678.db2.gz FHPGLNYVMXVINI-NSHDSACASA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+][C@H]1CC[N@H+](C(C(C)C)C(C)C)C1 308457535 573862684 /nfs/dbraw/zinc/86/26/84/573862684.db2.gz FHPGLNYVMXVINI-NSHDSACASA-N 2 2 198.354 1.961 10 0 ADAELP COc1cc[nH+]cc1NCCCC[NH3+] 308458458 573862971 /nfs/dbraw/zinc/86/29/71/573862971.db2.gz DTXNSNJJQQUWRV-UHFFFAOYSA-N 2 2 195.266 1.241 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1c1cc(C[NH3+])n[nH]1 259215540 573863213 /nfs/dbraw/zinc/86/32/13/573863213.db2.gz LLMNCSKVWQIXTI-SNVBAGLBSA-N 2 2 194.282 1.025 10 0 ADAELP C[N@H+]1CCCC[C@@H]1c1cc(C[NH3+])n[nH]1 259215540 573863217 /nfs/dbraw/zinc/86/32/17/573863217.db2.gz LLMNCSKVWQIXTI-SNVBAGLBSA-N 2 2 194.282 1.025 10 0 ADAELP CC[NH2+][C@@H](C[N@H+](C)CC)C(C)(C)C 43820319 573863964 /nfs/dbraw/zinc/86/39/64/573863964.db2.gz KKTCUEPGSFOORU-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@@H](C[N@@H+](C)CC)C(C)(C)C 43820319 573863967 /nfs/dbraw/zinc/86/39/67/573863967.db2.gz KKTCUEPGSFOORU-JTQLQIEISA-N 2 2 186.343 1.962 10 0 ADAELP C[N@@H+]1CC[C@@]([NH3+])(Cc2cccs2)C1 84360034 573864053 /nfs/dbraw/zinc/86/40/53/573864053.db2.gz QCFSRDNLZDMYLC-SNVBAGLBSA-N 2 2 196.319 1.324 10 0 ADAELP C[N@H+]1CC[C@@]([NH3+])(Cc2cccs2)C1 84360034 573864056 /nfs/dbraw/zinc/86/40/56/573864056.db2.gz QCFSRDNLZDMYLC-SNVBAGLBSA-N 2 2 196.319 1.324 10 0 ADAELP C[N@@H+]1CC[C@]([NH3+])(Cc2ccsc2)C1 84360025 573867976 /nfs/dbraw/zinc/86/79/76/573867976.db2.gz HXRNGXLSDRCNOT-JTQLQIEISA-N 2 2 196.319 1.324 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)[NH2+]C 43904427 573867625 /nfs/dbraw/zinc/86/76/25/573867625.db2.gz BVFKBZUQLZKOHA-OUAUKWLOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)[NH2+]C 43904427 573867629 /nfs/dbraw/zinc/86/76/29/573867629.db2.gz BVFKBZUQLZKOHA-OUAUKWLOSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@H](C)[C@@H](C)[NH+](C)C 43816339 573867794 /nfs/dbraw/zinc/86/77/94/573867794.db2.gz HKXKXHMEIUGFJA-RKDXNWHRSA-N 2 2 158.289 1.325 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CC1CC1 43905782 573867849 /nfs/dbraw/zinc/86/78/49/573867849.db2.gz XOPXJJBPBRUAPW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CC1CC1 43905782 573867852 /nfs/dbraw/zinc/86/78/52/573867852.db2.gz XOPXJJBPBRUAPW-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(Cc2ccsc2)C1 84360025 573867982 /nfs/dbraw/zinc/86/79/82/573867982.db2.gz HXRNGXLSDRCNOT-JTQLQIEISA-N 2 2 196.319 1.324 10 0 ADAELP CCC[NH2+][C@@H](CC)[C@H](C)[NH+](C)C 43816214 573868116 /nfs/dbraw/zinc/86/81/16/573868116.db2.gz AWOPUKREIHUHER-UWVGGRQHSA-N 2 2 172.316 1.715 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]C 43885960 573868128 /nfs/dbraw/zinc/86/81/28/573868128.db2.gz DQMBQFUQOYXDCW-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]C 43885960 573868132 /nfs/dbraw/zinc/86/81/32/573868132.db2.gz DQMBQFUQOYXDCW-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C1CCC(c2[nH]c(C)c[nH+]2)CC1 259216858 573868577 /nfs/dbraw/zinc/86/85/77/573868577.db2.gz ZADTVSJACRPHQH-UHFFFAOYSA-N 2 2 193.294 1.964 10 0 ADAELP CCC[NH2+][C@@H]1CCC[C@@H]1[NH+](C)C 43816194 573868591 /nfs/dbraw/zinc/86/85/91/573868591.db2.gz SBXOIOJQMIWADP-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@H+](CC)[C@@H](C)[C@@H](C)[NH2+]C 43884509 573868630 /nfs/dbraw/zinc/86/86/30/573868630.db2.gz WRGVMFFBHBRPLT-ZJUUUORDSA-N 2 2 172.316 1.715 10 0 ADAELP CCC[N@@H+](CC)[C@@H](C)[C@@H](C)[NH2+]C 43884509 573868636 /nfs/dbraw/zinc/86/86/36/573868636.db2.gz WRGVMFFBHBRPLT-ZJUUUORDSA-N 2 2 172.316 1.715 10 0 ADAELP C[C@H](c1ccoc1)[N@@H+]1CC[C@H]([NH3+])C1 87290695 573868668 /nfs/dbraw/zinc/86/86/68/573868668.db2.gz DGXGJYWIGYWXTP-SCZZXKLOSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@H](c1ccoc1)[N@H+]1CC[C@H]([NH3+])C1 87290695 573868677 /nfs/dbraw/zinc/86/86/77/573868677.db2.gz DGXGJYWIGYWXTP-SCZZXKLOSA-N 2 2 180.251 1.374 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@H]([NH3+])c2cncs2)C1 84361519 573868751 /nfs/dbraw/zinc/86/87/51/573868751.db2.gz SIMOLLHQRIOALS-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H]([C@H]([NH3+])c2cncs2)C1 84361519 573868759 /nfs/dbraw/zinc/86/87/59/573868759.db2.gz SIMOLLHQRIOALS-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[C@@]([NH3+])(C[N@@H+]1CC[C@H](F)C1)C1CC1 689911792 573868811 /nfs/dbraw/zinc/86/88/11/573868811.db2.gz GCNXAYVTWBBUHA-VHSXEESVSA-N 2 2 186.274 1.158 10 0 ADAELP C[C@@]([NH3+])(C[N@H+]1CC[C@H](F)C1)C1CC1 689911792 573868814 /nfs/dbraw/zinc/86/88/14/573868814.db2.gz GCNXAYVTWBBUHA-VHSXEESVSA-N 2 2 186.274 1.158 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 43887207 573868827 /nfs/dbraw/zinc/86/88/27/573868827.db2.gz HUJDNPUNXHCGEZ-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@]([NH3+])(C[N@@H+]1CC[C@@H](F)C1)C1CC1 689911790 573868829 /nfs/dbraw/zinc/86/88/29/573868829.db2.gz GCNXAYVTWBBUHA-NXEZZACHSA-N 2 2 186.274 1.158 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH2+]C 43887207 573868831 /nfs/dbraw/zinc/86/88/31/573868831.db2.gz HUJDNPUNXHCGEZ-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@]([NH3+])(C[N@H+]1CC[C@@H](F)C1)C1CC1 689911790 573868832 /nfs/dbraw/zinc/86/88/32/573868832.db2.gz GCNXAYVTWBBUHA-NXEZZACHSA-N 2 2 186.274 1.158 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CC1CC1 43905138 573868845 /nfs/dbraw/zinc/86/88/45/573868845.db2.gz PCLWWALYNGXIKB-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CC1CC1 43905138 573868853 /nfs/dbraw/zinc/86/88/53/573868853.db2.gz PCLWWALYNGXIKB-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1c[nH+]cc(N[C@@H](C)C2C[NH2+]C2)c1 686251173 573869181 /nfs/dbraw/zinc/86/91/81/573869181.db2.gz VDIJIUNCEKWXDG-VIFPVBQESA-N 2 2 191.278 1.410 10 0 ADAELP C[NH2+][C@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](C)C1 43908344 573869270 /nfs/dbraw/zinc/86/92/70/573869270.db2.gz FGNRWDNXBZSFBJ-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCCC[C@H]1[N@H+]1CC[C@@H](C)C1 43908344 573869275 /nfs/dbraw/zinc/86/92/75/573869275.db2.gz FGNRWDNXBZSFBJ-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)C1CC1 43822572 573869295 /nfs/dbraw/zinc/86/92/95/573869295.db2.gz LNRGVRMWZVQGCR-SCZZXKLOSA-N 2 2 170.300 1.467 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)C1CC1 43822572 573869301 /nfs/dbraw/zinc/86/93/01/573869301.db2.gz LNRGVRMWZVQGCR-SCZZXKLOSA-N 2 2 170.300 1.467 10 0 ADAELP C[NH2+][C@H]1CCCC[C@H]1[N@H+](C)CC1CC1 43905486 573869363 /nfs/dbraw/zinc/86/93/63/573869363.db2.gz YENPHFHMXFUOJI-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)CC1CC1 43905486 573869367 /nfs/dbraw/zinc/86/93/67/573869367.db2.gz YENPHFHMXFUOJI-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](c1ccoc1)[N@@H+]1CCC[C@H]([NH3+])C1 87290686 573869388 /nfs/dbraw/zinc/86/93/88/573869388.db2.gz MYHSPYSGCMUMDH-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccoc1)[N@H+]1CCC[C@H]([NH3+])C1 87290686 573869394 /nfs/dbraw/zinc/86/93/94/573869394.db2.gz MYHSPYSGCMUMDH-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CC1CC1 43905134 573869428 /nfs/dbraw/zinc/86/94/28/573869428.db2.gz PCLWWALYNGXIKB-QWRGUYRKSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CC1CC1 43905134 573869430 /nfs/dbraw/zinc/86/94/30/573869430.db2.gz PCLWWALYNGXIKB-QWRGUYRKSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](c1ccoc1)[N@@H+]1CCC[NH2+]CC1 87290680 573869553 /nfs/dbraw/zinc/86/95/53/573869553.db2.gz XZDUNIHYEAJBLF-JTQLQIEISA-N 2 2 194.278 1.636 10 0 ADAELP C[C@@H](c1ccoc1)[N@H+]1CCC[NH2+]CC1 87290680 573869562 /nfs/dbraw/zinc/86/95/62/573869562.db2.gz XZDUNIHYEAJBLF-JTQLQIEISA-N 2 2 194.278 1.636 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH2+]C 43904151 573869620 /nfs/dbraw/zinc/86/96/20/573869620.db2.gz JCZNROCIISPHNA-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP Cc1c[nH+]cc(N[C@H](C)C2C[NH2+]C2)c1 686251172 573869621 /nfs/dbraw/zinc/86/96/21/573869621.db2.gz VDIJIUNCEKWXDG-SECBINFHSA-N 2 2 191.278 1.410 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@@H](C)[NH2+]C 43904151 573869623 /nfs/dbraw/zinc/86/96/23/573869623.db2.gz JCZNROCIISPHNA-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP C[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)CC1CC1 43905480 573869692 /nfs/dbraw/zinc/86/96/92/573869692.db2.gz YENPHFHMXFUOJI-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)CC1CC1 43905480 573869697 /nfs/dbraw/zinc/86/96/97/573869697.db2.gz YENPHFHMXFUOJI-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)CC1CC1 43905476 573869775 /nfs/dbraw/zinc/86/97/75/573869775.db2.gz YENPHFHMXFUOJI-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)CC1CC1 43905476 573869785 /nfs/dbraw/zinc/86/97/85/573869785.db2.gz YENPHFHMXFUOJI-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H](C)[C@H](C)[NH+](C)C 43816340 573869979 /nfs/dbraw/zinc/86/99/79/573869979.db2.gz HKXKXHMEIUGFJA-IUCAKERBSA-N 2 2 158.289 1.325 10 0 ADAELP C[C@]([NH3+])(C[N@@H+]1CC[C@@H](F)C1)C1CC1 689911793 573870076 /nfs/dbraw/zinc/87/00/76/573870076.db2.gz GCNXAYVTWBBUHA-ZJUUUORDSA-N 2 2 186.274 1.158 10 0 ADAELP C[C@]([NH3+])(C[N@H+]1CC[C@@H](F)C1)C1CC1 689911793 573870081 /nfs/dbraw/zinc/87/00/81/573870081.db2.gz GCNXAYVTWBBUHA-ZJUUUORDSA-N 2 2 186.274 1.158 10 0 ADAELP CCC[NH2+][C@H](C[NH+](C)C)C(C)(C)C 43816189 573870085 /nfs/dbraw/zinc/87/00/85/573870085.db2.gz ONUAKDNSWCRBGC-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@H](C)C[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43889638 573870875 /nfs/dbraw/zinc/87/08/75/573870875.db2.gz SJPYVAYAIGWTNM-AXFHLTTASA-N 2 2 186.343 1.961 10 0 ADAELP C[C@H](c1ccoc1)[N@@H+]1CCC[C@H]([NH3+])C1 87290687 573870101 /nfs/dbraw/zinc/87/01/01/573870101.db2.gz MYHSPYSGCMUMDH-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccoc1)[N@H+]1CCC[C@H]([NH3+])C1 87290687 573870107 /nfs/dbraw/zinc/87/01/07/573870107.db2.gz MYHSPYSGCMUMDH-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP CCC[NH2+][C@@H]1CCC[C@H]1[NH+](C)C 43816196 573870131 /nfs/dbraw/zinc/87/01/31/573870131.db2.gz SBXOIOJQMIWADP-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43889638 573870879 /nfs/dbraw/zinc/87/08/79/573870879.db2.gz SJPYVAYAIGWTNM-AXFHLTTASA-N 2 2 186.343 1.961 10 0 ADAELP CCC[N@H+](C)[C@H]1CCCC[C@@H]1[NH2+]C 43885961 573870262 /nfs/dbraw/zinc/87/02/62/573870262.db2.gz DQMBQFUQOYXDCW-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](C)[C@H]1CCCC[C@@H]1[NH2+]C 43885961 573870267 /nfs/dbraw/zinc/87/02/67/573870267.db2.gz DQMBQFUQOYXDCW-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](CC)[C@H](C)[C@@H](C)[NH2+]C 43884511 573870288 /nfs/dbraw/zinc/87/02/88/573870288.db2.gz WRGVMFFBHBRPLT-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP CCC[N@@H+](CC)[C@H](C)[C@@H](C)[NH2+]C 43884511 573870292 /nfs/dbraw/zinc/87/02/92/573870292.db2.gz WRGVMFFBHBRPLT-NXEZZACHSA-N 2 2 172.316 1.715 10 0 ADAELP CC[NH2+][C@H](C[NH+](C)C)C(C)(C)C 43816000 573870327 /nfs/dbraw/zinc/87/03/27/573870327.db2.gz MVUUYIFVGOXMGW-SECBINFHSA-N 2 2 172.316 1.572 10 0 ADAELP C[N@@H+]1CC[C@@]([NH3+])(Cc2ccccc2)C1 84350497 573870416 /nfs/dbraw/zinc/87/04/16/573870416.db2.gz JMKIYQCXAWCWIP-GFCCVEGCSA-N 2 2 190.290 1.262 10 0 ADAELP C[N@H+]1CC[C@@]([NH3+])(Cc2ccccc2)C1 84350497 573870421 /nfs/dbraw/zinc/87/04/21/573870421.db2.gz JMKIYQCXAWCWIP-GFCCVEGCSA-N 2 2 190.290 1.262 10 0 ADAELP CCC[NH2+][C@@H](CC)[C@@H](C)[NH+](C)C 43816212 573870631 /nfs/dbraw/zinc/87/06/31/573870631.db2.gz AWOPUKREIHUHER-ZJUUUORDSA-N 2 2 172.316 1.715 10 0 ADAELP Cc1cccc([C@]2([NH3+])CC[N@@H+](C)C2)c1 84350504 573870650 /nfs/dbraw/zinc/87/06/50/573870650.db2.gz CCQPRXLBOJGXBH-LBPRGKRZSA-N 2 2 190.290 1.485 10 0 ADAELP Cc1cccc([C@]2([NH3+])CC[N@H+](C)C2)c1 84350504 573870653 /nfs/dbraw/zinc/87/06/53/573870653.db2.gz CCQPRXLBOJGXBH-LBPRGKRZSA-N 2 2 190.290 1.485 10 0 ADAELP CC[C@@H](C)C[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43889636 573870701 /nfs/dbraw/zinc/87/07/01/573870701.db2.gz SJPYVAYAIGWTNM-MXWKQRLJSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]C 43889636 573870705 /nfs/dbraw/zinc/87/07/05/573870705.db2.gz SJPYVAYAIGWTNM-MXWKQRLJSA-N 2 2 186.343 1.961 10 0 ADAELP CCC[C@H]([NH3+])C[N@@H+]1CC2CCC1CC2 308459533 573870722 /nfs/dbraw/zinc/87/07/22/573870722.db2.gz CVCJZMQMEBSTES-CXQJBGSLSA-N 2 2 196.338 1.988 10 0 ADAELP CCC[C@H]([NH3+])C[N@H+]1CC2CCC1CC2 308459533 573870729 /nfs/dbraw/zinc/87/07/29/573870729.db2.gz CVCJZMQMEBSTES-CXQJBGSLSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1ccc([C@@]2([NH3+])CC[N@@H+](C)C2)cc1 84350515 573870746 /nfs/dbraw/zinc/87/07/46/573870746.db2.gz HDDATBKYEMZYMQ-GFCCVEGCSA-N 2 2 190.290 1.485 10 0 ADAELP Cc1ccc([C@@]2([NH3+])CC[N@H+](C)C2)cc1 84350515 573870753 /nfs/dbraw/zinc/87/07/53/573870753.db2.gz HDDATBKYEMZYMQ-GFCCVEGCSA-N 2 2 190.290 1.485 10 0 ADAELP C[N@H+](Cc1ccc[nH]1)CC(C)(C)[NH3+] 258979654 573870795 /nfs/dbraw/zinc/87/07/95/573870795.db2.gz ZPTXRUPKMKHAAJ-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP C[N@@H+](Cc1ccc[nH]1)CC(C)(C)[NH3+] 258979654 573870797 /nfs/dbraw/zinc/87/07/97/573870797.db2.gz ZPTXRUPKMKHAAJ-UHFFFAOYSA-N 2 2 181.283 1.184 10 0 ADAELP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)C1CC1 43822578 573872047 /nfs/dbraw/zinc/87/20/47/573872047.db2.gz LNRGVRMWZVQGCR-WPRPVWTQSA-N 2 2 170.300 1.467 10 0 ADAELP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)C1CC1 43822578 573872053 /nfs/dbraw/zinc/87/20/53/573872053.db2.gz LNRGVRMWZVQGCR-WPRPVWTQSA-N 2 2 170.300 1.467 10 0 ADAELP Cc1ccccc1[C@]1([NH3+])CC[N@@H+](C)C1 84350519 573871855 /nfs/dbraw/zinc/87/18/55/573871855.db2.gz ICUXFQSSNYZUPQ-LBPRGKRZSA-N 2 2 190.290 1.485 10 0 ADAELP Cc1ccccc1[C@]1([NH3+])CC[N@H+](C)C1 84350519 573871862 /nfs/dbraw/zinc/87/18/62/573871862.db2.gz ICUXFQSSNYZUPQ-LBPRGKRZSA-N 2 2 190.290 1.485 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@H+](C)CC1CC1 43905142 573871905 /nfs/dbraw/zinc/87/19/05/573871905.db2.gz PCLWWALYNGXIKB-WDEREUQCSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CC1CC1 43905142 573871910 /nfs/dbraw/zinc/87/19/10/573871910.db2.gz PCLWWALYNGXIKB-WDEREUQCSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[NH2+][C@H]1CCC[C@@H]1[NH+](C)C 43816195 573872007 /nfs/dbraw/zinc/87/20/07/573872007.db2.gz SBXOIOJQMIWADP-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@]([NH3+])(C[N@H+]1CC[C@H](F)C1)C1CC1 689911791 573873315 /nfs/dbraw/zinc/87/33/15/573873315.db2.gz GCNXAYVTWBBUHA-UWVGGRQHSA-N 2 2 186.274 1.158 10 0 ADAELP CC[C@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)[NH2+]C 43904431 573873240 /nfs/dbraw/zinc/87/32/40/573873240.db2.gz BVFKBZUQLZKOHA-VWYCJHECSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+]CNc1ccc2[nH]c[nH+]c2c1 258976668 573873241 /nfs/dbraw/zinc/87/32/41/573873241.db2.gz XRWGCTCUQMBLOC-UHFFFAOYSA-N 2 2 176.223 1.152 10 0 ADAELP CC[C@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)[NH2+]C 43904431 573873246 /nfs/dbraw/zinc/87/32/46/573873246.db2.gz BVFKBZUQLZKOHA-VWYCJHECSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+]C[NH2+]CCC1CCCCC1 258976492 573873300 /nfs/dbraw/zinc/87/33/00/573873300.db2.gz XPKCIQXZVUYBJU-UHFFFAOYSA-N 2 2 170.300 1.723 10 0 ADAELP C[C@]([NH3+])(C[N@@H+]1CC[C@H](F)C1)C1CC1 689911791 573873312 /nfs/dbraw/zinc/87/33/12/573873312.db2.gz GCNXAYVTWBBUHA-UWVGGRQHSA-N 2 2 186.274 1.158 10 0 ADAELP CCC[NH2+][C@H]1CCC[C@H]1[NH+](C)C 43816197 573873330 /nfs/dbraw/zinc/87/33/30/573873330.db2.gz SBXOIOJQMIWADP-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP C[NH+](C)CC[NH2+]C/C=C\C1CC1 393595005 573873668 /nfs/dbraw/zinc/87/36/68/573873668.db2.gz DRAPSZAOQCFAAT-ARJAWSKDSA-N 2 2 168.284 1.104 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)CC(C)C 43886543 573874756 /nfs/dbraw/zinc/87/47/56/573874756.db2.gz POUDDHKXLKXQBS-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)CC(C)C 43886543 573874758 /nfs/dbraw/zinc/87/47/58/573874758.db2.gz POUDDHKXLKXQBS-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc2c(c1)CCC2 258978680 573874808 /nfs/dbraw/zinc/87/48/08/573874808.db2.gz DSKIMQUVEQSLOW-LBPRGKRZSA-N 2 2 190.290 1.395 10 0 ADAELP Cc1[nH+]c(N)ccc1[C@H]1CCC[NH2+]C1 238551473 573877062 /nfs/dbraw/zinc/87/70/62/573877062.db2.gz MRALSRIWSHLFNH-VIFPVBQESA-N 2 2 191.278 1.439 10 0 ADAELP COCCC[C@@H]([NH3+])c1c[nH+]c(C)n1C 308460677 573877093 /nfs/dbraw/zinc/87/70/93/573877093.db2.gz GFCTYCDRZMCCQW-SECBINFHSA-N 2 2 197.282 1.155 10 0 ADAELP Cc1cn(-c2cc[nH+]cc2N)c[nH+]1 238551889 573876867 /nfs/dbraw/zinc/87/68/67/573876867.db2.gz OEIKFAWUYFGRGB-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP CC[C@H]([NH2+]C)[C@H](C)n1cc[nH+]c1 43993158 573876937 /nfs/dbraw/zinc/87/69/37/573876937.db2.gz JRQWKBDGBBRSLI-IUCAKERBSA-N 2 2 167.256 1.442 10 0 ADAELP C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C 43993101 573879128 /nfs/dbraw/zinc/87/91/28/573879128.db2.gz BHRDLEWMVMCUGW-VIFPVBQESA-N 2 2 181.283 1.517 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2CC=CCC2)c[nH+]1 80122783 573879062 /nfs/dbraw/zinc/87/90/62/573879062.db2.gz GQLGYBFGHQBESZ-JTQLQIEISA-N 2 2 191.278 1.916 10 0 ADAELP CC1([C@@H]([NH3+])Cc2[nH]cc[nH+]2)CCCC1 87316072 573878768 /nfs/dbraw/zinc/87/87/68/573878768.db2.gz RCGWOURCWDKMHZ-VIFPVBQESA-N 2 2 193.294 1.860 10 0 ADAELP CC[NH2+][C@@H](Cc1ccoc1)C[NH+](C)C 131581625 573880056 /nfs/dbraw/zinc/88/00/56/573880056.db2.gz GXNCQWBGNOKABS-NSHDSACASA-N 2 2 196.294 1.362 10 0 ADAELP C[NH2+][C@H](C)C[N@H+](CC1CC1)C(C)C 43974300 573880098 /nfs/dbraw/zinc/88/00/98/573880098.db2.gz BGOAULWKTCHIFJ-SNVBAGLBSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+](CC1CC1)C(C)C 43974300 573880103 /nfs/dbraw/zinc/88/01/03/573880103.db2.gz BGOAULWKTCHIFJ-SNVBAGLBSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C 43993099 573880119 /nfs/dbraw/zinc/88/01/19/573880119.db2.gz BHRDLEWMVMCUGW-SECBINFHSA-N 2 2 181.283 1.517 10 0 ADAELP CC[NH2+][C@@H](C)[C@H](C)n1cc[nH+]c1 43992584 573880138 /nfs/dbraw/zinc/88/01/38/573880138.db2.gz RKSALCPZGDKWEU-IUCAKERBSA-N 2 2 167.256 1.442 10 0 ADAELP CC[C@@H]([NH2+]C)[C@@H](C)n1cc[nH+]c1 43993156 573880186 /nfs/dbraw/zinc/88/01/86/573880186.db2.gz JRQWKBDGBBRSLI-RKDXNWHRSA-N 2 2 167.256 1.442 10 0 ADAELP [NH3+]C[C@]1(c2ccccc2)CCCC[NH2+]1 258171611 573880193 /nfs/dbraw/zinc/88/01/93/573880193.db2.gz MGQZFDSSPCHIJY-LBPRGKRZSA-N 2 2 190.290 1.614 10 0 ADAELP C[C@H]([N@@H+]1CCC[NH2+]CC1)C(C)(C)C 76580829 573881190 /nfs/dbraw/zinc/88/11/90/573881190.db2.gz PANNGCKOIBTVMH-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]([N@H+]1CCC[NH2+]CC1)C(C)(C)C 76580829 573881195 /nfs/dbraw/zinc/88/11/95/573881195.db2.gz PANNGCKOIBTVMH-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CCC[NH2+][C@H](C)[C@H](C)n1cc[nH+]c1 43992455 573881434 /nfs/dbraw/zinc/88/14/34/573881434.db2.gz DJOQBKGSQMVSQM-ZJUUUORDSA-N 2 2 181.283 1.832 10 0 ADAELP CC[NH2+][C@H](Cc1ccco1)C[NH+](C)C 131582213 573881665 /nfs/dbraw/zinc/88/16/65/573881665.db2.gz YOHAJNWWTCSUTM-SNVBAGLBSA-N 2 2 196.294 1.362 10 0 ADAELP CCC[C@@H]([NH3+])C[NH2+]Cc1cncs1 131583030 573882258 /nfs/dbraw/zinc/88/22/58/573882258.db2.gz KNLIHLYSWNDJCZ-MRVPVSSYSA-N 2 2 199.323 1.360 10 0 ADAELP CCc1c[nH+]c(CC(C)(C)C[NH3+])[nH]1 258985634 573882663 /nfs/dbraw/zinc/88/26/63/573882663.db2.gz AHRPEKNRAPIRMD-UHFFFAOYSA-N 2 2 181.283 1.500 10 0 ADAELP CCCc1c[nH]c(C2(C[NH3+])CC2)[nH+]1 258985678 573882704 /nfs/dbraw/zinc/88/27/04/573882704.db2.gz AITOMOUHAXLLHN-UHFFFAOYSA-N 2 2 179.267 1.353 10 0 ADAELP CC[NH2+][C@H](Cc1ccoc1)C[NH+](C)C 131581810 573882976 /nfs/dbraw/zinc/88/29/76/573882976.db2.gz GXNCQWBGNOKABS-LLVKDONJSA-N 2 2 196.294 1.362 10 0 ADAELP [NH3+]CCCCC1=[NH+]CCS1 238556102 573884792 /nfs/dbraw/zinc/88/47/92/573884792.db2.gz OVGRFQZOGLLELA-UHFFFAOYSA-N 2 2 158.270 1.261 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1(C)C 259219818 573886653 /nfs/dbraw/zinc/88/66/53/573886653.db2.gz CYAGBIOZIDZDJE-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1(C)C 259219818 573886656 /nfs/dbraw/zinc/88/66/56/573886656.db2.gz CYAGBIOZIDZDJE-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CCCc1c[nH]c(CC[NH2+]C)[nH+]1 84428726 573886992 /nfs/dbraw/zinc/88/69/92/573886992.db2.gz ULVKCAPEYXEELF-UHFFFAOYSA-N 2 2 167.256 1.124 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 259219821 573887062 /nfs/dbraw/zinc/88/70/62/573887062.db2.gz CYAGBIOZIDZDJE-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])C1(C)C 259219821 573887067 /nfs/dbraw/zinc/88/70/67/573887067.db2.gz CYAGBIOZIDZDJE-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP [NH3+]CCCc1[nH]cc(-c2cc[nH]c2)[nH+]1 259218704 573887392 /nfs/dbraw/zinc/88/73/92/573887392.db2.gz ZDISCJOAWMUUHZ-UHFFFAOYSA-N 2 2 190.250 1.296 10 0 ADAELP C[NH+](C)[C@@H](c1cccs1)C1([NH3+])CC1 259219164 573887674 /nfs/dbraw/zinc/88/76/74/573887674.db2.gz PYTHEUIWJZWNHB-VIFPVBQESA-N 2 2 196.319 1.842 10 0 ADAELP CC(C)[NH2+]CC[NH2+]Cc1cc[nH]c1 258986697 573887864 /nfs/dbraw/zinc/88/78/64/573887864.db2.gz VLNCWWFBTPHCIM-UHFFFAOYSA-N 2 2 181.283 1.102 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CC[C@@H](F)C1 689863692 573887999 /nfs/dbraw/zinc/88/79/99/573887999.db2.gz YNJWUZDWWARZMP-IVZWLZJFSA-N 2 2 188.290 1.404 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CC[C@@H](F)C1 689863692 573888001 /nfs/dbraw/zinc/88/80/01/573888001.db2.gz YNJWUZDWWARZMP-IVZWLZJFSA-N 2 2 188.290 1.404 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+](C)Cc1cc[nH]c1 258986223 573888710 /nfs/dbraw/zinc/88/87/10/573888710.db2.gz YSCGYPFVCJHHAU-UHFFFAOYSA-N 2 2 195.310 1.445 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+](C)Cc1cc[nH]c1 258986223 573888714 /nfs/dbraw/zinc/88/87/14/573888714.db2.gz YSCGYPFVCJHHAU-UHFFFAOYSA-N 2 2 195.310 1.445 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@@H+]1C1CCCC1 84447644 573894607 /nfs/dbraw/zinc/89/46/07/573894607.db2.gz ZPYZCTRPQOAJJS-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)Cc1c[nH+]c(C[C@@H](C)C[NH3+])[nH]1 259221117 573891716 /nfs/dbraw/zinc/89/17/16/573891716.db2.gz ZJUVQPNZCXZYRI-SECBINFHSA-N 2 2 195.310 1.746 10 0 ADAELP C[C@H]([N@@H+]1CCC[NH2+]CC1)C1(C)CC1 87364810 573891808 /nfs/dbraw/zinc/89/18/08/573891808.db2.gz LVDXUFPGVMSHKT-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]([N@H+]1CCC[NH2+]CC1)C1(C)CC1 87364810 573891815 /nfs/dbraw/zinc/89/18/15/573891815.db2.gz LVDXUFPGVMSHKT-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CCCc1ccc([C@](C)([NH3+])C[NH3+])cc1 258988360 573891979 /nfs/dbraw/zinc/89/19/79/573891979.db2.gz FRCFUBTUVALOBR-GFCCVEGCSA-N 2 2 192.306 1.772 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+]2CCCC[C@@H]2[C@@H]1[NH3+] 238181078 573892081 /nfs/dbraw/zinc/89/20/81/573892081.db2.gz QXFLYURCYWFZNU-QJPTWQEYSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@@H]1CC[N@H+]2CCCC[C@@H]2[C@@H]1[NH3+] 238181078 573892086 /nfs/dbraw/zinc/89/20/86/573892086.db2.gz QXFLYURCYWFZNU-QJPTWQEYSA-N 2 2 196.338 1.844 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCC1 84447641 573892519 /nfs/dbraw/zinc/89/25/19/573892519.db2.gz ZPYZCTRPQOAJJS-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCC1 84447641 573892525 /nfs/dbraw/zinc/89/25/25/573892525.db2.gz ZPYZCTRPQOAJJS-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@@H+]1CCC[C@H]([NH2+]C)C1(C)C 259222600 573892700 /nfs/dbraw/zinc/89/27/00/573892700.db2.gz DAWRPPROQMRXRY-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1CCC[C@H]([NH2+]C)C1(C)C 259222600 573892705 /nfs/dbraw/zinc/89/27/05/573892705.db2.gz DAWRPPROQMRXRY-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP [NH3+]C1(C[NH2+]Cc2cncs2)CCC1 131619131 573892736 /nfs/dbraw/zinc/89/27/36/573892736.db2.gz IXCNRFVSENODRQ-UHFFFAOYSA-N 2 2 197.307 1.114 10 0 ADAELP CCc1ccc([C@H]([NH3+])C2([NH3+])CC2)cc1 259223510 573892761 /nfs/dbraw/zinc/89/27/61/573892761.db2.gz FGKZWWGJESEPQB-NSHDSACASA-N 2 2 190.290 1.740 10 0 ADAELP CCCc1ccc([C@@](C)([NH3+])C[NH3+])cc1 258988363 573892800 /nfs/dbraw/zinc/89/28/00/573892800.db2.gz FRCFUBTUVALOBR-LBPRGKRZSA-N 2 2 192.306 1.772 10 0 ADAELP CC(C)c1[nH]c(CC[NH3+])[nH+]c1C1CC1 257894825 573892856 /nfs/dbraw/zinc/89/28/56/573892856.db2.gz XTQCOKPALGQUBN-UHFFFAOYSA-N 2 2 193.294 1.912 10 0 ADAELP CC(C)c1[nH+]c(CC[NH3+])[nH]c1C1CC1 257894825 573892860 /nfs/dbraw/zinc/89/28/60/573892860.db2.gz XTQCOKPALGQUBN-UHFFFAOYSA-N 2 2 193.294 1.912 10 0 ADAELP CCC[N@@H+]1CCC[C@@H]([NH2+]C)C1(C)C 259222604 573892861 /nfs/dbraw/zinc/89/28/61/573892861.db2.gz DAWRPPROQMRXRY-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1CCC[C@@H]([NH2+]C)C1(C)C 259222604 573892865 /nfs/dbraw/zinc/89/28/65/573892865.db2.gz DAWRPPROQMRXRY-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H]1C[N@@H+](C2CC2)CCC1(C)C 259223142 573892939 /nfs/dbraw/zinc/89/29/39/573892939.db2.gz KLJIZUGSEPLZTE-JTQLQIEISA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@H]1C[N@H+](C2CC2)CCC1(C)C 259223142 573892944 /nfs/dbraw/zinc/89/29/44/573892944.db2.gz KLJIZUGSEPLZTE-JTQLQIEISA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+]C(C)(C)C[NH2+]Cc1cncs1 131596063 573892977 /nfs/dbraw/zinc/89/29/77/573892977.db2.gz BPTUOUJNCGBWBF-UHFFFAOYSA-N 2 2 199.323 1.231 10 0 ADAELP C[N@H+](CC[NH2+]CC1CC1)C1CCC1 127530543 573894310 /nfs/dbraw/zinc/89/43/10/573894310.db2.gz PEYXQGHRLUVIOB-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+](CC[NH2+]CC1CC1)C1CCC1 127530543 573894314 /nfs/dbraw/zinc/89/43/14/573894314.db2.gz PEYXQGHRLUVIOB-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP [NH3+]C[C@H]1[NH2+]CCc2cc(Cl)ccc21 257895001 573894581 /nfs/dbraw/zinc/89/45/81/573894581.db2.gz XWSIGODIWNXXGL-SNVBAGLBSA-N 2 2 196.681 1.486 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@H+]1C1CCCC1 84447644 573894611 /nfs/dbraw/zinc/89/46/11/573894611.db2.gz ZPYZCTRPQOAJJS-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]([NH3+])CCc1[nH]c(C2CCC2)c[nH+]1 258993416 573894751 /nfs/dbraw/zinc/89/47/51/573894751.db2.gz BHERPLDLKGEIGE-QMMMGPOBSA-N 2 2 193.294 1.957 10 0 ADAELP C[NH2+]C(C)(C)C[NH2+]Cc1cc[nH]c1 258993479 573899930 /nfs/dbraw/zinc/89/99/30/573899930.db2.gz ZJLRCEGXMWQLSV-UHFFFAOYSA-N 2 2 181.283 1.102 10 0 ADAELP [NH3+]CC1CC(Oc2cc[nH+]cc2)C1 84451246 573900152 /nfs/dbraw/zinc/90/01/52/573900152.db2.gz OZJBCIJAELAKMS-UHFFFAOYSA-N 2 2 178.235 1.198 10 0 ADAELP c1ccc(-n2cc[nH+]c2C2C[NH2+]C2)cc1 308778268 573900097 /nfs/dbraw/zinc/90/00/97/573900097.db2.gz BHUGLDVYRBQAIQ-UHFFFAOYSA-N 2 2 199.257 1.559 10 0 ADAELP C[NH2+]C[NH2+]CC(C)(C)CC(C)C 258991785 573899584 /nfs/dbraw/zinc/89/95/84/573899584.db2.gz ZFGLXDVFRASMMH-UHFFFAOYSA-N 2 2 172.316 1.825 10 0 ADAELP C[N@@H+]1CCC[C@@H]2CC(C)(C)[NH2+][C@H]2C1 76607474 573899509 /nfs/dbraw/zinc/89/95/09/573899509.db2.gz ZUGLYQMHBXERGL-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CCC[C@@H]2CC(C)(C)[NH2+][C@H]2C1 76607474 573899514 /nfs/dbraw/zinc/89/95/14/573899514.db2.gz ZUGLYQMHBXERGL-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP CN(CC1CC([NH3+])C1)c1cccc[nH+]1 84454805 573900146 /nfs/dbraw/zinc/90/01/46/573900146.db2.gz AQIGKCPSFGMZOB-UHFFFAOYSA-N 2 2 191.278 1.255 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+](C)C(C)(C)C 258998497 573901767 /nfs/dbraw/zinc/90/17/67/573901767.db2.gz ZZSUBWASKZIDEA-UHFFFAOYSA-N 2 2 172.316 1.715 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+](C)C(C)(C)C 258998497 573901773 /nfs/dbraw/zinc/90/17/73/573901773.db2.gz ZZSUBWASKZIDEA-UHFFFAOYSA-N 2 2 172.316 1.715 10 0 ADAELP CC[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH2+]C 44471881 573904032 /nfs/dbraw/zinc/90/40/32/573904032.db2.gz VZDQKRJDCZUFDV-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH2+]C 44471881 573904038 /nfs/dbraw/zinc/90/40/38/573904038.db2.gz VZDQKRJDCZUFDV-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@](C)([NH3+])C[NH2+]Cc1cncs1 131573118 573903581 /nfs/dbraw/zinc/90/35/81/573903581.db2.gz RQRBOAZYLXDSIK-SECBINFHSA-N 2 2 199.323 1.360 10 0 ADAELP CC[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH2+]C 44471884 573903583 /nfs/dbraw/zinc/90/35/83/573903583.db2.gz VZDQKRJDCZUFDV-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1CCCC[N@H+]1C[C@@H](C)[NH2+]C 44471884 573903587 /nfs/dbraw/zinc/90/35/87/573903587.db2.gz VZDQKRJDCZUFDV-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[N@H+]1C[C@H](C(F)(F)F)[C@@H]([NH3+])C1 642821643 573903924 /nfs/dbraw/zinc/90/39/24/573903924.db2.gz ZPFRLEPRKFJTNV-BQBZGAKWSA-N 2 2 196.216 1.216 10 0 ADAELP CC(C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H]([NH3+])C1 642821643 573903926 /nfs/dbraw/zinc/90/39/26/573903926.db2.gz ZPFRLEPRKFJTNV-BQBZGAKWSA-N 2 2 196.216 1.216 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@@H+](C)C[C@@H](C)[NH3+] 393568954 573904982 /nfs/dbraw/zinc/90/49/82/573904982.db2.gz ZMCMBNDHSNHYDL-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[NH2+]CC[N@H+](CCC)C1CC1 44380730 573905945 /nfs/dbraw/zinc/90/59/45/573905945.db2.gz PELPVJLNIKLJDX-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@H+](C)C[C@@H](C)[NH3+] 393568954 573904976 /nfs/dbraw/zinc/90/49/76/573904976.db2.gz ZMCMBNDHSNHYDL-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+][C@H](c1ccc(C)o1)C1([NH3+])CC1 259229928 573905069 /nfs/dbraw/zinc/90/50/69/573905069.db2.gz MQDWSMGDQVNEJK-SECBINFHSA-N 2 2 180.251 1.340 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@H+](C)C[C@H](C)[NH3+] 393568949 573905225 /nfs/dbraw/zinc/90/52/25/573905225.db2.gz ZMCMBNDHSNHYDL-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@@H+](C)C[C@H](C)[NH3+] 393568949 573905229 /nfs/dbraw/zinc/90/52/29/573905229.db2.gz ZMCMBNDHSNHYDL-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CCc1ccc(C[NH2+]C(C)(C)C[NH3+])o1 308461999 573905346 /nfs/dbraw/zinc/90/53/46/573905346.db2.gz GPYPXFSLUTWRPV-UHFFFAOYSA-N 2 2 196.294 1.669 10 0 ADAELP Cc1cc[nH+]cc1NC[C@H]1CCC[NH2+]1 235786902 573905382 /nfs/dbraw/zinc/90/53/82/573905382.db2.gz GKZDGVHRPPKWPT-SNVBAGLBSA-N 2 2 191.278 1.554 10 0 ADAELP CC[C@H](C[NH3+])[NH+]1Cc2ccccc2C1 84535093 573905389 /nfs/dbraw/zinc/90/53/89/573905389.db2.gz UJLHKUSSSKNNJB-GFCCVEGCSA-N 2 2 190.290 1.740 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@H+](C)C1CCC1 127535218 573905437 /nfs/dbraw/zinc/90/54/37/573905437.db2.gz VDMMCPSROYMNAA-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCC1 127535218 573905443 /nfs/dbraw/zinc/90/54/43/573905443.db2.gz VDMMCPSROYMNAA-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@H+](C)C1CCC1 127535445 573905702 /nfs/dbraw/zinc/90/57/02/573905702.db2.gz VDMMCPSROYMNAA-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]CC[N@@H+](C)C1CCC1 127535445 573905704 /nfs/dbraw/zinc/90/57/04/573905704.db2.gz VDMMCPSROYMNAA-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+](C[C@H](C)[NH2+]C)C1CCCC1 44471983 573905900 /nfs/dbraw/zinc/90/59/00/573905900.db2.gz SKAVQGKNTGZQTH-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+](C[C@H](C)[NH2+]C)C1CCCC1 44471983 573905904 /nfs/dbraw/zinc/90/59/04/573905904.db2.gz SKAVQGKNTGZQTH-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+]CC[N@@H+](CCC)C1CC1 44380730 573905951 /nfs/dbraw/zinc/90/59/51/573905951.db2.gz PELPVJLNIKLJDX-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCC1(CC)C[NH2+]C[C@H]2CCC[N@H+]21 238193551 573908307 /nfs/dbraw/zinc/90/83/07/573908307.db2.gz CZNVVGNXNLQJSD-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H](C[NH3+])[NH+]1Cc2ccccc2C1 84535092 573907839 /nfs/dbraw/zinc/90/78/39/573907839.db2.gz UJLHKUSSSKNNJB-LBPRGKRZSA-N 2 2 190.290 1.740 10 0 ADAELP CCN(C[C@@H](C)C[NH3+])c1cccc[nH+]1 44413159 573907753 /nfs/dbraw/zinc/90/77/53/573907753.db2.gz LJYUZDLMTGPQAA-JTQLQIEISA-N 2 2 193.294 1.503 10 0 ADAELP C[C@H]([NH3+])c1cnc([C@H]2CCC[N@@H+]2C)o1 257896610 573907819 /nfs/dbraw/zinc/90/78/19/573907819.db2.gz BMPPNLJUZHSVOQ-JGVFFNPUSA-N 2 2 195.266 1.461 10 0 ADAELP C[C@H]([NH3+])c1cnc([C@H]2CCC[N@H+]2C)o1 257896610 573907823 /nfs/dbraw/zinc/90/78/23/573907823.db2.gz BMPPNLJUZHSVOQ-JGVFFNPUSA-N 2 2 195.266 1.461 10 0 ADAELP c1cn(CC[NH2+]CC2CCCC2)c[nH+]1 44385559 573907883 /nfs/dbraw/zinc/90/78/83/573907883.db2.gz VXGQCZIBMVKIDP-UHFFFAOYSA-N 2 2 193.294 1.663 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 44381187 573907975 /nfs/dbraw/zinc/90/79/75/573907975.db2.gz AGJZJGAAWOLPDF-SNVBAGLBSA-N 2 2 170.300 1.328 10 0 ADAELP CCC[NH2+]CC[N@H+]1CC[C@@H](C)C1 44381187 573907979 /nfs/dbraw/zinc/90/79/79/573907979.db2.gz AGJZJGAAWOLPDF-SNVBAGLBSA-N 2 2 170.300 1.328 10 0 ADAELP CC[N@H+](C[C@@H](C)[NH2+]C)C1CCCC1 44471980 573908163 /nfs/dbraw/zinc/90/81/63/573908163.db2.gz SKAVQGKNTGZQTH-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+](C[C@@H](C)[NH2+]C)C1CCCC1 44471980 573908168 /nfs/dbraw/zinc/90/81/68/573908168.db2.gz SKAVQGKNTGZQTH-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCN(C[C@H](C)C[NH3+])c1cccc[nH+]1 44413161 573908177 /nfs/dbraw/zinc/90/81/77/573908177.db2.gz LJYUZDLMTGPQAA-SNVBAGLBSA-N 2 2 193.294 1.503 10 0 ADAELP CCC1(CC)C[NH2+]C[C@H]2CCC[N@@H+]21 238193551 573908302 /nfs/dbraw/zinc/90/83/02/573908302.db2.gz CZNVVGNXNLQJSD-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[NH+](C)CCCCNc1cccc[nH+]1 41675519 573909320 /nfs/dbraw/zinc/90/93/20/573909320.db2.gz UWUGMKHUXYHATK-UHFFFAOYSA-N 2 2 193.294 1.835 10 0 ADAELP [NH3+][C@@H]1CCC[N@H+]2CCC[C@H]2C1(F)F 257896921 573909364 /nfs/dbraw/zinc/90/93/64/573909364.db2.gz YBPIWLQNEGFHDE-SFYZADRCSA-N 2 2 190.237 1.207 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 41664129 573909374 /nfs/dbraw/zinc/90/93/74/573909374.db2.gz KRHXXNOEGGWOAM-GARJFASQSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 41664129 573909380 /nfs/dbraw/zinc/90/93/80/573909380.db2.gz KRHXXNOEGGWOAM-GARJFASQSA-N 2 2 182.311 1.598 10 0 ADAELP CC[NH2+][C@H](C)C[N@H+](C)[C@@H](C)C(C)C 44472042 573909452 /nfs/dbraw/zinc/90/94/52/573909452.db2.gz RJPJNXFILOCUMA-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[NH2+][C@H](C)C[N@@H+](C)[C@@H](C)C(C)C 44472042 573909458 /nfs/dbraw/zinc/90/94/58/573909458.db2.gz RJPJNXFILOCUMA-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP C[NH2+][C@H](C)C[N@H+](CC(C)C)C(C)C 44472491 573909595 /nfs/dbraw/zinc/90/95/95/573909595.db2.gz QAYPZIBOKVHCDV-LLVKDONJSA-N 2 2 186.343 1.961 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+](CC(C)C)C(C)C 44472491 573909599 /nfs/dbraw/zinc/90/95/99/573909599.db2.gz QAYPZIBOKVHCDV-LLVKDONJSA-N 2 2 186.343 1.961 10 0 ADAELP CCC[NH2+]CC[N@H+](C)CCC 44380735 573909700 /nfs/dbraw/zinc/90/97/00/573909700.db2.gz UUOZFGSGRLIPMO-UHFFFAOYSA-N 2 2 158.289 1.328 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)CCC 44380735 573909705 /nfs/dbraw/zinc/90/97/05/573909705.db2.gz UUOZFGSGRLIPMO-UHFFFAOYSA-N 2 2 158.289 1.328 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CC[C@H](C)C1 44381182 573909741 /nfs/dbraw/zinc/90/97/41/573909741.db2.gz AGJZJGAAWOLPDF-JTQLQIEISA-N 2 2 170.300 1.328 10 0 ADAELP CCC[NH2+]CC[N@H+]1CC[C@H](C)C1 44381182 573909748 /nfs/dbraw/zinc/90/97/48/573909748.db2.gz AGJZJGAAWOLPDF-JTQLQIEISA-N 2 2 170.300 1.328 10 0 ADAELP C[C@@H]([NH3+])c1cnc([C@H]2CCC[N@H+]2C)o1 257896609 573911664 /nfs/dbraw/zinc/91/16/64/573911664.db2.gz BMPPNLJUZHSVOQ-HTQZYQBOSA-N 2 2 195.266 1.461 10 0 ADAELP C[C@H](CN(C)c1cccc[nH+]1)C(N)=[NH2+] 44413541 573911568 /nfs/dbraw/zinc/91/15/68/573911568.db2.gz SCRUMEAKSOYULB-MRVPVSSYSA-N 2 2 192.266 1.090 10 0 ADAELP CC[C@H](CNc1cccc[nH+]1)C[NH2+]C 259003521 573911637 /nfs/dbraw/zinc/91/16/37/573911637.db2.gz OAHPQWRPSNUHIL-JTQLQIEISA-N 2 2 193.294 1.739 10 0 ADAELP C[C@@H]([NH3+])c1cnc([C@H]2CCC[N@@H+]2C)o1 257896609 573911658 /nfs/dbraw/zinc/91/16/58/573911658.db2.gz BMPPNLJUZHSVOQ-HTQZYQBOSA-N 2 2 195.266 1.461 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1Cc1ccccc1 76634740 573912780 /nfs/dbraw/zinc/91/27/80/573912780.db2.gz HIMRPNVGMLWXDM-NEPJUHHUSA-N 2 2 190.290 1.261 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@H+](C)C1CCCC1 123069344 573917593 /nfs/dbraw/zinc/91/75/93/573917593.db2.gz RKINGCKAKJOCAB-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C 44561994 573915653 /nfs/dbraw/zinc/91/56/53/573915653.db2.gz NUQBZHWXVPCOAJ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[NH2+]C[C@@H]1CCCC[N@H+]1C 44561994 573915659 /nfs/dbraw/zinc/91/56/59/573915659.db2.gz NUQBZHWXVPCOAJ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP Cc1ccc([C@@](C)([NH3+])C[NH3+])c(C)c1 259006886 573916273 /nfs/dbraw/zinc/91/62/73/573916273.db2.gz HJLGIWAOEDQBMN-NSHDSACASA-N 2 2 178.279 1.436 10 0 ADAELP CC(C)C[NH2+]C[C@H]1CCCC[N@@H+]1C 44561995 573917351 /nfs/dbraw/zinc/91/73/51/573917351.db2.gz NUQBZHWXVPCOAJ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[NH2+]C[C@H]1CCCC[N@H+]1C 44561995 573917356 /nfs/dbraw/zinc/91/73/56/573917356.db2.gz NUQBZHWXVPCOAJ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@@H+](C)C1CCCC1 123069344 573917599 /nfs/dbraw/zinc/91/75/99/573917599.db2.gz RKINGCKAKJOCAB-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@H+](C)C1CCCC1 123069626 573917664 /nfs/dbraw/zinc/91/76/64/573917664.db2.gz RKINGCKAKJOCAB-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@@H+](C)C1CCCC1 123069626 573917677 /nfs/dbraw/zinc/91/76/77/573917677.db2.gz RKINGCKAKJOCAB-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C 44562116 573917816 /nfs/dbraw/zinc/91/78/16/573917816.db2.gz AJMWIGOHGCLISI-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C 44562116 573917822 /nfs/dbraw/zinc/91/78/22/573917822.db2.gz AJMWIGOHGCLISI-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP [NH3+]Cc1ccoc1C[N@@H+]1CC[C@H](F)C1 689870288 573917883 /nfs/dbraw/zinc/91/78/83/573917883.db2.gz OVBAPXZARZTQNQ-VIFPVBQESA-N 2 2 198.241 1.282 10 0 ADAELP [NH3+]Cc1ccoc1C[N@H+]1CC[C@H](F)C1 689870288 573917887 /nfs/dbraw/zinc/91/78/87/573917887.db2.gz OVBAPXZARZTQNQ-VIFPVBQESA-N 2 2 198.241 1.282 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C 44562118 573918075 /nfs/dbraw/zinc/91/80/75/573918075.db2.gz AJMWIGOHGCLISI-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C 44562118 573918081 /nfs/dbraw/zinc/91/80/81/573918081.db2.gz AJMWIGOHGCLISI-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP [NH3+]Cc1ccoc1C[N@@H+]1CC[C@@H](F)C1 689870286 573919217 /nfs/dbraw/zinc/91/92/17/573919217.db2.gz OVBAPXZARZTQNQ-SECBINFHSA-N 2 2 198.241 1.282 10 0 ADAELP CCC[NH2+]CC[NH2+]CCc1ccco1 44651745 573919231 /nfs/dbraw/zinc/91/92/31/573919231.db2.gz PCTQBQHTDVGIKS-UHFFFAOYSA-N 2 2 196.294 1.411 10 0 ADAELP [NH3+]Cc1ccoc1C[N@H+]1CC[C@@H](F)C1 689870286 573919233 /nfs/dbraw/zinc/91/92/33/573919233.db2.gz OVBAPXZARZTQNQ-SECBINFHSA-N 2 2 198.241 1.282 10 0 ADAELP Cc1ccc([C@](C)([NH3+])C[NH3+])c(C)c1 259006880 573919235 /nfs/dbraw/zinc/91/92/35/573919235.db2.gz HJLGIWAOEDQBMN-LLVKDONJSA-N 2 2 178.279 1.436 10 0 ADAELP Cc1[nH+]c(C(C)C)[nH]c1C1C[NH2+]C1 257899337 573919732 /nfs/dbraw/zinc/91/97/32/573919732.db2.gz OQRFFGWSIBUYPC-UHFFFAOYSA-N 2 2 179.267 1.528 10 0 ADAELP Cc1[nH]c(C(C)C)[nH+]c1C1C[NH2+]C1 257899337 573919737 /nfs/dbraw/zinc/91/97/37/573919737.db2.gz OQRFFGWSIBUYPC-UHFFFAOYSA-N 2 2 179.267 1.528 10 0 ADAELP CC(C)Cc1c[nH]c([C@H]2CC[NH2+]C2)[nH+]1 257899348 573919782 /nfs/dbraw/zinc/91/97/82/573919782.db2.gz YLCDOFIFUMKBDO-VIFPVBQESA-N 2 2 193.294 1.685 10 0 ADAELP C[C@H]1C[N@H+](CC2(C)CCC2)CCC[NH2+]1 235664132 573921158 /nfs/dbraw/zinc/92/11/58/573921158.db2.gz XOSYZMQBQIRFKO-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[N@@H+](CC2(C)CCC2)CCC[NH2+]1 235664132 573921164 /nfs/dbraw/zinc/92/11/64/573921164.db2.gz XOSYZMQBQIRFKO-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1cc(F)ccc1OC 259238776 573921184 /nfs/dbraw/zinc/92/11/84/573921184.db2.gz HPRMSJXPGIZCDM-VIFPVBQESA-N 2 2 198.241 1.054 10 0 ADAELP C[C@H]([NH3+])C[C@H]1C[NH2+]c2ccc(O)cc21 258182561 573921387 /nfs/dbraw/zinc/92/13/87/573921387.db2.gz STZGPIGCZJDKNU-YUMQZZPRSA-N 2 2 192.262 1.639 10 0 ADAELP C[C@@H]([NH3+])C[C@H]1C[NH2+]c2ccc(O)cc21 258182556 573921772 /nfs/dbraw/zinc/92/17/72/573921772.db2.gz STZGPIGCZJDKNU-SFYZADRCSA-N 2 2 192.262 1.639 10 0 ADAELP C[NH2+]CC[NH+](CC(C)C)CC(C)C 42034644 573921824 /nfs/dbraw/zinc/92/18/24/573921824.db2.gz CWYUSWYIXUVKGQ-UHFFFAOYSA-N 2 2 186.343 1.820 10 0 ADAELP C[C@H]([NH3+])C[C@@H]1C[NH2+]c2ccc(O)cc21 258182553 573921858 /nfs/dbraw/zinc/92/18/58/573921858.db2.gz STZGPIGCZJDKNU-JGVFFNPUSA-N 2 2 192.262 1.639 10 0 ADAELP CC(C)[C@@H]1[NH2+]CC[C@@H]2CCCC[N@H+]21 238189151 573923392 /nfs/dbraw/zinc/92/33/92/573923392.db2.gz YGUAHDVPLPUCAC-WDEREUQCSA-N 2 2 182.311 1.816 10 0 ADAELP CC(C)[C@@H]1[NH2+]CC[C@@H]2CCCC[N@@H+]21 238189151 573923388 /nfs/dbraw/zinc/92/33/88/573923388.db2.gz YGUAHDVPLPUCAC-WDEREUQCSA-N 2 2 182.311 1.816 10 0 ADAELP CC[N@H+](C)C[C@@H]1CCCCC[NH2+]1 81002841 573923224 /nfs/dbraw/zinc/92/32/24/573923224.db2.gz WBTUMMWCRAKTKQ-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CC[N@@H+](C)C[C@@H]1CCCCC[NH2+]1 81002841 573923227 /nfs/dbraw/zinc/92/32/27/573923227.db2.gz WBTUMMWCRAKTKQ-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP C[N@H+](C[C@H]1CCCCC[NH2+]1)C1CC1 81002858 573923252 /nfs/dbraw/zinc/92/32/52/573923252.db2.gz NZNHWCMFFLOJOM-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+](C[C@H]1CCCCC[NH2+]1)C1CC1 81002858 573923256 /nfs/dbraw/zinc/92/32/56/573923256.db2.gz NZNHWCMFFLOJOM-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP c1coc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 42172268 573923304 /nfs/dbraw/zinc/92/33/04/573923304.db2.gz OIZJSDJUUNSPLM-SNVBAGLBSA-N 2 2 194.278 1.511 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@H+](C)C1CCCCC1 123088271 573925121 /nfs/dbraw/zinc/92/51/21/573925121.db2.gz MDWHCOHSBWSQTQ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+](C[C@@H]1CCCCC[NH2+]1)C1CC1 81002855 573924588 /nfs/dbraw/zinc/92/45/88/573924588.db2.gz NZNHWCMFFLOJOM-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+](C[C@@H]1CCCCC[NH2+]1)C1CC1 81002855 573924590 /nfs/dbraw/zinc/92/45/90/573924590.db2.gz NZNHWCMFFLOJOM-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@@H+](C)C1CCCCC1 123088271 573925123 /nfs/dbraw/zinc/92/51/23/573925123.db2.gz MDWHCOHSBWSQTQ-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCn1c(N)c[nH+]c1C[NH+]1CCCC1 257900333 573925221 /nfs/dbraw/zinc/92/52/21/573925221.db2.gz NYYCZQWQUFULMN-UHFFFAOYSA-N 2 2 194.282 1.081 10 0 ADAELP CCCc1ccc([C@H](C[NH3+])[NH2+]C)cc1 259012093 573925448 /nfs/dbraw/zinc/92/54/48/573925448.db2.gz HTXDDKDMMVODHN-LBPRGKRZSA-N 2 2 192.306 1.858 10 0 ADAELP CCCc1ccc([C@@H](C[NH3+])[NH2+]C)cc1 259012088 573926357 /nfs/dbraw/zinc/92/63/57/573926357.db2.gz HTXDDKDMMVODHN-GFCCVEGCSA-N 2 2 192.306 1.858 10 0 ADAELP C[NH2+]CCC[N@H+](C)C/C=C/Cl 87472682 573928477 /nfs/dbraw/zinc/92/84/77/573928477.db2.gz FVCDUSAVDZDFOL-HWKANZROSA-N 2 2 176.691 1.280 10 0 ADAELP C[NH2+]CCC[N@@H+](C)C/C=C/Cl 87472682 573928481 /nfs/dbraw/zinc/92/84/81/573928481.db2.gz FVCDUSAVDZDFOL-HWKANZROSA-N 2 2 176.691 1.280 10 0 ADAELP Cc1[nH+]c(C2CC2)[nH]c1C1C[NH2+]C1 257901449 573927454 /nfs/dbraw/zinc/92/74/54/573927454.db2.gz OYUWFMXHMANGKJ-UHFFFAOYSA-N 2 2 177.251 1.282 10 0 ADAELP Cc1[nH]c(C2CC2)[nH+]c1C1C[NH2+]C1 257901449 573927459 /nfs/dbraw/zinc/92/74/59/573927459.db2.gz OYUWFMXHMANGKJ-UHFFFAOYSA-N 2 2 177.251 1.282 10 0 ADAELP c1coc(C[NH2+]CC[C@@H]2CCC[NH2+]2)c1 42172265 573927745 /nfs/dbraw/zinc/92/77/45/573927745.db2.gz OIZJSDJUUNSPLM-JTQLQIEISA-N 2 2 194.278 1.511 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[NH+]1CCCCCCC1 123099313 573927770 /nfs/dbraw/zinc/92/77/70/573927770.db2.gz DGYJXQCQLVNNST-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+][C@H](c1ccccc1F)C(C)(C)[NH3+] 259585550 573928008 /nfs/dbraw/zinc/92/80/08/573928008.db2.gz WICSOTUOTFIQOD-SNVBAGLBSA-N 2 2 196.269 1.824 10 0 ADAELP C[NH2+][C@@H](c1ccccc1F)C(C)(C)[NH3+] 259585549 573928286 /nfs/dbraw/zinc/92/82/86/573928286.db2.gz WICSOTUOTFIQOD-JTQLQIEISA-N 2 2 196.269 1.824 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[NH+]1CCCCCCC1 123099130 573928420 /nfs/dbraw/zinc/92/84/20/573928420.db2.gz DGYJXQCQLVNNST-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP c1[nH]c(CC2C[NH2+]C2)[nH+]c1C1CC1 257901416 573928807 /nfs/dbraw/zinc/92/88/07/573928807.db2.gz OXUSBIUEUKNMEW-UHFFFAOYSA-N 2 2 177.251 1.049 10 0 ADAELP C[C@@H](C[NH2+]CCCC(F)F)[NH+](C)C 688727243 573928896 /nfs/dbraw/zinc/92/88/96/573928896.db2.gz CHEOAWGBMRNNJG-QMMMGPOBSA-N 2 2 194.269 1.571 10 0 ADAELP CCc1c[nH]c(C2(C[NH2+]C)CCC2)[nH+]1 259015261 573929911 /nfs/dbraw/zinc/92/99/11/573929911.db2.gz DOMQHHVCRMALLU-UHFFFAOYSA-N 2 2 193.294 1.613 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 123090535 573929697 /nfs/dbraw/zinc/92/96/97/573929697.db2.gz PCGPGFXFOBIRCV-WHOHXGKFSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 123090535 573929699 /nfs/dbraw/zinc/92/96/99/573929699.db2.gz PCGPGFXFOBIRCV-WHOHXGKFSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[NH+]1CCCCCC1 123095670 573930766 /nfs/dbraw/zinc/93/07/66/573930766.db2.gz HODGPHYCEAJLKO-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1cccc(C)c1 259585520 573930800 /nfs/dbraw/zinc/93/08/00/573930800.db2.gz WHRULXOMLYJUIF-NSHDSACASA-N 2 2 178.279 1.475 10 0 ADAELP Cc1nc2ccc([C@@H]([NH3+])C[NH3+])cc2o1 259013622 573930855 /nfs/dbraw/zinc/93/08/55/573930855.db2.gz HWZZFSRJSCUWKF-QMMMGPOBSA-N 2 2 191.234 1.095 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H]1C[NH2+]C[C@@H]1C 123102531 573930943 /nfs/dbraw/zinc/93/09/43/573930943.db2.gz UYMVZHBNRLSSFY-WDEREUQCSA-N 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C[C@@H]1C[NH2+]C[C@H]1[N@@H+](C)C1CCCCC1 123088476 573931431 /nfs/dbraw/zinc/93/14/31/573931431.db2.gz MDWHCOHSBWSQTQ-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[NH+]1CCCCCCC1 123099493 573931448 /nfs/dbraw/zinc/93/14/48/573931448.db2.gz DGYJXQCQLVNNST-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[C@H]1[NH2+]CC[C@H]2CCCC[N@H+]12 238199297 573931515 /nfs/dbraw/zinc/93/15/15/573931515.db2.gz YGUAHDVPLPUCAC-MNOVXSKESA-N 2 2 182.311 1.816 10 0 ADAELP CC(C)[C@H]1[NH2+]CC[C@H]2CCCC[N@@H+]12 238199297 573931518 /nfs/dbraw/zinc/93/15/18/573931518.db2.gz YGUAHDVPLPUCAC-MNOVXSKESA-N 2 2 182.311 1.816 10 0 ADAELP CCC[N@@H+](CC[NH2+]CC)C1CC1 42409511 573941913 /nfs/dbraw/zinc/94/19/13/573941913.db2.gz CURJLIYAGAKFCL-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[NH2+][C@@H](C)CC1 81111221 573932643 /nfs/dbraw/zinc/93/26/43/573932643.db2.gz ZADVFXBXMSMSPP-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CC[NH2+][C@@H](C)CC1 81111221 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573934914 /nfs/dbraw/zinc/93/49/14/573934914.db2.gz DSVFJGMSIJYIEY-VWYCJHECSA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[C@@H](C)C[N@@H+]1CCC[NH2+]CC1 81111209 573935049 /nfs/dbraw/zinc/93/50/49/573935049.db2.gz JIFWHQQLJVUXFY-NSHDSACASA-N 2 2 184.327 1.574 10 0 ADAELP CC(C)[C@@H](C)C[N@H+]1CCC[NH2+]CC1 81111209 573935052 /nfs/dbraw/zinc/93/50/52/573935052.db2.gz JIFWHQQLJVUXFY-NSHDSACASA-N 2 2 184.327 1.574 10 0 ADAELP CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c[nH+]c[nH]1 716863070 573935242 /nfs/dbraw/zinc/93/52/42/573935242.db2.gz MLLMIAZOQCQGEE-BDAKNGLRSA-N 2 2 197.282 1.049 10 0 ADAELP CCc1[nH+]c(C)cn1[C@H](C)[C@@H](C)[NH2+]C 715071796 573935358 /nfs/dbraw/zinc/93/53/58/573935358.db2.gz IUFLEIFYUUDDCG-NXEZZACHSA-N 2 2 195.310 1.923 10 0 ADAELP CCc1[nH+]c(C)cn1[C@@H](C)[C@@H](C)[NH2+]C 715071811 573935382 /nfs/dbraw/zinc/93/53/82/573935382.db2.gz IUFLEIFYUUDDCG-ZJUUUORDSA-N 2 2 195.310 1.923 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CCC[NH2+]CC1 81111211 573935477 /nfs/dbraw/zinc/93/54/77/573935477.db2.gz JIFWHQQLJVUXFY-LLVKDONJSA-N 2 2 184.327 1.574 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CCC[NH2+]CC1 81111211 573935481 /nfs/dbraw/zinc/93/54/81/573935481.db2.gz JIFWHQQLJVUXFY-LLVKDONJSA-N 2 2 184.327 1.574 10 0 ADAELP CCOc1ccc([C@](C)([NH3+])C[NH3+])cc1 259017084 573935611 /nfs/dbraw/zinc/93/56/11/573935611.db2.gz IFVZHJNRHBJMIG-LLVKDONJSA-N 2 2 194.278 1.218 10 0 ADAELP CC[N@H+](C1CCCC1)[C@H]1C[NH2+]C[C@@H]1C 123107755 573935649 /nfs/dbraw/zinc/93/56/49/573935649.db2.gz BGNONWKMDCQZMR-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@H]1C[NH2+]C[C@@H]1C 123107755 573935652 /nfs/dbraw/zinc/93/56/52/573935652.db2.gz BGNONWKMDCQZMR-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H]1C[NH2+]C[C@@H]1C 123110934 573935677 /nfs/dbraw/zinc/93/56/77/573935677.db2.gz DSVFJGMSIJYIEY-DCAQKATOSA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H]1C[NH2+]C[C@@H]1C 123110934 573935683 /nfs/dbraw/zinc/93/56/83/573935683.db2.gz DSVFJGMSIJYIEY-DCAQKATOSA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CCC[C@H]([NH3+])C1 81152326 573935689 /nfs/dbraw/zinc/93/56/89/573935689.db2.gz ACCZGONWTKTTQP-MNOVXSKESA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CCC[C@H]([NH3+])C1 81152326 573935694 /nfs/dbraw/zinc/93/56/94/573935694.db2.gz ACCZGONWTKTTQP-MNOVXSKESA-N 2 2 184.327 1.702 10 0 ADAELP CCc1[nH+]c(C)cn1[C@@H](C)[C@H](C)[NH2+]C 715071799 573935711 /nfs/dbraw/zinc/93/57/11/573935711.db2.gz IUFLEIFYUUDDCG-UWVGGRQHSA-N 2 2 195.310 1.923 10 0 ADAELP CCc1[nH]c(CC[NH3+])[nH+]c1C1CC1 257905071 573935792 /nfs/dbraw/zinc/93/57/92/573935792.db2.gz PNVWUOLIGGOWEU-UHFFFAOYSA-N 2 2 179.267 1.351 10 0 ADAELP CCc1[nH+]c(CC[NH3+])[nH]c1C1CC1 257905071 573935796 /nfs/dbraw/zinc/93/57/96/573935796.db2.gz PNVWUOLIGGOWEU-UHFFFAOYSA-N 2 2 179.267 1.351 10 0 ADAELP CC[C@H](C)[C@H](C[N@H+](C)C1CC1)[NH2+]C 87528147 573935938 /nfs/dbraw/zinc/93/59/38/573935938.db2.gz QLBJZONJTBESMM-ONGXEEELSA-N 2 2 184.327 1.715 10 0 ADAELP 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/nfs/dbraw/zinc/94/52/58/573945258.db2.gz IROZDDCCIINRQQ-UHFFFAOYSA-N 2 2 183.082 1.244 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 223594804 573949027 /nfs/dbraw/zinc/94/90/27/573949027.db2.gz FUHQVDZFQNMMFV-DBIOUOCHSA-N 2 2 182.311 1.467 10 0 ADAELP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 223594804 573949029 /nfs/dbraw/zinc/94/90/29/573949029.db2.gz FUHQVDZFQNMMFV-DBIOUOCHSA-N 2 2 182.311 1.467 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C2(C)CC2)[nH]1 87554073 573949050 /nfs/dbraw/zinc/94/90/50/573949050.db2.gz SBJGPPMDHVSNIX-UHFFFAOYSA-N 2 2 165.240 1.181 10 0 ADAELP CC(C)C[C@H](C)[N@H+](C)[C@H]1C[NH2+]C[C@H]1C 123166783 573949282 /nfs/dbraw/zinc/94/92/82/573949282.db2.gz DGKYLOCOKLXBSD-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)C[C@H](C)[N@@H+](C)[C@H]1C[NH2+]C[C@H]1C 123166783 573949287 /nfs/dbraw/zinc/94/92/87/573949287.db2.gz DGKYLOCOKLXBSD-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP [NH3+][C@@H](c1cccs1)C1([NH3+])CC1 259587174 573949306 /nfs/dbraw/zinc/94/93/06/573949306.db2.gz WKIBSVGFIWYXMR-ZETCQYMHSA-N 2 2 168.265 1.239 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 123168578 573949339 /nfs/dbraw/zinc/94/93/39/573949339.db2.gz CDUHVFFJIHBKIG-MXWKQRLJSA-N 2 2 194.322 1.611 10 0 ADAELP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 123168578 573949344 /nfs/dbraw/zinc/94/93/44/573949344.db2.gz CDUHVFFJIHBKIG-MXWKQRLJSA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)(C)c1c[nH]c(CC2C[NH2+]C2)[nH+]1 257907721 573950459 /nfs/dbraw/zinc/95/04/59/573950459.db2.gz ZSEKNUAOSUMSHZ-UHFFFAOYSA-N 2 2 193.294 1.469 10 0 ADAELP CC(C)c1c[nH]c(CC(C)(C)[NH3+])[nH+]1 259024140 573950198 /nfs/dbraw/zinc/95/01/98/573950198.db2.gz FRHGNDKZTSXUPC-UHFFFAOYSA-N 2 2 181.283 1.813 10 0 ADAELP C/C=C\C[N@H+](C)[C@@H]1CCC[NH2+]C1 215440363 573950227 /nfs/dbraw/zinc/95/02/27/573950227.db2.gz KBKCXHUPNSKVDM-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C\C[N@@H+](C)[C@@H]1CCC[NH2+]C1 215440363 573950231 /nfs/dbraw/zinc/95/02/31/573950231.db2.gz KBKCXHUPNSKVDM-UMBAGQNISA-N 2 2 168.284 1.246 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 45135304 573950628 /nfs/dbraw/zinc/95/06/28/573950628.db2.gz WUHAYGYUAYTZTL-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 45135304 573950635 /nfs/dbraw/zinc/95/06/35/573950635.db2.gz WUHAYGYUAYTZTL-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](CC)Cc1ccco1 42446029 573952655 /nfs/dbraw/zinc/95/26/55/573952655.db2.gz DXVHKZLFWCNERX-SNVBAGLBSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](CC)Cc1ccco1 42446029 573952660 /nfs/dbraw/zinc/95/26/60/573952660.db2.gz DXVHKZLFWCNERX-SNVBAGLBSA-N 2 2 196.294 1.839 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@@H](C)[C@H]1C 123178960 573952914 /nfs/dbraw/zinc/95/29/14/573952914.db2.gz KGGIZGRWFIHJMG-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@@H](C)[C@H]1C 123178960 573952920 /nfs/dbraw/zinc/95/29/20/573952920.db2.gz KGGIZGRWFIHJMG-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@H](C[NH3+])[N@H+](C)Cc1ccoc1C 42449314 573952925 /nfs/dbraw/zinc/95/29/25/573952925.db2.gz CWVISQDTUSGIRR-LLVKDONJSA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+](C)Cc1ccoc1C 42449314 573952928 /nfs/dbraw/zinc/95/29/28/573952928.db2.gz CWVISQDTUSGIRR-LLVKDONJSA-N 2 2 196.294 1.757 10 0 ADAELP C[N@H+](C[Si](C)(C)C)[C@H]1CC[NH2+]C1 401698345 573953016 /nfs/dbraw/zinc/95/30/16/573953016.db2.gz XGTDYNDVSZCMQJ-VIFPVBQESA-N 2 2 186.375 1.158 10 0 ADAELP C[N@@H+](C[Si](C)(C)C)[C@H]1CC[NH2+]C1 401698345 573953020 /nfs/dbraw/zinc/95/30/20/573953020.db2.gz XGTDYNDVSZCMQJ-VIFPVBQESA-N 2 2 186.375 1.158 10 0 ADAELP CC(C)[C@H](C[NH3+])[N@@H+](C)Cc1ccoc1 42448175 573954064 /nfs/dbraw/zinc/95/40/64/573954064.db2.gz NGOTYIHZQMNLBG-NSHDSACASA-N 2 2 196.294 1.695 10 0 ADAELP CCC1CC[NH+](CC[NH2+]C2CC2)CC1 42447301 573954115 /nfs/dbraw/zinc/95/41/15/573954115.db2.gz QLKFYBNLNLFZEO-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@](C)(C[NH3+])[N@H+](C)Cc1ccoc1 42447991 573954249 /nfs/dbraw/zinc/95/42/49/573954249.db2.gz VECZNCIMZOVVKW-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccoc1 42447991 573954254 /nfs/dbraw/zinc/95/42/54/573954254.db2.gz VECZNCIMZOVVKW-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1ccc(F)cc1 259252105 573956317 /nfs/dbraw/zinc/95/63/17/573956317.db2.gz IEOPRHSHQOCMHM-JTQLQIEISA-N 2 2 182.242 1.435 10 0 ADAELP CC1(C)C[C@@H]1[NH2+]CC[NH2+]C1CC1 45137946 573956553 /nfs/dbraw/zinc/95/65/53/573956553.db2.gz TVFYUFINIYHRHG-VIFPVBQESA-N 2 2 168.284 1.127 10 0 ADAELP CCC[N@H+](CC1CC1)C[C@@H]1CCC[NH2+]1 42491159 573958045 /nfs/dbraw/zinc/95/80/45/573958045.db2.gz JHMMRYNDNCNLDP-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]1 42491159 573958053 /nfs/dbraw/zinc/95/80/53/573958053.db2.gz JHMMRYNDNCNLDP-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@@H+]1CCCC1(C)C 123208582 573958387 /nfs/dbraw/zinc/95/83/87/573958387.db2.gz YOBZHQFBQHGSHQ-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@H+]1CCCC1(C)C 123208582 573958391 /nfs/dbraw/zinc/95/83/91/573958391.db2.gz YOBZHQFBQHGSHQ-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CCCC1(C)C 123208371 573960622 /nfs/dbraw/zinc/96/06/22/573960622.db2.gz YOBZHQFBQHGSHQ-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CCCC1(C)C 123208371 573960626 /nfs/dbraw/zinc/96/06/26/573960626.db2.gz YOBZHQFBQHGSHQ-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[N@@H+](CC1CC1)C[C@@H]([NH3+])CC 42491195 573959667 /nfs/dbraw/zinc/95/96/67/573959667.db2.gz WOOXMUWHDJPEBP-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CCC[N@H+](CC1CC1)C[C@@H]([NH3+])CC 42491195 573959673 /nfs/dbraw/zinc/95/96/73/573959673.db2.gz WOOXMUWHDJPEBP-NSHDSACASA-N 2 2 184.327 1.846 10 0 ADAELP CCCC[C@@H]([NH3+])C[N@H+](C)CCOC 42460337 573960076 /nfs/dbraw/zinc/96/00/76/573960076.db2.gz SONBLIPPDOQRJH-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCCC[C@@H]([NH3+])C[N@@H+](C)CCOC 42460337 573960081 /nfs/dbraw/zinc/96/00/81/573960081.db2.gz SONBLIPPDOQRJH-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCC[N@@H+](CC1CC1)C[C@H]([NH3+])CC 42491194 573960168 /nfs/dbraw/zinc/96/01/68/573960168.db2.gz WOOXMUWHDJPEBP-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP CCC[N@H+](CC1CC1)C[C@H]([NH3+])CC 42491194 573960170 /nfs/dbraw/zinc/96/01/70/573960170.db2.gz WOOXMUWHDJPEBP-LLVKDONJSA-N 2 2 184.327 1.846 10 0 ADAELP Cc1cccc2[nH+]c(C[C@@H](C)[NH3+])cn12 76790200 573960689 /nfs/dbraw/zinc/96/06/89/573960689.db2.gz JZUUNQBMWJFEHL-MRVPVSSYSA-N 2 2 189.262 1.532 10 0 ADAELP CC(C)C[NH2+]CC[N@H+](C)C1CCC1 127883953 573960855 /nfs/dbraw/zinc/96/08/55/573960855.db2.gz VXASXOCOTLKVEI-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[NH2+]CC[N@@H+](C)C1CCC1 127883953 573960859 /nfs/dbraw/zinc/96/08/59/573960859.db2.gz VXASXOCOTLKVEI-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP C[N@@H+]1CC[C@@](C)([NH2+]CCC2CCC2)C1 716515789 573960864 /nfs/dbraw/zinc/96/08/64/573960864.db2.gz BBVXGXHLHGFPGJ-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CC[C@@](C)([NH2+]CCC2CCC2)C1 716515789 573960868 /nfs/dbraw/zinc/96/08/68/573960868.db2.gz BBVXGXHLHGFPGJ-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CCCC[C@H](C[NH3+])[N@H+](C)CCOC 42458602 573960921 /nfs/dbraw/zinc/96/09/21/573960921.db2.gz NTJWXQHVPWJTBF-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCCC[C@H](C[NH3+])[N@@H+](C)CCOC 42458602 573960927 /nfs/dbraw/zinc/96/09/27/573960927.db2.gz NTJWXQHVPWJTBF-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCCCC[NH2+]CCc1[nH+]ccn1C 40638957 573960995 /nfs/dbraw/zinc/96/09/95/573960995.db2.gz DBKRYMCISIISDQ-UHFFFAOYSA-N 2 2 195.310 1.742 10 0 ADAELP CCCC[C@@H](C[NH3+])[N@H+](C)CCOC 42458600 573961004 /nfs/dbraw/zinc/96/10/04/573961004.db2.gz NTJWXQHVPWJTBF-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CCCC[C@@H](C[NH3+])[N@@H+](C)CCOC 42458600 573961008 /nfs/dbraw/zinc/96/10/08/573961008.db2.gz NTJWXQHVPWJTBF-JTQLQIEISA-N 2 2 188.315 1.082 10 0 ADAELP CC[C@@H](C)[NH2+]CCc1[nH+]ccn1C 40638855 573961190 /nfs/dbraw/zinc/96/11/90/573961190.db2.gz ITFAWHUOICGISS-SECBINFHSA-N 2 2 181.283 1.351 10 0 ADAELP CCC[C@@H]([NH3+])C[N@H+](CC)CCOC 42495964 573961460 /nfs/dbraw/zinc/96/14/60/573961460.db2.gz FXSQYTJHCKEOPP-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP CCC[C@@H]([NH3+])C[N@@H+](CC)CCOC 42495964 573961465 /nfs/dbraw/zinc/96/14/65/573961465.db2.gz FXSQYTJHCKEOPP-SNVBAGLBSA-N 2 2 188.315 1.082 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CCC1)c1cccnc1 258191197 573961529 /nfs/dbraw/zinc/96/15/29/573961529.db2.gz PBCZMZOZERPYTA-NSHDSACASA-N 2 2 191.278 1.224 10 0 ADAELP CC(C)CC[NH2+]CCc1[nH+]ccn1C 40638625 573961554 /nfs/dbraw/zinc/96/15/54/573961554.db2.gz ZHHUTHLRHXOVFU-UHFFFAOYSA-N 2 2 195.310 1.598 10 0 ADAELP CC[C@H](C)[NH2+]CCc1[nH+]ccn1C 40638856 573961650 /nfs/dbraw/zinc/96/16/50/573961650.db2.gz ITFAWHUOICGISS-VIFPVBQESA-N 2 2 181.283 1.351 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@H+](C)CC1CCCC1 123211972 573962202 /nfs/dbraw/zinc/96/22/02/573962202.db2.gz YHQLHYGGCPKLAK-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@@H+](C)CC1CCCC1 123211972 573962207 /nfs/dbraw/zinc/96/22/07/573962207.db2.gz YHQLHYGGCPKLAK-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]([NH3+])CC[NH2+]Cc1cscn1 127899722 573965456 /nfs/dbraw/zinc/96/54/56/573965456.db2.gz IAJREZMIDJOYCJ-MRVPVSSYSA-N 2 2 199.323 1.360 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@H+](C)CC1CCCC1 123212183 573964127 /nfs/dbraw/zinc/96/41/27/573964127.db2.gz YHQLHYGGCPKLAK-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@@H+](C)CC1CCCC1 123212183 573964129 /nfs/dbraw/zinc/96/41/29/573964129.db2.gz YHQLHYGGCPKLAK-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[N@@H+](CC(N)=[NH2+])CC1CCCCC1 42504372 573964543 /nfs/dbraw/zinc/96/45/43/573964543.db2.gz YRGPOTPPEDEJFU-UHFFFAOYSA-N 2 2 183.299 1.434 10 0 ADAELP C[N@H+](CC(N)=[NH2+])CC1CCCCC1 42504372 573964545 /nfs/dbraw/zinc/96/45/45/573964545.db2.gz YRGPOTPPEDEJFU-UHFFFAOYSA-N 2 2 183.299 1.434 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[C@@H]([NH2+]C)C1(C)C 259588253 573965246 /nfs/dbraw/zinc/96/52/46/573965246.db2.gz ZTXMVNITDKBAAA-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@H+]1CC[C@@H]([NH2+]C)C1(C)C 259588253 573965250 /nfs/dbraw/zinc/96/52/50/573965250.db2.gz ZTXMVNITDKBAAA-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1(C)C 259588256 573967083 /nfs/dbraw/zinc/96/70/83/573967083.db2.gz ZTXMVNITDKBAAA-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[N@@H+](CC(N)=[NH2+])CC1CC1 42503656 573966381 /nfs/dbraw/zinc/96/63/81/573966381.db2.gz HDJFTQGOFDCMNY-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP CCC[N@H+](CC(N)=[NH2+])CC1CC1 42503656 573966387 /nfs/dbraw/zinc/96/63/87/573966387.db2.gz HDJFTQGOFDCMNY-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@H]1C[NH2+]C[C@@H]1C 123222582 573967028 /nfs/dbraw/zinc/96/70/28/573967028.db2.gz GZQQIMWASUIKAY-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@H]1C[NH2+]C[C@@H]1C 123222582 573967033 /nfs/dbraw/zinc/96/70/33/573967033.db2.gz GZQQIMWASUIKAY-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[C@H]([NH2+]C)C1(C)C 259588256 573967087 /nfs/dbraw/zinc/96/70/87/573967087.db2.gz ZTXMVNITDKBAAA-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@H](C)[C@@H](C)[NH3+] 42556362 573970292 /nfs/dbraw/zinc/97/02/92/573970292.db2.gz KNBUNNXPMDDAEH-NXEZZACHSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@H](C)[C@@H](C)[NH3+] 42556362 573970295 /nfs/dbraw/zinc/97/02/95/573970295.db2.gz KNBUNNXPMDDAEH-NXEZZACHSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)C[N@@H+](C1CC1)[C@@H](C)[C@@H](C)[NH3+] 42556359 573970393 /nfs/dbraw/zinc/97/03/93/573970393.db2.gz KNBUNNXPMDDAEH-ZJUUUORDSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)C[N@H+](C1CC1)[C@@H](C)[C@@H](C)[NH3+] 42556359 573970397 /nfs/dbraw/zinc/97/03/97/573970397.db2.gz KNBUNNXPMDDAEH-ZJUUUORDSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)CC[NH2+][C@H]1CC[N@H+](C)C1 42543985 573971348 /nfs/dbraw/zinc/97/13/48/573971348.db2.gz JYDXSUGHLRLGNL-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)CC[NH2+][C@H]1CC[N@@H+](C)C1 42543985 573971351 /nfs/dbraw/zinc/97/13/51/573971351.db2.gz JYDXSUGHLRLGNL-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CCC[C@H](C[NH3+])c1[nH]cc[nH+]1 87602233 573972069 /nfs/dbraw/zinc/97/20/69/573972069.db2.gz JEDFOXNWODDKAY-SSDOTTSWSA-N 2 2 153.229 1.252 10 0 ADAELP CCCCC[NH2+][C@@H]1CC[N@H+](C)C1 42545206 573973127 /nfs/dbraw/zinc/97/31/27/573973127.db2.gz QDMGHVSRSFXPMJ-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCCCC[NH2+][C@@H]1CC[N@@H+](C)C1 42545206 573973132 /nfs/dbraw/zinc/97/31/32/573973132.db2.gz QDMGHVSRSFXPMJ-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC(C)CC[NH2+][C@@H]1CC[N@H+](C)C1 42543984 573974475 /nfs/dbraw/zinc/97/44/75/573974475.db2.gz JYDXSUGHLRLGNL-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)CC[NH2+][C@@H]1CC[N@@H+](C)C1 42543984 573974478 /nfs/dbraw/zinc/97/44/78/573974478.db2.gz JYDXSUGHLRLGNL-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CSCCC[NH2+][C@H]1CC[N@H+](C)C1 42545056 573974532 /nfs/dbraw/zinc/97/45/32/573974532.db2.gz XIZGCBPUDBVNLR-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP CSCCC[NH2+][C@H]1CC[N@@H+](C)C1 42545056 573974535 /nfs/dbraw/zinc/97/45/35/573974535.db2.gz XIZGCBPUDBVNLR-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] 259256912 573979008 /nfs/dbraw/zinc/97/90/08/573979008.db2.gz GQHVNAFNEADPDE-GXSJLCMTSA-N 2 2 178.279 1.603 10 0 ADAELP CCc1[nH]c(CC2CC[NH2+]CC2)c[nH+]1 104401963 573980659 /nfs/dbraw/zinc/98/06/59/573980659.db2.gz JXWOYJQVFSAAEH-UHFFFAOYSA-N 2 2 193.294 1.514 10 0 ADAELP Cn1c[nH+]cc1/C=C1/C[C@@H]([NH3+])C1(C)C 405214400 573980757 /nfs/dbraw/zinc/98/07/57/573980757.db2.gz JLOBXHDDOMCLFO-NAXAJZLFSA-N 2 2 191.278 1.561 10 0 ADAELP Cn1c[nH+]cc1/C=C1/C[C@H]([NH3+])C1(C)C 405214402 573981145 /nfs/dbraw/zinc/98/11/45/573981145.db2.gz JLOBXHDDOMCLFO-PENHIPQLSA-N 2 2 191.278 1.561 10 0 ADAELP C[C@H]1CC[NH2+]C2(CC[NH2+]CC2)S1 87605178 573981690 /nfs/dbraw/zinc/98/16/90/573981690.db2.gz PFLAFYQUOIZCQJ-QMMMGPOBSA-N 2 2 186.324 1.181 10 0 ADAELP CC(C)[N@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH3+] 42581811 573981750 /nfs/dbraw/zinc/98/17/50/573981750.db2.gz ZJHFWLJMKYRMAO-ZJUUUORDSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)[NH3+] 42581811 573981754 /nfs/dbraw/zinc/98/17/54/573981754.db2.gz ZJHFWLJMKYRMAO-ZJUUUORDSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1CC[NH2+]C2(CC[NH2+]CC2)S1 87605177 573982129 /nfs/dbraw/zinc/98/21/29/573982129.db2.gz PFLAFYQUOIZCQJ-MRVPVSSYSA-N 2 2 186.324 1.181 10 0 ADAELP C[C@H]1C[NH2+]C2(CC[NH2+]CC2)SC1 87604700 573982584 /nfs/dbraw/zinc/98/25/84/573982584.db2.gz ROGZRMFDBZZZIV-QMMMGPOBSA-N 2 2 186.324 1.039 10 0 ADAELP CCCCC[N@H+](CC(N)=[NH2+])C(C)C 42563553 573983006 /nfs/dbraw/zinc/98/30/06/573983006.db2.gz NFXFJODSVMROSZ-UHFFFAOYSA-N 2 2 185.315 1.823 10 0 ADAELP CCCCC[N@@H+](CC(N)=[NH2+])C(C)C 42563553 573983010 /nfs/dbraw/zinc/98/30/10/573983010.db2.gz NFXFJODSVMROSZ-UHFFFAOYSA-N 2 2 185.315 1.823 10 0 ADAELP CC(C)c1cc(N(C)C)cc(C[NH3+])[nH+]1 238230863 573990043 /nfs/dbraw/zinc/99/00/43/573990043.db2.gz MRMVWPPCFOSCDV-UHFFFAOYSA-N 2 2 193.294 1.730 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+]CC2CC2)C1 45649930 573992405 /nfs/dbraw/zinc/99/24/05/573992405.db2.gz HFPJGJWGFALJQG-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+]CC2CC2)C1 45649930 573992411 /nfs/dbraw/zinc/99/24/11/573992411.db2.gz HFPJGJWGFALJQG-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+]Cc1cc(F)cc(-c2[nH]cc[nH+]2)c1 104465040 573991843 /nfs/dbraw/zinc/99/18/43/573991843.db2.gz JZDAEZLZMWIIHT-UHFFFAOYSA-N 2 2 191.209 1.675 10 0 ADAELP CC(C)CCCn1cc[nH+]c1CC[NH3+] 128012134 573991939 /nfs/dbraw/zinc/99/19/39/573991939.db2.gz YJTVXULDSWTOFZ-UHFFFAOYSA-N 2 2 195.310 1.821 10 0 ADAELP CCC[C@H]1[NH2+][C@@H](C)CC(C)(C)[NH2+]1 238233457 573992269 /nfs/dbraw/zinc/99/22/69/573992269.db2.gz VQSSGVUUEITKJL-IUCAKERBSA-N 2 2 170.300 1.863 10 0 ADAELP CCCC[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45650145 573993311 /nfs/dbraw/zinc/99/33/11/573993311.db2.gz PHVNSGOMEIOFMS-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[NH2+][C@H]1CC[N@H+](C(C)C)C1 45650145 573993317 /nfs/dbraw/zinc/99/33/17/573993317.db2.gz PHVNSGOMEIOFMS-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]([NH2+]C1CC([NH3+])C1)c1nccs1 87652010 573994200 /nfs/dbraw/zinc/99/42/00/573994200.db2.gz WHUYAVPGMCXVCW-KKMMWDRVSA-N 2 2 197.307 1.283 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 45651321 573994462 /nfs/dbraw/zinc/99/44/62/573994462.db2.gz DPPBNMLWNXNUMT-JQWIXIFHSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 45651321 573994466 /nfs/dbraw/zinc/99/44/66/573994466.db2.gz DPPBNMLWNXNUMT-JQWIXIFHSA-N 2 2 196.338 1.857 10 0 ADAELP C1CC[NH+](CC[NH2+][C@H]2C[C@H]2C2CC2)C1 716545927 573996164 /nfs/dbraw/zinc/99/61/64/573996164.db2.gz MILVANWOBCUHLX-RYUDHWBXSA-N 2 2 194.322 1.470 10 0 ADAELP C[C@@H]([NH2+]CC[N@H+](C)C1CCC1)C1CC1 127935952 573996388 /nfs/dbraw/zinc/99/63/88/573996388.db2.gz XSPFAZFTHBFVAC-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+]CC[N@@H+](C)C1CCC1)C1CC1 127935952 573996393 /nfs/dbraw/zinc/99/63/93/573996393.db2.gz XSPFAZFTHBFVAC-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C1CC[NH+](CC[NH2+][C@@H]2C[C@H]2C2CC2)C1 716545926 573996428 /nfs/dbraw/zinc/99/64/28/573996428.db2.gz MILVANWOBCUHLX-NWDGAFQWSA-N 2 2 194.322 1.470 10 0 ADAELP CCC12CCC[NH2+]C1[NH2+]CCC2 238234162 573996746 /nfs/dbraw/zinc/99/67/46/573996746.db2.gz JEHHPHZCPQVONW-UHFFFAOYSA-N 2 2 168.284 1.476 10 0 ADAELP C1CC[NH+](CC[NH2+][C@@H]2C[C@@H]2C2CC2)C1 716545928 573997133 /nfs/dbraw/zinc/99/71/33/573997133.db2.gz MILVANWOBCUHLX-VXGBXAGGSA-N 2 2 194.322 1.470 10 0 ADAELP C[NH2+][C@@H](c1ccc[nH]1)[C@@H]1CCC[NH2+]1 259591257 573998408 /nfs/dbraw/zinc/99/84/08/573998408.db2.gz XSNFPRVPUXJWRQ-UWVGGRQHSA-N 2 2 179.267 1.027 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1cccc(F)c1 259263007 573998820 /nfs/dbraw/zinc/99/88/20/573998820.db2.gz IPEPEWXAILFVDU-SNVBAGLBSA-N 2 2 196.269 1.824 10 0 ADAELP C[NH2+][C@H](c1ccc[nH]1)[C@@H]1CCC[NH2+]1 259591260 573999136 /nfs/dbraw/zinc/99/91/36/573999136.db2.gz XSNFPRVPUXJWRQ-VHSXEESVSA-N 2 2 179.267 1.027 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[C@H]2CCC[NH2+]2)o1 259262935 573999158 /nfs/dbraw/zinc/99/91/58/573999158.db2.gz IORBDASWTPFECD-NXEZZACHSA-N 2 2 194.278 1.730 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[C@@H]2CCC[NH2+]2)o1 259262939 573999232 /nfs/dbraw/zinc/99/92/32/573999232.db2.gz IORBDASWTPFECD-UWVGGRQHSA-N 2 2 194.278 1.730 10 0 ADAELP CC[C@H]1[NH2+]CC[C@H]1c1c[nH+]cn1C 85182290 573999478 /nfs/dbraw/zinc/99/94/78/573999478.db2.gz JXNBKWNCQNTSQW-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP C[N@H+](Cc1ccco1)C1CC([NH3+])C1 87653212 573999529 /nfs/dbraw/zinc/99/95/29/573999529.db2.gz IFQCWGBQGZNRQE-UHFFFAOYSA-N 2 2 180.251 1.201 10 0 ADAELP C[N@@H+](Cc1ccco1)C1CC([NH3+])C1 87653212 573999532 /nfs/dbraw/zinc/99/95/32/573999532.db2.gz IFQCWGBQGZNRQE-UHFFFAOYSA-N 2 2 180.251 1.201 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[C@@H]2CCC[NH2+]2)o1 259262942 573999684 /nfs/dbraw/zinc/99/96/84/573999684.db2.gz IORBDASWTPFECD-VHSXEESVSA-N 2 2 194.278 1.730 10 0 ADAELP C[NH2+]C(C)(C)[C@@H]([NH3+])c1cccc(F)c1 259263006 573999822 /nfs/dbraw/zinc/99/98/22/573999822.db2.gz IPEPEWXAILFVDU-JTQLQIEISA-N 2 2 196.269 1.824 10 0 ADAELP C[C@@H]1[NH2+][C@H](C)C[C@@H]1c1c[nH+]cn1C 85169305 573999945 /nfs/dbraw/zinc/99/99/45/573999945.db2.gz STQRKBIEORDEJQ-VGMNWLOBSA-N 2 2 179.267 1.274 10 0 ADAELP Cc1oc(C(C)(C)C)cc1[C@H]([NH3+])C[NH3+] 104484068 574000035 /nfs/dbraw/zinc/00/00/35/574000035.db2.gz BVVGFHOOJSTNPP-SECBINFHSA-N 2 2 196.294 1.844 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 259266423 574000124 /nfs/dbraw/zinc/00/01/24/574000124.db2.gz FXUAJELELBXZOT-SECBINFHSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)(C)[N@H+]1CCC[C@@H]([NH3+])C1(C)C 259266423 574000127 /nfs/dbraw/zinc/00/01/27/574000127.db2.gz FXUAJELELBXZOT-SECBINFHSA-N 2 2 184.327 1.987 10 0 ADAELP C[NH2+][C@H](c1ccc[nH]1)[C@H]1CCC[NH2+]1 259591253 574000134 /nfs/dbraw/zinc/00/01/34/574000134.db2.gz XSNFPRVPUXJWRQ-NXEZZACHSA-N 2 2 179.267 1.027 10 0 ADAELP Cc1oc(C(C)(C)C)cc1[C@@H]([NH3+])C[NH3+] 104484071 574000212 /nfs/dbraw/zinc/00/02/12/574000212.db2.gz BVVGFHOOJSTNPP-VIFPVBQESA-N 2 2 196.294 1.844 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1c1c[nH+]cn1C 85182295 574000259 /nfs/dbraw/zinc/00/02/59/574000259.db2.gz JXNBKWNCQNTSQW-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP Cn1c[nH+]cc1[C@@H]1CC[NH2+]C1(C)C 85182297 574000277 /nfs/dbraw/zinc/00/02/77/574000277.db2.gz UQTDMUPHSHHJPI-QMMMGPOBSA-N 2 2 179.267 1.276 10 0 ADAELP C[N@H+](Cc1ccoc1)C1CC([NH3+])C1 87653313 574001936 /nfs/dbraw/zinc/00/19/36/574001936.db2.gz BQMMURIVHYKYCG-UHFFFAOYSA-N 2 2 180.251 1.201 10 0 ADAELP C[N@@H+](Cc1ccoc1)C1CC([NH3+])C1 87653313 574001940 /nfs/dbraw/zinc/00/19/40/574001940.db2.gz BQMMURIVHYKYCG-UHFFFAOYSA-N 2 2 180.251 1.201 10 0 ADAELP CC[NH2+][C@@H](C)C[NH2+]Cc1ccccc1 238238292 574002162 /nfs/dbraw/zinc/00/21/62/574002162.db2.gz VMEMNIOSBCKSEO-NSHDSACASA-N 2 2 192.306 1.774 10 0 ADAELP C[C@@H]1[NH2+][C@H](C)C[C@H]1c1c[nH+]cn1C 85169310 574003652 /nfs/dbraw/zinc/00/36/52/574003652.db2.gz STQRKBIEORDEJQ-HRDYMLBCSA-N 2 2 179.267 1.274 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])cc(Cl)n1 104486533 574003665 /nfs/dbraw/zinc/00/36/65/574003665.db2.gz SJRBEMIPFYQXSH-SSDOTTSWSA-N 2 2 185.658 1.002 10 0 ADAELP CCCc1cn2c([nH+]1)CCC[C@H]2[NH3+] 258524009 574003684 /nfs/dbraw/zinc/00/36/84/574003684.db2.gz RXTGWJUUDGCJRW-VIFPVBQESA-N 2 2 179.267 1.629 10 0 ADAELP CC(C)[C@@H]([NH3+])c1ccc2[nH+]ccn2c1 104488324 574003132 /nfs/dbraw/zinc/00/31/32/574003132.db2.gz BGHOOXCRAOSHKE-LLVKDONJSA-N 2 2 189.262 1.990 10 0 ADAELP CC[C@@H]1[NH2+][C@@H](C)C[C@H]1c1c[nH+]cn1C 85169319 574003610 /nfs/dbraw/zinc/00/36/10/574003610.db2.gz QYZVONSQJDFDRW-AEJSXWLSSA-N 2 2 193.294 1.664 10 0 ADAELP CC(C)[C@H]([NH3+])c1ccc2[nH+]ccn2c1 104488321 574004617 /nfs/dbraw/zinc/00/46/17/574004617.db2.gz BGHOOXCRAOSHKE-NSHDSACASA-N 2 2 189.262 1.990 10 0 ADAELP CCn1c[nH+]cc1[C@H]1CC[NH2+]C1(C)C 85185395 574006058 /nfs/dbraw/zinc/00/60/58/574006058.db2.gz AKMQOYHBKCLPIA-SECBINFHSA-N 2 2 193.294 1.759 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H]1CC[NH2+][C@H]1C 85189196 574006068 /nfs/dbraw/zinc/00/60/68/574006068.db2.gz ODCRHKGUCNNFIX-VHSXEESVSA-N 2 2 193.294 1.929 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[NH2+][C@@H](C)C1 85184383 574006140 /nfs/dbraw/zinc/00/61/40/574006140.db2.gz VZAUNUWMFPVOCB-IUCAKERBSA-N 2 2 179.267 1.368 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1CC[NH2+][C@@H]1C 85185380 574006172 /nfs/dbraw/zinc/00/61/72/574006172.db2.gz GTRFFOUSRAIXMV-RKDXNWHRSA-N 2 2 179.267 1.368 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H]1CC[NH2+]C1 85189191 574006272 /nfs/dbraw/zinc/00/62/72/574006272.db2.gz GJIQYYVMSPGAMR-SECBINFHSA-N 2 2 179.267 1.541 10 0 ADAELP CC(C)[N@@H+]1CCC[C@H]1C1([NH3+])CCC1 258199484 574006731 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2 2 193.294 1.759 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CCC1)Cc1ccco1 258203559 574008775 /nfs/dbraw/zinc/00/87/75/574008775.db2.gz JNEIROPQELDSFA-VIFPVBQESA-N 2 2 194.278 1.292 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[C@H](C)[NH2+][C@@H]1C 85184392 574008841 /nfs/dbraw/zinc/00/88/41/574008841.db2.gz AUJPAJKGSYBHEH-IVZWLZJFSA-N 2 2 193.294 1.757 10 0 ADAELP CCCn1c[nH+]cc1[C@@H]1CC[NH2+][C@@H]1C 85187321 574008863 /nfs/dbraw/zinc/00/88/63/574008863.db2.gz KHZGOIUDIORZAP-NXEZZACHSA-N 2 2 193.294 1.759 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1c1c[nH+]cn1C1CC1 85190991 574010713 /nfs/dbraw/zinc/01/07/13/574010713.db2.gz FGZSHKOKYCPAHK-WPRPVWTQSA-N 2 2 191.278 1.683 10 0 ADAELP CC(C)n1c[nH+]cc1Cn1cc[nH+]c1 85192847 574010017 /nfs/dbraw/zinc/01/00/17/574010017.db2.gz RXJHOJKJKUXDQA-UHFFFAOYSA-N 2 2 190.250 1.709 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CCC1)Cc1ccco1 258203556 574010038 /nfs/dbraw/zinc/01/00/38/574010038.db2.gz JNEIROPQELDSFA-SECBINFHSA-N 2 2 194.278 1.292 10 0 ADAELP C[C@@H](CC1CCC1)[N@@H+]1CCC[NH2+]CC1 123368654 574010112 /nfs/dbraw/zinc/01/01/12/574010112.db2.gz BESQVBRLZZSEBA-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H](CC1CCC1)[N@H+]1CCC[NH2+]CC1 123368654 574010114 /nfs/dbraw/zinc/01/01/14/574010114.db2.gz BESQVBRLZZSEBA-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1c1c[nH+]cn1C1CC1 85190988 574010193 /nfs/dbraw/zinc/01/01/93/574010193.db2.gz FGZSHKOKYCPAHK-WCBMZHEXSA-N 2 2 191.278 1.683 10 0 ADAELP CCc1cccc(Cl)c1[C@@H]([NH3+])C[NH3+] 104493825 574010398 /nfs/dbraw/zinc/01/03/98/574010398.db2.gz RAMZKRCANOCABI-VIFPVBQESA-N 2 2 198.697 1.861 10 0 ADAELP c1cn(Cc2c[nH+]cn2C2CC2)c[nH+]1 85193040 574010487 /nfs/dbraw/zinc/01/04/87/574010487.db2.gz SYXXVGHYRAZZBS-UHFFFAOYSA-N 2 2 188.234 1.463 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cncc2ccccc12 104494346 574010513 /nfs/dbraw/zinc/01/05/13/574010513.db2.gz FBXZUTLUTRHNJM-NSHDSACASA-N 2 2 187.246 1.193 10 0 ADAELP CCn1c[nH+]cc1Cn1cc[nH+]c1 85192501 574010567 /nfs/dbraw/zinc/01/05/67/574010567.db2.gz QGLXSDJQIASXLH-UHFFFAOYSA-N 2 2 176.223 1.148 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1c1c[nH+]cn1C1CC1 85190987 574010616 /nfs/dbraw/zinc/01/06/16/574010616.db2.gz FGZSHKOKYCPAHK-PSASIEDQSA-N 2 2 191.278 1.683 10 0 ADAELP [NH3+][C@H](c1ccc2[nH+]ccn2c1)C1CC1 104494372 574010671 /nfs/dbraw/zinc/01/06/71/574010671.db2.gz GLGREQXBQFVESK-NSHDSACASA-N 2 2 187.246 1.744 10 0 ADAELP c1[nH+]cn(C2CC2)c1[C@@H]1CC[NH2+]C1 85190983 574012682 /nfs/dbraw/zinc/01/26/82/574012682.db2.gz DFFXUEOZZUVVTQ-MRVPVSSYSA-N 2 2 177.251 1.295 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1nccc2ccccc12 104495722 574014201 /nfs/dbraw/zinc/01/42/01/574014201.db2.gz YNZYSXUSBVALHD-JTQLQIEISA-N 2 2 187.246 1.193 10 0 ADAELP Cc1c(F)cc(F)cc1[C@@H]([NH3+])C[NH3+] 104495629 574013646 /nfs/dbraw/zinc/01/36/46/574013646.db2.gz CSLNDOSYTAFGCQ-VIFPVBQESA-N 2 2 186.205 1.232 10 0 ADAELP CCC[NH+]1CCC([NH3+])(C(F)F)CC1 87688184 574013895 /nfs/dbraw/zinc/01/38/95/574013895.db2.gz RSGQHKVKFFCYMI-UHFFFAOYSA-N 2 2 192.253 1.455 10 0 ADAELP CCc1cc(Cl)ccc1[C@H]([NH3+])C[NH3+] 104495239 574014053 /nfs/dbraw/zinc/01/40/53/574014053.db2.gz JFTAVDVVLHKFOV-SNVBAGLBSA-N 2 2 198.697 1.861 10 0 ADAELP CCc1c[nH+]ccc1CC[NH3+] 259273005 574015352 /nfs/dbraw/zinc/01/53/52/574015352.db2.gz LZFWDZPSPAYGPK-UHFFFAOYSA-N 2 2 150.225 1.145 10 0 ADAELP CC(C)[NH+]1CCC([NH3+])(C(F)F)CC1 87687949 574015825 /nfs/dbraw/zinc/01/58/25/574015825.db2.gz DEFUBDQEUVFJNS-UHFFFAOYSA-N 2 2 192.253 1.453 10 0 ADAELP C[NH2+][C@H](c1cccc(F)c1)C1([NH3+])CC1 259273287 574017018 /nfs/dbraw/zinc/01/70/18/574017018.db2.gz OXUKZBLCQHPTOK-SNVBAGLBSA-N 2 2 194.253 1.578 10 0 ADAELP C[NH2+][C@@H](c1cccc(F)c1)C1([NH3+])CC1 259273280 574017189 /nfs/dbraw/zinc/01/71/89/574017189.db2.gz OXUKZBLCQHPTOK-JTQLQIEISA-N 2 2 194.253 1.578 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[NH3+])c(Cl)n1 104505132 574019497 /nfs/dbraw/zinc/01/94/97/574019497.db2.gz UOXZGDYXLVVAHY-ZETCQYMHSA-N 2 2 185.658 1.002 10 0 ADAELP Cc1cc(Cl)ncc1[C@@H]([NH3+])C[NH3+] 104505140 574019440 /nfs/dbraw/zinc/01/94/40/574019440.db2.gz PPTSJLVIUXIHMZ-ZETCQYMHSA-N 2 2 185.658 1.002 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1c1[nH]cc[nH+]1 223759507 574023376 /nfs/dbraw/zinc/02/33/76/574023376.db2.gz VNGQJKGCYDAIMD-NKWVEPMBSA-N 2 2 151.213 1.005 10 0 ADAELP CC[C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C 49196651 574024821 /nfs/dbraw/zinc/02/48/21/574024821.db2.gz GFMKKEVZIOYQKS-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP Cc1cc(C[NH3+])cnc1-n1cc[nH+]c1 87719079 574024205 /nfs/dbraw/zinc/02/42/05/574024205.db2.gz BOHIROIRAPMSEC-UHFFFAOYSA-N 2 2 188.234 1.034 10 0 ADAELP CCC[N@H+](CC[NH3+])CCOC(C)C 49259296 574025651 /nfs/dbraw/zinc/02/56/51/574025651.db2.gz SQCZSISJHGJQPU-UHFFFAOYSA-N 2 2 188.315 1.082 10 0 ADAELP CCC[N@@H+](CC[NH3+])CCOC(C)C 49259296 574025654 /nfs/dbraw/zinc/02/56/54/574025654.db2.gz SQCZSISJHGJQPU-UHFFFAOYSA-N 2 2 188.315 1.082 10 0 ADAELP CCC[NH2+][C@H](C[NH+](C)C)C(C)C 49196521 574026049 /nfs/dbraw/zinc/02/60/49/574026049.db2.gz ZLDIIPOPRJAOFW-SNVBAGLBSA-N 2 2 172.316 1.572 10 0 ADAELP CC[C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C 49196648 574026192 /nfs/dbraw/zinc/02/61/92/574026192.db2.gz GFMKKEVZIOYQKS-QWRGUYRKSA-N 2 2 186.343 1.961 10 0 ADAELP CCCC[NH2+][C@H](C[NH+](C)C)C(C)C 49196527 574026310 /nfs/dbraw/zinc/02/63/10/574026310.db2.gz VNGPKJLDNRGIDB-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CC1CC1 49197879 574026616 /nfs/dbraw/zinc/02/66/16/574026616.db2.gz REZHEACFVIYXRZ-NSHDSACASA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)OCC[N@H+](CC[NH3+])C(C)C 49259294 574026687 /nfs/dbraw/zinc/02/66/87/574026687.db2.gz AHCVNNMJPZUBKM-UHFFFAOYSA-N 2 2 188.315 1.081 10 0 ADAELP CC(C)OCC[N@@H+](CC[NH3+])C(C)C 49259294 574026688 /nfs/dbraw/zinc/02/66/88/574026688.db2.gz AHCVNNMJPZUBKM-UHFFFAOYSA-N 2 2 188.315 1.081 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C 49196645 574026728 /nfs/dbraw/zinc/02/67/28/574026728.db2.gz GFMKKEVZIOYQKS-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[NH2+][C@@H](C[NH+](C)C)C(C)C 49196530 574026853 /nfs/dbraw/zinc/02/68/53/574026853.db2.gz SXQRVNKWPFKDOW-VIFPVBQESA-N 2 2 158.289 1.182 10 0 ADAELP CC[C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C 49196653 574027045 /nfs/dbraw/zinc/02/70/45/574027045.db2.gz GFMKKEVZIOYQKS-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CCC[NH2+][C@@H](C[NH+](C)C)C(C)C 49196518 574027268 /nfs/dbraw/zinc/02/72/68/574027268.db2.gz ZLDIIPOPRJAOFW-JTQLQIEISA-N 2 2 172.316 1.572 10 0 ADAELP C[NH+](C)[C@@]1(c2ccccc2)CC[NH2+]C1 259284434 574028998 /nfs/dbraw/zinc/02/89/98/574028998.db2.gz TYROUQLCCFGXFP-LBPRGKRZSA-N 2 2 190.290 1.437 10 0 ADAELP C[NH+](C)[C@]1(c2ccccc2)CC[NH2+]C1 259284429 574028603 /nfs/dbraw/zinc/02/86/03/574028603.db2.gz TYROUQLCCFGXFP-GFCCVEGCSA-N 2 2 190.290 1.437 10 0 ADAELP Cc1ccc([C@H]([NH+](C)C)C(C)(C)[NH3+])o1 259284263 574028719 /nfs/dbraw/zinc/02/87/19/574028719.db2.gz CMWPDIUQPGRMBP-JTQLQIEISA-N 2 2 196.294 1.928 10 0 ADAELP CC[NH+](CC)CCC[NH2+]CCF 87774642 574029957 /nfs/dbraw/zinc/02/99/57/574029957.db2.gz ZSCOTGGIKQEQQX-UHFFFAOYSA-N 2 2 176.279 1.277 10 0 ADAELP Cc1ccc([C@@H]([NH+](C)C)C(C)(C)[NH3+])o1 259284270 574030130 /nfs/dbraw/zinc/03/01/30/574030130.db2.gz CMWPDIUQPGRMBP-SNVBAGLBSA-N 2 2 196.294 1.928 10 0 ADAELP c1cn(CCC[NH2+]CC2CCC2)c[nH+]1 49327930 574030226 /nfs/dbraw/zinc/03/02/26/574030226.db2.gz SDHISMCNDACAEW-UHFFFAOYSA-N 2 2 193.294 1.663 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[NH2+]C(C)(C)CC1 259285640 574030616 /nfs/dbraw/zinc/03/06/16/574030616.db2.gz OPURTPKFFGTRLP-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CC[NH2+]C(C)(C)CC1 259285640 574030619 /nfs/dbraw/zinc/03/06/19/574030619.db2.gz OPURTPKFFGTRLP-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[NH2+]C(C)(C)CC1 259285643 574031033 /nfs/dbraw/zinc/03/10/33/574031033.db2.gz OPURTPKFFGTRLP-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[NH2+]C(C)(C)CC1 259285643 574031035 /nfs/dbraw/zinc/03/10/35/574031035.db2.gz OPURTPKFFGTRLP-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](c1ccc(F)c(C)c1)[C@@H](C)[NH3+] 259289355 574035994 /nfs/dbraw/zinc/03/59/94/574035994.db2.gz HQQLWTPQYOHGIF-LDYMZIIASA-N 2 2 196.269 1.742 10 0 ADAELP C[C@@H](C[NH2+]CC1CC1)[NH+]1CCCC1 112340698 574037817 /nfs/dbraw/zinc/03/78/17/574037817.db2.gz YDQZPTGJLHDNFO-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](C[NH3+])CSCc1c[nH+]cn1C 85336919 574037905 /nfs/dbraw/zinc/03/79/05/574037905.db2.gz WHYFFXOQAXSUOK-QMMMGPOBSA-N 2 2 199.323 1.248 10 0 ADAELP CCCc1[nH]c[nH+]c1C1CC[NH2+]CC1 258468163 574040480 /nfs/dbraw/zinc/04/04/80/574040480.db2.gz AETBRDLJSZCRHH-UHFFFAOYSA-N 2 2 193.294 1.829 10 0 ADAELP Cc1nc(C[NH2+]CC[C@@H](C)[NH3+])cs1 49539075 574042689 /nfs/dbraw/zinc/04/26/89/574042689.db2.gz RQSYQMRESIBGQO-SSDOTTSWSA-N 2 2 199.323 1.278 10 0 ADAELP C[NH2+][C@H](C[NH2+]C1CC1)c1cccs1 259298813 574045364 /nfs/dbraw/zinc/04/53/64/574045364.db2.gz IZBBOUJTNXBJKH-SECBINFHSA-N 2 2 196.319 1.761 10 0 ADAELP C[C@@]([NH3+])(C[NH3+])c1cccc(Cl)c1 113059511 574045571 /nfs/dbraw/zinc/04/55/71/574045571.db2.gz AOEDEKLRHCWFDN-SECBINFHSA-N 2 2 184.670 1.473 10 0 ADAELP C[NH2+][C@@H](C[NH2+]C1CC1)c1cccs1 259298815 574045898 /nfs/dbraw/zinc/04/58/98/574045898.db2.gz IZBBOUJTNXBJKH-VIFPVBQESA-N 2 2 196.319 1.761 10 0 ADAELP CNc1nc(-n2cc[nH+]c2C)cc[nH+]1 87839439 574045914 /nfs/dbraw/zinc/04/59/14/574045914.db2.gz NFWHXEGBDXMYAN-UHFFFAOYSA-N 2 2 189.222 1.012 10 0 ADAELP C[C@]([NH3+])(C[NH3+])c1cccc(Cl)c1 113059514 574045958 /nfs/dbraw/zinc/04/59/58/574045958.db2.gz AOEDEKLRHCWFDN-VIFPVBQESA-N 2 2 184.670 1.473 10 0 ADAELP CNc1cc(-n2cc[nH+]c2C)nc[nH+]1 87839455 574046048 /nfs/dbraw/zinc/04/60/48/574046048.db2.gz TULXDOOCEFULCJ-UHFFFAOYSA-N 2 2 189.222 1.012 10 0 ADAELP CC[N@H+](C)CC[NH2+]C(C)(C)C 42409481 486725367 /nfs/dbraw/zinc/72/53/67/486725367.db2.gz ZUJSTSCIQVNAAG-UHFFFAOYSA-N 2 2 158.289 1.326 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C(C)(C)C 42409481 486725369 /nfs/dbraw/zinc/72/53/69/486725369.db2.gz ZUJSTSCIQVNAAG-UHFFFAOYSA-N 2 2 158.289 1.326 10 0 ADAELP C[NH2+]CCNc1[nH]c2ccccc2[nH+]1 49753037 486733997 /nfs/dbraw/zinc/73/39/97/486733997.db2.gz ZRXJLQNVWSOWLE-UHFFFAOYSA-N 2 2 190.250 1.194 10 0 ADAELP CCc1nc(C[NH2+]CCC[NH3+])cs1 51356256 486740661 /nfs/dbraw/zinc/74/06/61/486740661.db2.gz ABLADNLRNJGQKH-UHFFFAOYSA-N 2 2 199.323 1.144 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+]Cc1cccs1 53493239 486749344 /nfs/dbraw/zinc/74/93/44/486749344.db2.gz UIMIUPXOAUFMDL-QMMMGPOBSA-N 2 2 184.308 1.446 10 0 ADAELP C[NH2+][C@H](C)C[NH2+]Cc1cccs1 53493241 486749884 /nfs/dbraw/zinc/74/98/84/486749884.db2.gz UIMIUPXOAUFMDL-MRVPVSSYSA-N 2 2 184.308 1.446 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+]Cc1ccc(C)s1 54077200 486754008 /nfs/dbraw/zinc/75/40/08/486754008.db2.gz RJWURHFHEHNFMX-QMMMGPOBSA-N 2 2 198.335 1.754 10 0 ADAELP C[NH2+][C@H](C)C[NH2+]Cc1ccc(C)s1 54077199 486754917 /nfs/dbraw/zinc/75/49/17/486754917.db2.gz RJWURHFHEHNFMX-MRVPVSSYSA-N 2 2 198.335 1.754 10 0 ADAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 54763877 486760005 /nfs/dbraw/zinc/76/00/05/486760005.db2.gz XDEWWDUYZVGJMT-WPRPVWTQSA-N 2 2 195.266 1.067 10 0 ADAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCCO1 54763884 486760320 /nfs/dbraw/zinc/76/03/20/486760320.db2.gz XDEWWDUYZVGJMT-WCBMZHEXSA-N 2 2 195.266 1.067 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CCCSC1 61570510 486762217 /nfs/dbraw/zinc/76/22/17/486762217.db2.gz NGWGSPDPTHGARG-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CCCSC1 61570507 486762940 /nfs/dbraw/zinc/76/29/40/486762940.db2.gz NGWGSPDPTHGARG-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H](C)C[NH2+]Cc1ccsc1 63147361 486769734 /nfs/dbraw/zinc/76/97/34/486769734.db2.gz DXPXXEVTYVQPOM-MRVPVSSYSA-N 2 2 184.308 1.446 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+]Cc1ccsc1 63147359 486769934 /nfs/dbraw/zinc/76/99/34/486769934.db2.gz DXPXXEVTYVQPOM-QMMMGPOBSA-N 2 2 184.308 1.446 10 0 ADAELP c1ccc(NCC[C@H]2CC[NH2+]C2)[nH+]c1 82487662 486814116 /nfs/dbraw/zinc/81/41/16/486814116.db2.gz SVHUSZJOBWKPRF-SNVBAGLBSA-N 2 2 191.278 1.493 10 0 ADAELP c1ccc(NCC[C@@H]2CC[NH2+]C2)[nH+]c1 82487660 486814228 /nfs/dbraw/zinc/81/42/28/486814228.db2.gz SVHUSZJOBWKPRF-JTQLQIEISA-N 2 2 191.278 1.493 10 0 ADAELP Cc1cccc(NC[C@H](C)[NH3+])[nH+]1 82575460 486815980 /nfs/dbraw/zinc/81/59/80/486815980.db2.gz JOBQHQWACWATNG-ZETCQYMHSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1cccc(NC[C@@H](C)[NH3+])[nH+]1 82575456 486816026 /nfs/dbraw/zinc/81/60/26/486816026.db2.gz JOBQHQWACWATNG-SSDOTTSWSA-N 2 2 165.240 1.149 10 0 ADAELP CC[C@@H]([NH3+])CNc1cccc(C)[nH+]1 82579331 486817637 /nfs/dbraw/zinc/81/76/37/486817637.db2.gz SKDZIEAYCHDPPA-SECBINFHSA-N 2 2 179.267 1.539 10 0 ADAELP CC[C@H]([NH3+])CNc1cccc(C)[nH+]1 82579330 486817870 /nfs/dbraw/zinc/81/78/70/486817870.db2.gz SKDZIEAYCHDPPA-VIFPVBQESA-N 2 2 179.267 1.539 10 0 ADAELP CC[C@H]([NH3+])CNc1cc(C)cc[nH+]1 82584697 486818288 /nfs/dbraw/zinc/81/82/88/486818288.db2.gz SERXJLUDMMFCRY-VIFPVBQESA-N 2 2 179.267 1.539 10 0 ADAELP Cc1cc[nH+]c(NC[C@H](C)[NH3+])c1 82584558 486818437 /nfs/dbraw/zinc/81/84/37/486818437.db2.gz OGXJPPREFKDRQQ-QMMMGPOBSA-N 2 2 165.240 1.149 10 0 ADAELP CC[C@@H]([NH3+])CNc1cc(C)cc[nH+]1 82584698 486818475 /nfs/dbraw/zinc/81/84/75/486818475.db2.gz SERXJLUDMMFCRY-SECBINFHSA-N 2 2 179.267 1.539 10 0 ADAELP Cc1cc[nH+]c(NC[C@@H](C)[NH3+])c1 82584557 486818691 /nfs/dbraw/zinc/81/86/91/486818691.db2.gz OGXJPPREFKDRQQ-MRVPVSSYSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1cc[nH+]c(NC[C@@H]([NH3+])C2CC2)c1 82594029 486819307 /nfs/dbraw/zinc/81/93/07/486819307.db2.gz RIPYSWOTHQYTTP-SNVBAGLBSA-N 2 2 191.278 1.539 10 0 ADAELP Cc1cccc(NC[C@@H]([NH3+])C2CC2)[nH+]1 82594020 486819342 /nfs/dbraw/zinc/81/93/42/486819342.db2.gz RIYLEEABFUCWKC-SNVBAGLBSA-N 2 2 191.278 1.539 10 0 ADAELP Cc1cccc(NC[C@H]([NH3+])C2CC2)[nH+]1 82594018 486819379 /nfs/dbraw/zinc/81/93/79/486819379.db2.gz RIYLEEABFUCWKC-JTQLQIEISA-N 2 2 191.278 1.539 10 0 ADAELP Cc1cc[nH+]c(NC[C@H]([NH3+])C2CC2)c1 82594026 486819405 /nfs/dbraw/zinc/81/94/05/486819405.db2.gz RIPYSWOTHQYTTP-JTQLQIEISA-N 2 2 191.278 1.539 10 0 ADAELP C[C@H](C[NH3+])CNc1cccc[nH+]1 83402334 486834314 /nfs/dbraw/zinc/83/43/14/486834314.db2.gz DZVRATCELJSZMU-MRVPVSSYSA-N 2 2 165.240 1.088 10 0 ADAELP C[C@@H](C[NH3+])CNc1cccc[nH+]1 83402333 486834402 /nfs/dbraw/zinc/83/44/02/486834402.db2.gz DZVRATCELJSZMU-QMMMGPOBSA-N 2 2 165.240 1.088 10 0 ADAELP CCC[N@H+](C)CCCn1cc[nH+]c1 676222167 486858385 /nfs/dbraw/zinc/85/83/85/486858385.db2.gz BCBCQYITYQPVPO-UHFFFAOYSA-N 2 2 181.283 1.615 10 0 ADAELP CCC[N@@H+](C)CCCn1cc[nH+]c1 676222167 486858386 /nfs/dbraw/zinc/85/83/86/486858386.db2.gz BCBCQYITYQPVPO-UHFFFAOYSA-N 2 2 181.283 1.615 10 0 ADAELP CN(CC(C)(C)C[NH3+])c1cccc[nH+]1 86638565 486883139 /nfs/dbraw/zinc/88/31/39/486883139.db2.gz PPTVTWVYSYONSD-UHFFFAOYSA-N 2 2 193.294 1.503 10 0 ADAELP c1cc(CC[NH2+][C@@H]2CC[NH2+]C2)cs1 86729294 486886095 /nfs/dbraw/zinc/88/60/95/486886095.db2.gz XAPDKKGOOZYMGU-SNVBAGLBSA-N 2 2 196.319 1.242 10 0 ADAELP c1cc(CC[NH2+][C@H]2CC[NH2+]C2)cs1 86729295 486886349 /nfs/dbraw/zinc/88/63/49/486886349.db2.gz XAPDKKGOOZYMGU-JTQLQIEISA-N 2 2 196.319 1.242 10 0 ADAELP CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 677475735 486887409 /nfs/dbraw/zinc/88/74/09/486887409.db2.gz BOUGLGBGZIAZBF-SNVBAGLBSA-N 2 2 193.294 1.619 10 0 ADAELP CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 677475735 486887412 /nfs/dbraw/zinc/88/74/12/486887412.db2.gz BOUGLGBGZIAZBF-SNVBAGLBSA-N 2 2 193.294 1.619 10 0 ADAELP CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 677475734 486887558 /nfs/dbraw/zinc/88/75/58/486887558.db2.gz BOUGLGBGZIAZBF-JTQLQIEISA-N 2 2 193.294 1.619 10 0 ADAELP CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 677475734 486887562 /nfs/dbraw/zinc/88/75/62/486887562.db2.gz BOUGLGBGZIAZBF-JTQLQIEISA-N 2 2 193.294 1.619 10 0 ADAELP C[C@H](CCC[NH3+])Nc1cccc[nH+]1 87362240 486894189 /nfs/dbraw/zinc/89/41/89/486894189.db2.gz LVFVFMWRMOIXPR-SECBINFHSA-N 2 2 179.267 1.621 10 0 ADAELP C[C@@H](CCC[NH3+])Nc1cccc[nH+]1 87362239 486894583 /nfs/dbraw/zinc/89/45/83/486894583.db2.gz LVFVFMWRMOIXPR-VIFPVBQESA-N 2 2 179.267 1.621 10 0 ADAELP Cc1cc(N[C@@H](C)CCC[NH3+])nc[nH+]1 87362215 486894653 /nfs/dbraw/zinc/89/46/53/486894653.db2.gz ZDCYTCQZDOEWHV-QMMMGPOBSA-N 2 2 194.282 1.324 10 0 ADAELP Cc1cc(N[C@H](C)CCC[NH3+])nc[nH+]1 87362216 486894669 /nfs/dbraw/zinc/89/46/69/486894669.db2.gz ZDCYTCQZDOEWHV-MRVPVSSYSA-N 2 2 194.282 1.324 10 0 ADAELP Cc1nc(N[C@@H](C)CCC[NH3+])cc[nH+]1 87362253 486894693 /nfs/dbraw/zinc/89/46/93/486894693.db2.gz FXRRVAHMJUXPCA-QMMMGPOBSA-N 2 2 194.282 1.324 10 0 ADAELP Cc1nc(N[C@H](C)CCC[NH3+])cc[nH+]1 87362254 486895597 /nfs/dbraw/zinc/89/55/97/486895597.db2.gz FXRRVAHMJUXPCA-MRVPVSSYSA-N 2 2 194.282 1.324 10 0 ADAELP C[N@H+](CCn1cc[nH+]c1)CC1CC1 677980495 486911117 /nfs/dbraw/zinc/91/11/17/486911117.db2.gz CPMCGNLFFUIJAA-UHFFFAOYSA-N 2 2 179.267 1.225 10 0 ADAELP C[N@@H+](CCn1cc[nH+]c1)CC1CC1 677980495 486911122 /nfs/dbraw/zinc/91/11/22/486911122.db2.gz CPMCGNLFFUIJAA-UHFFFAOYSA-N 2 2 179.267 1.225 10 0 ADAELP CC(C)[C@H]([NH2+]CC[NH3+])c1cccnc1 146283129 486952039 /nfs/dbraw/zinc/95/20/39/486952039.db2.gz AZCRLWGRTJHZHL-NSHDSACASA-N 2 2 193.294 1.327 10 0 ADAELP CC(C)[C@@H]([NH2+]CC[NH3+])c1cccnc1 146282940 486952084 /nfs/dbraw/zinc/95/20/84/486952084.db2.gz AZCRLWGRTJHZHL-LLVKDONJSA-N 2 2 193.294 1.327 10 0 ADAELP CC(C)[N@@H+]1CCc2[nH+]c[nH]c2C1 147989444 486957994 /nfs/dbraw/zinc/95/79/94/486957994.db2.gz AOMFCRGMILKMDO-UHFFFAOYSA-N 2 2 165.240 1.176 10 0 ADAELP CC(C)[N@H+]1CCc2[nH+]c[nH]c2C1 147989444 486958000 /nfs/dbraw/zinc/95/80/00/486958000.db2.gz AOMFCRGMILKMDO-UHFFFAOYSA-N 2 2 165.240 1.176 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1CC=CCC1 679322913 486959278 /nfs/dbraw/zinc/95/92/78/486959278.db2.gz GBSGOYMWRUMGMV-UHFFFAOYSA-N 2 2 191.278 1.453 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1CC=CCC1 679322913 486959279 /nfs/dbraw/zinc/95/92/79/486959279.db2.gz GBSGOYMWRUMGMV-UHFFFAOYSA-N 2 2 191.278 1.453 10 0 ADAELP C[C@H]([NH3+])C[C@@H](C)Nc1cccc[nH+]1 165718798 486993486 /nfs/dbraw/zinc/99/34/86/486993486.db2.gz KGBSSJJPWYICJH-DTWKUNHWSA-N 2 2 179.267 1.619 10 0 ADAELP C[C@@H]([NH3+])C[C@@H](C)Nc1cccc[nH+]1 165718937 486993579 /nfs/dbraw/zinc/99/35/79/486993579.db2.gz KGBSSJJPWYICJH-RKDXNWHRSA-N 2 2 179.267 1.619 10 0 ADAELP C[C@H]([NH3+])C[C@H](C)Nc1cccc[nH+]1 165719053 486993598 /nfs/dbraw/zinc/99/35/98/486993598.db2.gz KGBSSJJPWYICJH-IUCAKERBSA-N 2 2 179.267 1.619 10 0 ADAELP C[C@@H](C[C@@H](C)[NH3+])Nc1cccc[nH+]1 165719182 486993659 /nfs/dbraw/zinc/99/36/59/486993659.db2.gz KGBSSJJPWYICJH-BDAKNGLRSA-N 2 2 179.267 1.619 10 0 ADAELP C[Si](C)(n1cc[nH+]c1)n1cc[nH+]c1 196501239 487011421 /nfs/dbraw/zinc/01/14/21/487011421.db2.gz KSAXRSCCGNYTLK-UHFFFAOYSA-N 2 2 192.298 1.178 10 0 ADAELP C[C@H]1c2ccccc2CC[N@@H+]1CC[NH3+] 205017557 487019840 /nfs/dbraw/zinc/01/98/40/487019840.db2.gz GCTOAOZHSWROAB-JTQLQIEISA-N 2 2 190.290 1.564 10 0 ADAELP C[C@H]1c2ccccc2CC[N@H+]1CC[NH3+] 205017557 487019832 /nfs/dbraw/zinc/01/98/32/487019832.db2.gz GCTOAOZHSWROAB-JTQLQIEISA-N 2 2 190.290 1.564 10 0 ADAELP C[C@@H]1c2ccccc2CC[N@H+]1CC[NH3+] 205017542 487019872 /nfs/dbraw/zinc/01/98/72/487019872.db2.gz GCTOAOZHSWROAB-SNVBAGLBSA-N 2 2 190.290 1.564 10 0 ADAELP C[C@@H]1c2ccccc2CC[N@@H+]1CC[NH3+] 205017542 487019878 /nfs/dbraw/zinc/01/98/78/487019878.db2.gz GCTOAOZHSWROAB-SNVBAGLBSA-N 2 2 190.290 1.564 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)C(C)C)C1 226708294 487053943 /nfs/dbraw/zinc/05/39/43/487053943.db2.gz PQFXNMVYWRCPIF-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 226708294 487053950 /nfs/dbraw/zinc/05/39/50/487053950.db2.gz PQFXNMVYWRCPIF-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C1CC([NH2+]C[C@H](C)[NH+](C)C)C1 232563721 487083237 /nfs/dbraw/zinc/08/32/37/487083237.db2.gz PLHBUARBMBZKTF-UNXYVOJBSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C1 235087944 487100565 /nfs/dbraw/zinc/10/05/65/487100565.db2.gz VXGHINKTSWLZJZ-NKWVEPMBSA-N 2 2 196.216 1.279 10 0 ADAELP C[C@@H](CC(F)(F)F)[NH2+][C@H]1CC[NH2+]C1 235092464 487100894 /nfs/dbraw/zinc/10/08/94/487100894.db2.gz VXGHINKTSWLZJZ-BQBZGAKWSA-N 2 2 196.216 1.279 10 0 ADAELP C[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[NH2+]C1 235466109 487104420 /nfs/dbraw/zinc/10/44/20/487104420.db2.gz VXGHINKTSWLZJZ-RNFRBKRXSA-N 2 2 196.216 1.279 10 0 ADAELP C[C@H](CC(F)(F)F)[NH2+][C@H]1CC[NH2+]C1 235468977 487104936 /nfs/dbraw/zinc/10/49/36/487104936.db2.gz VXGHINKTSWLZJZ-RQJHMYQMSA-N 2 2 196.216 1.279 10 0 ADAELP Cc1cc(NCC2([NH3+])CCC2)nc[nH+]1 235866739 487107359 /nfs/dbraw/zinc/10/73/59/487107359.db2.gz LWRHGCXNUATSAH-UHFFFAOYSA-N 2 2 192.266 1.078 10 0 ADAELP Cc1nc(NCC2([NH3+])CCC2)cc[nH+]1 235972157 487107593 /nfs/dbraw/zinc/10/75/93/487107593.db2.gz ZNQKCDSCZMNUGL-UHFFFAOYSA-N 2 2 192.266 1.078 10 0 ADAELP C[C@@H]1C[C@@H](C)[NH+]1CCCn1cc[nH+]c1 684208818 487112791 /nfs/dbraw/zinc/11/27/91/487112791.db2.gz SSJWQJUJOSXWIO-GHMZBOCLSA-N 2 2 193.294 1.756 10 0 ADAELP C[C@H]1C[C@@H](C)[N@@H+]1CCCn1cc[nH+]c1 684208819 487113346 /nfs/dbraw/zinc/11/33/46/487113346.db2.gz SSJWQJUJOSXWIO-PHIMTYICSA-N 2 2 193.294 1.756 10 0 ADAELP C[C@H]1C[C@@H](C)[N@H+]1CCCn1cc[nH+]c1 684208819 487113349 /nfs/dbraw/zinc/11/33/49/487113349.db2.gz SSJWQJUJOSXWIO-PHIMTYICSA-N 2 2 193.294 1.756 10 0 ADAELP C[C@H]1C[C@H](C)[NH+]1CCCn1cc[nH+]c1 684208820 487113483 /nfs/dbraw/zinc/11/34/83/487113483.db2.gz SSJWQJUJOSXWIO-QWRGUYRKSA-N 2 2 193.294 1.756 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)C(C)C)C1 251337787 487117321 /nfs/dbraw/zinc/11/73/21/487117321.db2.gz PQFXNMVYWRCPIF-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)C(C)C)C1 251337787 487117325 /nfs/dbraw/zinc/11/73/25/487117325.db2.gz PQFXNMVYWRCPIF-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)o1 259056685 487136757 /nfs/dbraw/zinc/13/67/57/487136757.db2.gz QAMSSXKKFIUDIX-SNVBAGLBSA-N 2 2 194.278 1.082 10 0 ADAELP Cc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)o1 259056683 487137381 /nfs/dbraw/zinc/13/73/81/487137381.db2.gz QAMSSXKKFIUDIX-JTQLQIEISA-N 2 2 194.278 1.082 10 0 ADAELP [NH3+]CC[NH+]1CCC(C2CCC2)CC1 259242390 487138630 /nfs/dbraw/zinc/13/86/30/487138630.db2.gz NEHKSECDKBWSQY-UHFFFAOYSA-N 2 2 182.311 1.457 10 0 ADAELP CCCC[N@H+](C)CCc1c[nH+]cn1C 685417000 487144016 /nfs/dbraw/zinc/14/40/16/487144016.db2.gz OURHMHFMXCZIEO-UHFFFAOYSA-N 2 2 195.310 1.695 10 0 ADAELP CCCC[N@@H+](C)CCc1c[nH+]cn1C 685417000 487144020 /nfs/dbraw/zinc/14/40/20/487144020.db2.gz OURHMHFMXCZIEO-UHFFFAOYSA-N 2 2 195.310 1.695 10 0 ADAELP FC1(C[N@@H+]2CCn3c[nH+]cc3C2)CC1 685850124 487150555 /nfs/dbraw/zinc/15/05/55/487150555.db2.gz KWYAHYULJSRJQY-UHFFFAOYSA-N 2 2 195.241 1.201 10 0 ADAELP FC1(C[N@H+]2CCn3c[nH+]cc3C2)CC1 685850124 487150557 /nfs/dbraw/zinc/15/05/57/487150557.db2.gz KWYAHYULJSRJQY-UHFFFAOYSA-N 2 2 195.241 1.201 10 0 ADAELP CC(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 306454217 487157183 /nfs/dbraw/zinc/15/71/83/487157183.db2.gz ZCLBHHXYSRAVSU-ZJUUUORDSA-N 2 2 170.300 1.182 10 0 ADAELP CC(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 306454213 487156961 /nfs/dbraw/zinc/15/69/61/487156961.db2.gz ZCLBHHXYSRAVSU-UWVGGRQHSA-N 2 2 170.300 1.182 10 0 ADAELP CC(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 306454213 487156964 /nfs/dbraw/zinc/15/69/64/487156964.db2.gz ZCLBHHXYSRAVSU-UWVGGRQHSA-N 2 2 170.300 1.182 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 306454211 487157004 /nfs/dbraw/zinc/15/70/04/487157004.db2.gz ZCLBHHXYSRAVSU-NXEZZACHSA-N 2 2 170.300 1.182 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 306454211 487157009 /nfs/dbraw/zinc/15/70/09/487157009.db2.gz ZCLBHHXYSRAVSU-NXEZZACHSA-N 2 2 170.300 1.182 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 306454215 487157057 /nfs/dbraw/zinc/15/70/57/487157057.db2.gz ZCLBHHXYSRAVSU-VHSXEESVSA-N 2 2 170.300 1.182 10 0 ADAELP CC(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 306454215 487157060 /nfs/dbraw/zinc/15/70/60/487157060.db2.gz ZCLBHHXYSRAVSU-VHSXEESVSA-N 2 2 170.300 1.182 10 0 ADAELP CC(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C 306454217 487157178 /nfs/dbraw/zinc/15/71/78/487157178.db2.gz ZCLBHHXYSRAVSU-ZJUUUORDSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@@H]1C[C@@H](C)[NH+]1CCn1cc[nH+]c1 306480040 487158239 /nfs/dbraw/zinc/15/82/39/487158239.db2.gz IRHFITQMJRVKIP-NXEZZACHSA-N 2 2 179.267 1.366 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](C)C(C)(C)C 306557341 487160663 /nfs/dbraw/zinc/16/06/63/487160663.db2.gz HCYHAAODVJVSBI-MXWKQRLJSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](C)C(C)(C)C 306557341 487160666 /nfs/dbraw/zinc/16/06/66/487160666.db2.gz HCYHAAODVJVSBI-MXWKQRLJSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](C)C(C)(C)C 306557340 487160840 /nfs/dbraw/zinc/16/08/40/487160840.db2.gz HCYHAAODVJVSBI-GMTAPVOTSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](C)C(C)(C)C 306557340 487160842 /nfs/dbraw/zinc/16/08/42/487160842.db2.gz HCYHAAODVJVSBI-GMTAPVOTSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CC1 306646359 487162659 /nfs/dbraw/zinc/16/26/59/487162659.db2.gz BOBFWZNLSUGREU-YWVKMMECSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 306646359 487162663 /nfs/dbraw/zinc/16/26/63/487162663.db2.gz BOBFWZNLSUGREU-YWVKMMECSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CC1 306646326 487163217 /nfs/dbraw/zinc/16/32/17/487163217.db2.gz BOBFWZNLSUGREU-KKZNHRDASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 306646326 487163221 /nfs/dbraw/zinc/16/32/21/487163221.db2.gz BOBFWZNLSUGREU-KKZNHRDASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CC1 306646343 487163248 /nfs/dbraw/zinc/16/32/48/487163248.db2.gz BOBFWZNLSUGREU-WCABBAIRSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CC1 306646343 487163250 /nfs/dbraw/zinc/16/32/50/487163250.db2.gz BOBFWZNLSUGREU-WCABBAIRSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CC1 306646307 487163261 /nfs/dbraw/zinc/16/32/61/487163261.db2.gz BOBFWZNLSUGREU-FXPVBKGRSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CC1 306646307 487163263 /nfs/dbraw/zinc/16/32/63/487163263.db2.gz BOBFWZNLSUGREU-FXPVBKGRSA-N 2 2 182.311 1.325 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 307111070 487174151 /nfs/dbraw/zinc/17/41/51/487174151.db2.gz ODJXHSKPPXXYIS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C)C1 307111070 487174153 /nfs/dbraw/zinc/17/41/53/487174153.db2.gz ODJXHSKPPXXYIS-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 307111071 487174224 /nfs/dbraw/zinc/17/42/24/487174224.db2.gz ODJXHSKPPXXYIS-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C)C1 307111071 487174227 /nfs/dbraw/zinc/17/42/27/487174227.db2.gz ODJXHSKPPXXYIS-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 307111072 487174240 /nfs/dbraw/zinc/17/42/40/487174240.db2.gz ODJXHSKPPXXYIS-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C)C1 307111072 487174241 /nfs/dbraw/zinc/17/42/41/487174241.db2.gz ODJXHSKPPXXYIS-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 307111068 487174246 /nfs/dbraw/zinc/17/42/46/487174246.db2.gz ODJXHSKPPXXYIS-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C)C1 307111068 487174247 /nfs/dbraw/zinc/17/42/47/487174247.db2.gz ODJXHSKPPXXYIS-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 307359492 487179713 /nfs/dbraw/zinc/17/97/13/487179713.db2.gz FJDFRCXUJMGLON-FIQHERPVSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 307359492 487179715 /nfs/dbraw/zinc/17/97/15/487179715.db2.gz FJDFRCXUJMGLON-FIQHERPVSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 307359494 487179768 /nfs/dbraw/zinc/17/97/68/487179768.db2.gz FJDFRCXUJMGLON-WHOHXGKFSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 307359494 487179770 /nfs/dbraw/zinc/17/97/70/487179770.db2.gz FJDFRCXUJMGLON-WHOHXGKFSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 307359493 487179777 /nfs/dbraw/zinc/17/97/77/487179777.db2.gz FJDFRCXUJMGLON-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 307359493 487179780 /nfs/dbraw/zinc/17/97/80/487179780.db2.gz FJDFRCXUJMGLON-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 307359495 487179788 /nfs/dbraw/zinc/17/97/88/487179788.db2.gz FJDFRCXUJMGLON-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 307359495 487179791 /nfs/dbraw/zinc/17/97/91/487179791.db2.gz FJDFRCXUJMGLON-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 307602925 487186125 /nfs/dbraw/zinc/18/61/25/487186125.db2.gz XZOIKQGVOCLJPC-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 307602925 487186126 /nfs/dbraw/zinc/18/61/26/487186126.db2.gz XZOIKQGVOCLJPC-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 307602922 487186261 /nfs/dbraw/zinc/18/62/61/487186261.db2.gz XZOIKQGVOCLJPC-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)C2)C1 307602922 487186263 /nfs/dbraw/zinc/18/62/63/487186263.db2.gz XZOIKQGVOCLJPC-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 307602924 487186335 /nfs/dbraw/zinc/18/63/35/487186335.db2.gz XZOIKQGVOCLJPC-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)C2)C1 307602924 487186337 /nfs/dbraw/zinc/18/63/37/487186337.db2.gz XZOIKQGVOCLJPC-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 307602923 487186353 /nfs/dbraw/zinc/18/63/53/487186353.db2.gz XZOIKQGVOCLJPC-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)C2)C1 307602923 487186356 /nfs/dbraw/zinc/18/63/56/487186356.db2.gz XZOIKQGVOCLJPC-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccccc1F 308472291 487201118 /nfs/dbraw/zinc/20/11/18/487201118.db2.gz CEQNPDSISAFSIH-IUCAKERBSA-N 2 2 196.269 1.651 10 0 ADAELP C[C@H]([NH2+]Cc1ccccc1F)[C@@H](C)[NH3+] 308472286 487201165 /nfs/dbraw/zinc/20/11/65/487201165.db2.gz CEQNPDSISAFSIH-BDAKNGLRSA-N 2 2 196.269 1.651 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccccc1F 308472294 487201397 /nfs/dbraw/zinc/20/13/97/487201397.db2.gz CEQNPDSISAFSIH-RKDXNWHRSA-N 2 2 196.269 1.651 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1ccccc1F 308472289 487201515 /nfs/dbraw/zinc/20/15/15/487201515.db2.gz CEQNPDSISAFSIH-DTWKUNHWSA-N 2 2 196.269 1.651 10 0 ADAELP C[NH+](C)CC(C)(C)[NH2+]CCCF 308629319 487205127 /nfs/dbraw/zinc/20/51/27/487205127.db2.gz AJOJCLXFEHZDLX-UHFFFAOYSA-N 2 2 176.279 1.276 10 0 ADAELP CC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 313278433 487208319 /nfs/dbraw/zinc/20/83/19/487208319.db2.gz BCTLBNUDMIHZEH-SECBINFHSA-N 2 2 181.283 1.351 10 0 ADAELP CC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 313278434 487208390 /nfs/dbraw/zinc/20/83/90/487208390.db2.gz BCTLBNUDMIHZEH-VIFPVBQESA-N 2 2 181.283 1.351 10 0 ADAELP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1C[C@H]1C 321177199 487212033 /nfs/dbraw/zinc/21/20/33/487212033.db2.gz ZCRAGMWCVDZRDT-UTLUCORTSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[NH+](C)C 321177198 487212087 /nfs/dbraw/zinc/21/20/87/487212087.db2.gz ZCRAGMWCVDZRDT-OPRDCNLKSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C[C@H]1C 321177197 487212443 /nfs/dbraw/zinc/21/24/43/487212443.db2.gz ZCRAGMWCVDZRDT-KXUCPTDWSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[NH+](C)C 321177196 487212462 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/nfs/dbraw/zinc/21/38/75/487213875.db2.gz KMTIDNKZSUKSCC-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H]1C[C@H]1C 321492534 487214014 /nfs/dbraw/zinc/21/40/14/487214014.db2.gz KMTIDNKZSUKSCC-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@H]1C[C@H]1C 321492538 487214092 /nfs/dbraw/zinc/21/40/92/487214092.db2.gz KMTIDNKZSUKSCC-WOPDTQHZSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@H]1C 322046916 487217449 /nfs/dbraw/zinc/21/74/49/487217449.db2.gz AGQMFICWZYYSJU-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C[C@H]1C 322292426 487220347 /nfs/dbraw/zinc/22/03/47/487220347.db2.gz CMDOLERJHQZNJI-VWYCJHECSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C 322026449 487217061 /nfs/dbraw/zinc/21/70/61/487217061.db2.gz LGFSLRLNOVLHPI-DBIOUOCHSA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1C[C@H]1C 322046916 487217451 /nfs/dbraw/zinc/21/74/51/487217451.db2.gz AGQMFICWZYYSJU-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C 322046896 487217486 /nfs/dbraw/zinc/21/74/86/487217486.db2.gz AGQMFICWZYYSJU-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C 322046896 487217488 /nfs/dbraw/zinc/21/74/88/487217488.db2.gz AGQMFICWZYYSJU-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[NH+](C)C 322026451 487217594 /nfs/dbraw/zinc/21/75/94/487217594.db2.gz LGFSLRLNOVLHPI-YTWAJWBKSA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C 322046903 487217611 /nfs/dbraw/zinc/21/76/11/487217611.db2.gz AGQMFICWZYYSJU-IJLUTSLNSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C 322046903 487217615 /nfs/dbraw/zinc/21/76/15/487217615.db2.gz AGQMFICWZYYSJU-IJLUTSLNSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H]1C[C@H]1C 322026450 487217749 /nfs/dbraw/zinc/21/77/49/487217749.db2.gz LGFSLRLNOVLHPI-RCWTZXSCSA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C 322046909 487217756 /nfs/dbraw/zinc/21/77/56/487217756.db2.gz AGQMFICWZYYSJU-UTUOFQBUSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C 322046909 487217758 /nfs/dbraw/zinc/21/77/58/487217758.db2.gz AGQMFICWZYYSJU-UTUOFQBUSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@H]1C[C@H]1C 322026452 487217819 /nfs/dbraw/zinc/21/78/19/487217819.db2.gz LGFSLRLNOVLHPI-ZNSHCXBVSA-N 2 2 184.327 1.571 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 322215641 487219353 /nfs/dbraw/zinc/21/93/53/487219353.db2.gz VPLCFKLQWLVXRO-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@H]2C)C1 322215641 487219357 /nfs/dbraw/zinc/21/93/57/487219357.db2.gz VPLCFKLQWLVXRO-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 322215640 487219400 /nfs/dbraw/zinc/21/94/00/487219400.db2.gz VPLCFKLQWLVXRO-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C1 322215640 487219404 /nfs/dbraw/zinc/21/94/04/487219404.db2.gz VPLCFKLQWLVXRO-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 322215639 487219520 /nfs/dbraw/zinc/21/95/20/487219520.db2.gz VPLCFKLQWLVXRO-WHOHXGKFSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C)C1 322215639 487219523 /nfs/dbraw/zinc/21/95/23/487219523.db2.gz VPLCFKLQWLVXRO-WHOHXGKFSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 322215638 487219584 /nfs/dbraw/zinc/21/95/84/487219584.db2.gz VPLCFKLQWLVXRO-USZNOCQGSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2C[C@@H]2C)C1 322215638 487219589 /nfs/dbraw/zinc/21/95/89/487219589.db2.gz VPLCFKLQWLVXRO-USZNOCQGSA-N 2 2 196.338 1.715 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C 322317206 487220066 /nfs/dbraw/zinc/22/00/66/487220066.db2.gz FNGAAOUZPDPRIO-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C 322317204 487220118 /nfs/dbraw/zinc/22/01/18/487220118.db2.gz FNGAAOUZPDPRIO-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C 322317203 487220136 /nfs/dbraw/zinc/22/01/36/487220136.db2.gz FNGAAOUZPDPRIO-IJLUTSLNSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H](C)[C@H]1C[C@H]1C 322317207 487220198 /nfs/dbraw/zinc/22/01/98/487220198.db2.gz FNGAAOUZPDPRIO-UTUOFQBUSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C 322292423 487220215 /nfs/dbraw/zinc/22/02/15/487220215.db2.gz CMDOLERJHQZNJI-GMTAPVOTSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C[C@H]1C 322292425 487220355 /nfs/dbraw/zinc/22/03/55/487220355.db2.gz CMDOLERJHQZNJI-OUAUKWLOSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C 322292424 487220534 /nfs/dbraw/zinc/22/05/34/487220534.db2.gz CMDOLERJHQZNJI-MXWKQRLJSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CC1 323777073 487224485 /nfs/dbraw/zinc/22/44/85/487224485.db2.gz ZEHZFCWHCDIMAG-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CC1 323777073 487224488 /nfs/dbraw/zinc/22/44/88/487224488.db2.gz ZEHZFCWHCDIMAG-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CC1 323777075 487224510 /nfs/dbraw/zinc/22/45/10/487224510.db2.gz ZEHZFCWHCDIMAG-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CC1 323777075 487224513 /nfs/dbraw/zinc/22/45/13/487224513.db2.gz ZEHZFCWHCDIMAG-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)C1CC1 323777074 487224759 /nfs/dbraw/zinc/22/47/59/487224759.db2.gz ZEHZFCWHCDIMAG-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C1CC1 323777074 487224763 /nfs/dbraw/zinc/22/47/63/487224763.db2.gz ZEHZFCWHCDIMAG-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C1CC1 323777072 487224833 /nfs/dbraw/zinc/22/48/33/487224833.db2.gz ZEHZFCWHCDIMAG-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C1CC1 323777072 487224834 /nfs/dbraw/zinc/22/48/34/487224834.db2.gz ZEHZFCWHCDIMAG-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 328151161 487226543 /nfs/dbraw/zinc/22/65/43/487226543.db2.gz DNFWHTSQDFSJDU-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1 328151161 487226545 /nfs/dbraw/zinc/22/65/45/487226545.db2.gz DNFWHTSQDFSJDU-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)C1 328151163 487226650 /nfs/dbraw/zinc/22/66/50/487226650.db2.gz DNFWHTSQDFSJDU-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CC2)C1 328151163 487226655 /nfs/dbraw/zinc/22/66/55/487226655.db2.gz DNFWHTSQDFSJDU-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)C1 328151162 487226770 /nfs/dbraw/zinc/22/67/70/487226770.db2.gz DNFWHTSQDFSJDU-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CC2)C1 328151162 487226773 /nfs/dbraw/zinc/22/67/73/487226773.db2.gz DNFWHTSQDFSJDU-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC2)C1 328217029 487226945 /nfs/dbraw/zinc/22/69/45/487226945.db2.gz XDOJHDRJGYUTFH-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCC2)C1 328217029 487226947 /nfs/dbraw/zinc/22/69/47/487226947.db2.gz XDOJHDRJGYUTFH-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 328511168 487227016 /nfs/dbraw/zinc/22/70/16/487227016.db2.gz NTEXRHYUYHEGSH-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 328511168 487227018 /nfs/dbraw/zinc/22/70/18/487227018.db2.gz NTEXRHYUYHEGSH-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 328151165 487227027 /nfs/dbraw/zinc/22/70/27/487227027.db2.gz DNFWHTSQDFSJDU-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1 328151165 487227029 /nfs/dbraw/zinc/22/70/29/487227029.db2.gz DNFWHTSQDFSJDU-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 328166555 487227039 /nfs/dbraw/zinc/22/70/39/487227039.db2.gz IZIIKEJKSJYBLO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C)C1 328166555 487227042 /nfs/dbraw/zinc/22/70/42/487227042.db2.gz IZIIKEJKSJYBLO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC2)C1 328217027 487227097 /nfs/dbraw/zinc/22/70/97/487227097.db2.gz XDOJHDRJGYUTFH-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCC2)C1 328217027 487227100 /nfs/dbraw/zinc/22/71/00/487227100.db2.gz XDOJHDRJGYUTFH-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C1 328356977 487227170 /nfs/dbraw/zinc/22/71/70/487227170.db2.gz PBQBKIRRSVUTJY-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C1 328356977 487227174 /nfs/dbraw/zinc/22/71/74/487227174.db2.gz PBQBKIRRSVUTJY-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 328511167 487227183 /nfs/dbraw/zinc/22/71/83/487227183.db2.gz NTEXRHYUYHEGSH-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 328511167 487227185 /nfs/dbraw/zinc/22/71/85/487227185.db2.gz NTEXRHYUYHEGSH-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 328217025 487227265 /nfs/dbraw/zinc/22/72/65/487227265.db2.gz XDOJHDRJGYUTFH-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCC2)C1 328217025 487227270 /nfs/dbraw/zinc/22/72/70/487227270.db2.gz XDOJHDRJGYUTFH-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1 328166554 487227522 /nfs/dbraw/zinc/22/75/22/487227522.db2.gz IZIIKEJKSJYBLO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 328511166 487227416 /nfs/dbraw/zinc/22/74/16/487227416.db2.gz NTEXRHYUYHEGSH-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 328511166 487227420 /nfs/dbraw/zinc/22/74/20/487227420.db2.gz NTEXRHYUYHEGSH-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCC2)C1 328217028 487227490 /nfs/dbraw/zinc/22/74/90/487227490.db2.gz XDOJHDRJGYUTFH-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCC2)C1 328217028 487227493 /nfs/dbraw/zinc/22/74/93/487227493.db2.gz XDOJHDRJGYUTFH-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C)C1 328166554 487227519 /nfs/dbraw/zinc/22/75/19/487227519.db2.gz IZIIKEJKSJYBLO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 328511165 487227582 /nfs/dbraw/zinc/22/75/82/487227582.db2.gz NTEXRHYUYHEGSH-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 328511165 487227584 /nfs/dbraw/zinc/22/75/84/487227584.db2.gz NTEXRHYUYHEGSH-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C1 328356974 487227651 /nfs/dbraw/zinc/22/76/51/487227651.db2.gz PBQBKIRRSVUTJY-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C1 328356974 487227652 /nfs/dbraw/zinc/22/76/52/487227652.db2.gz PBQBKIRRSVUTJY-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]CC(C)C)C1 328518707 487228060 /nfs/dbraw/zinc/22/80/60/487228060.db2.gz QROMQFBGDMWGKY-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)C)C1 328518708 487228028 /nfs/dbraw/zinc/22/80/28/487228028.db2.gz QROMQFBGDMWGKY-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+]CC(C)C)C1 328518708 487228031 /nfs/dbraw/zinc/22/80/31/487228031.db2.gz QROMQFBGDMWGKY-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]CC(C)C)C1 328518707 487228061 /nfs/dbraw/zinc/22/80/61/487228061.db2.gz QROMQFBGDMWGKY-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@H]1C 335931096 487232080 /nfs/dbraw/zinc/23/20/80/487232080.db2.gz VLNUPYGTUAUUHK-VHSXEESVSA-N 2 2 193.294 1.532 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@H]1C 335931096 487232084 /nfs/dbraw/zinc/23/20/84/487232084.db2.gz VLNUPYGTUAUUHK-VHSXEESVSA-N 2 2 193.294 1.532 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)[C@@H]1C 335931097 487232092 /nfs/dbraw/zinc/23/20/92/487232092.db2.gz VLNUPYGTUAUUHK-ZJUUUORDSA-N 2 2 193.294 1.532 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)[C@@H]1C 335931097 487232093 /nfs/dbraw/zinc/23/20/93/487232093.db2.gz VLNUPYGTUAUUHK-ZJUUUORDSA-N 2 2 193.294 1.532 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@@H]1C 335931095 487232116 /nfs/dbraw/zinc/23/21/16/487232116.db2.gz VLNUPYGTUAUUHK-UWVGGRQHSA-N 2 2 193.294 1.532 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@@H]1C 335931095 487232119 /nfs/dbraw/zinc/23/21/19/487232119.db2.gz VLNUPYGTUAUUHK-UWVGGRQHSA-N 2 2 193.294 1.532 10 0 ADAELP CC(C)C[NH2+]CCc1cn(C)c[nH+]1 379352924 487239246 /nfs/dbraw/zinc/23/92/46/487239246.db2.gz DFNAWBZFUGTPCP-UHFFFAOYSA-N 2 2 181.283 1.208 10 0 ADAELP CC(C)C1([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 379468567 487243409 /nfs/dbraw/zinc/24/34/09/487243409.db2.gz SNTDVNIWABTRAY-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C1([NH2+]C[C@H]2CCC[N@H+]2C)CC1 379468567 487243412 /nfs/dbraw/zinc/24/34/12/487243412.db2.gz SNTDVNIWABTRAY-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C1([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 379468568 487244387 /nfs/dbraw/zinc/24/43/87/487244387.db2.gz SNTDVNIWABTRAY-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)C1([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 379468568 487244391 /nfs/dbraw/zinc/24/43/91/487244391.db2.gz SNTDVNIWABTRAY-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] 379548628 487245089 /nfs/dbraw/zinc/24/50/89/487245089.db2.gz ZACLJVMDQKWCRP-ZJUUUORDSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)[NH3+] 379548624 487245125 /nfs/dbraw/zinc/24/51/25/487245125.db2.gz ZACLJVMDQKWCRP-NXEZZACHSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)[NH3+] 379548626 487245148 /nfs/dbraw/zinc/24/51/48/487245148.db2.gz ZACLJVMDQKWCRP-UWVGGRQHSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ccncc1C[NH2+][C@H](C)[C@H](C)[NH3+] 379548627 487245190 /nfs/dbraw/zinc/24/51/90/487245190.db2.gz ZACLJVMDQKWCRP-VHSXEESVSA-N 2 2 193.294 1.215 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C 379574179 487245597 /nfs/dbraw/zinc/24/55/97/487245597.db2.gz JDCUISPLSWOWCP-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 379574181 487245946 /nfs/dbraw/zinc/24/59/46/487245946.db2.gz JDCUISPLSWOWCP-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 382028180 487249093 /nfs/dbraw/zinc/24/90/93/487249093.db2.gz CBFDKFHXZQFQHB-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 382028180 487249095 /nfs/dbraw/zinc/24/90/95/487249095.db2.gz CBFDKFHXZQFQHB-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C1 382028178 487249127 /nfs/dbraw/zinc/24/91/27/487249127.db2.gz CBFDKFHXZQFQHB-DCAQKATOSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C1 382028178 487249128 /nfs/dbraw/zinc/24/91/28/487249128.db2.gz CBFDKFHXZQFQHB-DCAQKATOSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2C)C1 382028176 487249142 /nfs/dbraw/zinc/24/91/42/487249142.db2.gz CBFDKFHXZQFQHB-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2C)C1 382028176 487249143 /nfs/dbraw/zinc/24/91/43/487249143.db2.gz CBFDKFHXZQFQHB-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 382028182 487249376 /nfs/dbraw/zinc/24/93/76/487249376.db2.gz CBFDKFHXZQFQHB-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 382028182 487249379 /nfs/dbraw/zinc/24/93/79/487249379.db2.gz CBFDKFHXZQFQHB-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]CC2CC2)C1 382274347 487249830 /nfs/dbraw/zinc/24/98/30/487249830.db2.gz HUUHSPVYRDCPMO-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]CC2CC2)C1 382274347 487249833 /nfs/dbraw/zinc/24/98/33/487249833.db2.gz HUUHSPVYRDCPMO-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 382306656 487249853 /nfs/dbraw/zinc/24/98/53/487249853.db2.gz OXUFOBDASGNXCJ-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CC2)C1 382306656 487249856 /nfs/dbraw/zinc/24/98/56/487249856.db2.gz OXUFOBDASGNXCJ-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 382306654 487249953 /nfs/dbraw/zinc/24/99/53/487249953.db2.gz OXUFOBDASGNXCJ-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CC2)C1 382306654 487249957 /nfs/dbraw/zinc/24/99/57/487249957.db2.gz OXUFOBDASGNXCJ-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC2)C1 382274349 487250103 /nfs/dbraw/zinc/25/01/03/487250103.db2.gz HUUHSPVYRDCPMO-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+]CC2CC2)C1 382274349 487250106 /nfs/dbraw/zinc/25/01/06/487250106.db2.gz HUUHSPVYRDCPMO-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]([NH2+]Cc1cccc(O)c1)[C@@H](C)[NH3+] 383934097 487252224 /nfs/dbraw/zinc/25/22/24/487252224.db2.gz KBAVAIJDFJVCMT-BDAKNGLRSA-N 2 2 194.278 1.218 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(O)c1 383934100 487252637 /nfs/dbraw/zinc/25/26/37/487252637.db2.gz KBAVAIJDFJVCMT-RKDXNWHRSA-N 2 2 194.278 1.218 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(O)c1 383934098 487252874 /nfs/dbraw/zinc/25/28/74/487252874.db2.gz KBAVAIJDFJVCMT-DTWKUNHWSA-N 2 2 194.278 1.218 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(O)c1 383934099 487252894 /nfs/dbraw/zinc/25/28/94/487252894.db2.gz KBAVAIJDFJVCMT-IUCAKERBSA-N 2 2 194.278 1.218 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2CC2)C1 393235623 487265574 /nfs/dbraw/zinc/26/55/74/487265574.db2.gz ATFOHFHCGUQCEK-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+]Cc1ccsc1)[C@@H](C)[NH3+] 388508963 487259861 /nfs/dbraw/zinc/25/98/61/487259861.db2.gz QBCTYLIIZLVQEL-SFYZADRCSA-N 2 2 184.308 1.573 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1ccsc1 388508962 487259869 /nfs/dbraw/zinc/25/98/69/487259869.db2.gz QBCTYLIIZLVQEL-JGVFFNPUSA-N 2 2 184.308 1.573 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccsc1 388508961 487259901 /nfs/dbraw/zinc/25/99/01/487259901.db2.gz QBCTYLIIZLVQEL-HTQZYQBOSA-N 2 2 184.308 1.573 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+]CC1(C)CCC1 388668535 487260277 /nfs/dbraw/zinc/26/02/77/487260277.db2.gz XHEHOTLJINGBNR-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccsc1 388508964 487260643 /nfs/dbraw/zinc/26/06/43/487260643.db2.gz QBCTYLIIZLVQEL-YUMQZZPRSA-N 2 2 184.308 1.573 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 389286315 487263560 /nfs/dbraw/zinc/26/35/60/487263560.db2.gz VSQAXTMEUOIPFQ-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 389286312 487263589 /nfs/dbraw/zinc/26/35/89/487263589.db2.gz VSQAXTMEUOIPFQ-NEPJUHHUSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 389286320 487263615 /nfs/dbraw/zinc/26/36/15/487263615.db2.gz VSQAXTMEUOIPFQ-VXGBXAGGSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 389286318 487263628 /nfs/dbraw/zinc/26/36/28/487263628.db2.gz VSQAXTMEUOIPFQ-RYUDHWBXSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc[nH]c2)C1 389379511 487264201 /nfs/dbraw/zinc/26/42/01/487264201.db2.gz MSZRDPMBFFMJCH-LLVKDONJSA-N 2 2 193.294 1.199 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc[nH]c2)C1 389379511 487264203 /nfs/dbraw/zinc/26/42/03/487264203.db2.gz MSZRDPMBFFMJCH-LLVKDONJSA-N 2 2 193.294 1.199 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 389379514 487264557 /nfs/dbraw/zinc/26/45/57/487264557.db2.gz MSZRDPMBFFMJCH-NSHDSACASA-N 2 2 193.294 1.199 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc[nH]c2)C1 389379514 487264559 /nfs/dbraw/zinc/26/45/59/487264559.db2.gz MSZRDPMBFFMJCH-NSHDSACASA-N 2 2 193.294 1.199 10 0 ADAELP CCC(CC)[NH2+][C@H]1CC[N@H+](CC)C1 393247543 487265045 /nfs/dbraw/zinc/26/50/45/487265045.db2.gz PELVFSLGKUJSNF-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[NH2+][C@H]1CC[N@@H+](CC)C1 393247543 487265049 /nfs/dbraw/zinc/26/50/49/487265049.db2.gz PELVFSLGKUJSNF-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 393254328 487265100 /nfs/dbraw/zinc/26/51/00/487265100.db2.gz ZMDNEBNICROFST-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 393254328 487265104 /nfs/dbraw/zinc/26/51/04/487265104.db2.gz ZMDNEBNICROFST-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)C)C1 393246397 487265361 /nfs/dbraw/zinc/26/53/61/487265361.db2.gz SXBUZWHCVIVCPI-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(C)C)C1 393246397 487265363 /nfs/dbraw/zinc/26/53/63/487265363.db2.gz SXBUZWHCVIVCPI-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 393235619 487265505 /nfs/dbraw/zinc/26/55/05/487265505.db2.gz ATFOHFHCGUQCEK-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CC2)C1 393235619 487265508 /nfs/dbraw/zinc/26/55/08/487265508.db2.gz ATFOHFHCGUQCEK-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 393254332 487265523 /nfs/dbraw/zinc/26/55/23/487265523.db2.gz ZMDNEBNICROFST-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 393254332 487265524 /nfs/dbraw/zinc/26/55/24/487265524.db2.gz ZMDNEBNICROFST-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 393254330 487265562 /nfs/dbraw/zinc/26/55/62/487265562.db2.gz ZMDNEBNICROFST-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 393254330 487265565 /nfs/dbraw/zinc/26/55/65/487265565.db2.gz ZMDNEBNICROFST-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2CC2)C1 393235623 487265576 /nfs/dbraw/zinc/26/55/76/487265576.db2.gz ATFOHFHCGUQCEK-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 393254334 487265601 /nfs/dbraw/zinc/26/56/01/487265601.db2.gz ZMDNEBNICROFST-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 393254334 487265604 /nfs/dbraw/zinc/26/56/04/487265604.db2.gz ZMDNEBNICROFST-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)C)C1 393246395 487265645 /nfs/dbraw/zinc/26/56/45/487265645.db2.gz SXBUZWHCVIVCPI-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C(C)C)C1 393246395 487265648 /nfs/dbraw/zinc/26/56/48/487265648.db2.gz SXBUZWHCVIVCPI-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C(C)C)C1 393246394 487265653 /nfs/dbraw/zinc/26/56/53/487265653.db2.gz SXBUZWHCVIVCPI-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C(C)C)C1 393246394 487265656 /nfs/dbraw/zinc/26/56/56/487265656.db2.gz SXBUZWHCVIVCPI-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 393235621 487265689 /nfs/dbraw/zinc/26/56/89/487265689.db2.gz ATFOHFHCGUQCEK-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CC2)C1 393235621 487265692 /nfs/dbraw/zinc/26/56/92/487265692.db2.gz ATFOHFHCGUQCEK-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)C)C1 393246399 487265704 /nfs/dbraw/zinc/26/57/04/487265704.db2.gz SXBUZWHCVIVCPI-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)C)C1 393246399 487265707 /nfs/dbraw/zinc/26/57/07/487265707.db2.gz SXBUZWHCVIVCPI-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CCC(CC)[NH2+][C@@H]1CC[N@H+](CC)C1 393247541 487265763 /nfs/dbraw/zinc/26/57/63/487265763.db2.gz PELVFSLGKUJSNF-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[NH2+][C@@H]1CC[N@@H+](CC)C1 393247541 487265766 /nfs/dbraw/zinc/26/57/66/487265766.db2.gz PELVFSLGKUJSNF-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CC1(C)C 397634507 487277904 /nfs/dbraw/zinc/27/79/04/487277904.db2.gz VQWKXELDCXHJGN-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CC1(C)C 397634509 487277933 /nfs/dbraw/zinc/27/79/33/487277933.db2.gz VQWKXELDCXHJGN-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CC1(C)C 397634510 487277972 /nfs/dbraw/zinc/27/79/72/487277972.db2.gz VQWKXELDCXHJGN-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H]([NH2+]CC[NH+](C)C)[C@H]1CC1(C)C 397634508 487278047 /nfs/dbraw/zinc/27/80/47/487278047.db2.gz VQWKXELDCXHJGN-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 397887054 487280433 /nfs/dbraw/zinc/28/04/33/487280433.db2.gz NCRPNSRNPFTJAH-MXWKQRLJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 397874794 487280575 /nfs/dbraw/zinc/28/05/75/487280575.db2.gz HJZMEUPMGGAWOE-VIFPVBQESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 397887053 487280615 /nfs/dbraw/zinc/28/06/15/487280615.db2.gz NCRPNSRNPFTJAH-GMTAPVOTSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1C[C@H]1C 397887056 487280634 /nfs/dbraw/zinc/28/06/34/487280634.db2.gz NCRPNSRNPFTJAH-VWYCJHECSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH+](C)C1(C[NH2+]CC2(C)CCC2)CC1 397825611 487280748 /nfs/dbraw/zinc/28/07/48/487280748.db2.gz WDBAAGGMPUDBMX-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1C[C@H]1C 397887055 487280831 /nfs/dbraw/zinc/28/08/31/487280831.db2.gz NCRPNSRNPFTJAH-OUAUKWLOSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 397874792 487280873 /nfs/dbraw/zinc/28/08/73/487280873.db2.gz HJZMEUPMGGAWOE-SECBINFHSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH+](C)C1(C[NH2+][C@H]2CCC2(C)C)CC1 397948000 487281224 /nfs/dbraw/zinc/28/12/24/487281224.db2.gz VBTHOLSAPQKGJB-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]CC1([NH+](C)C)CC1 397940492 487281429 /nfs/dbraw/zinc/28/14/29/487281429.db2.gz PXUXMKIQDQPUOO-OUAUKWLOSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CC2([NH+](C)C)CC2)C[C@H]1C 397940494 487281575 /nfs/dbraw/zinc/28/15/75/487281575.db2.gz PXUXMKIQDQPUOO-VWYCJHECSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)[C@@H]1C 397940488 487281597 /nfs/dbraw/zinc/28/15/97/487281597.db2.gz PXUXMKIQDQPUOO-GMTAPVOTSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)[C@@H]1C 397940491 487281692 /nfs/dbraw/zinc/28/16/92/487281692.db2.gz PXUXMKIQDQPUOO-MXWKQRLJSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC2(C)C)CC1 397948002 487281813 /nfs/dbraw/zinc/28/18/13/487281813.db2.gz VBTHOLSAPQKGJB-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])nc1 400816135 487287764 /nfs/dbraw/zinc/28/77/64/487287764.db2.gz AKMKZKCESHPTJR-VHSXEESVSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])nc1 400816123 487287868 /nfs/dbraw/zinc/28/78/68/487287868.db2.gz AKMKZKCESHPTJR-NXEZZACHSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])nc1 400816137 487287898 /nfs/dbraw/zinc/28/78/98/487287898.db2.gz AKMKZKCESHPTJR-ZJUUUORDSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])nc1 400816133 487288009 /nfs/dbraw/zinc/28/80/09/487288009.db2.gz AKMKZKCESHPTJR-UWVGGRQHSA-N 2 2 193.294 1.215 10 0 ADAELP c1coc(C[NH2+]CCC[NH+]2CCC2)c1 655755248 487311785 /nfs/dbraw/zinc/31/17/85/487311785.db2.gz UXZYCYSAPBGXGV-UHFFFAOYSA-N 2 2 194.278 1.465 10 0 ADAELP C[NH+](C)C1CC([NH2+]Cc2cc[nH]c2)C1 655792378 487312141 /nfs/dbraw/zinc/31/21/41/487312141.db2.gz KMIJHJPPXLLKSD-UHFFFAOYSA-N 2 2 193.294 1.197 10 0 ADAELP C[NH+](C)C1CC([NH2+]CC2(F)CC2)C1 655792456 487312204 /nfs/dbraw/zinc/31/22/04/487312204.db2.gz YHBSBHSSJXTESY-UHFFFAOYSA-N 2 2 186.274 1.171 10 0 ADAELP C[NH+](C)C1CC([NH2+]Cc2ccco2)C1 655790510 487312305 /nfs/dbraw/zinc/31/23/05/487312305.db2.gz NBDKSNMUAPERTQ-UHFFFAOYSA-N 2 2 194.278 1.462 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1C[C@H]1C 666137229 487320560 /nfs/dbraw/zinc/32/05/60/487320560.db2.gz GFUMODSUXCFXAE-LMLFDSFASA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1C[C@H]1C 666137236 487320615 /nfs/dbraw/zinc/32/06/15/487320615.db2.gz GFUMODSUXCFXAE-YTWAJWBKSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1C[C@H]1C 666137235 487320720 /nfs/dbraw/zinc/32/07/20/487320720.db2.gz GFUMODSUXCFXAE-VPOLOUISSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1C[C@H]1C 666137233 487320799 /nfs/dbraw/zinc/32/07/99/487320799.db2.gz GFUMODSUXCFXAE-RCWTZXSCSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC1(C)C 666201488 487324545 /nfs/dbraw/zinc/32/45/45/487324545.db2.gz IFNCAIGAZTZQOU-AEJSXWLSSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC1(C)C 666201488 487324548 /nfs/dbraw/zinc/32/45/48/487324548.db2.gz IFNCAIGAZTZQOU-AEJSXWLSSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC1(C)C 666201489 487324659 /nfs/dbraw/zinc/32/46/59/487324659.db2.gz IFNCAIGAZTZQOU-GUBZILKMSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC1(C)C 666201489 487324661 /nfs/dbraw/zinc/32/46/61/487324661.db2.gz IFNCAIGAZTZQOU-GUBZILKMSA-N 2 2 182.311 1.325 10 0 ADAELP CC(C)[C@H]([NH3+])C[NH2+]CC1(F)CC1 666741294 487333106 /nfs/dbraw/zinc/33/31/06/487333106.db2.gz LYQAKUOSCBQNFJ-MRVPVSSYSA-N 2 2 174.263 1.061 10 0 ADAELP CC(C)[C@@H]([NH3+])C[NH2+]CC1(F)CC1 666741296 487333614 /nfs/dbraw/zinc/33/36/14/487333614.db2.gz LYQAKUOSCBQNFJ-QMMMGPOBSA-N 2 2 174.263 1.061 10 0 ADAELP FC1(C[NH2+]C[C@H]2CCCC[NH2+]2)CC1 666770502 487335927 /nfs/dbraw/zinc/33/59/27/487335927.db2.gz FCSBUHSVULKPEL-SECBINFHSA-N 2 2 186.274 1.220 10 0 ADAELP FC1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CC1 666770503 487336021 /nfs/dbraw/zinc/33/60/21/487336021.db2.gz FCSBUHSVULKPEL-VIFPVBQESA-N 2 2 186.274 1.220 10 0 ADAELP CCC[NH2+]CC[NH2+]CC1(F)CC1 666820815 487340924 /nfs/dbraw/zinc/34/09/24/487340924.db2.gz GGEXAHWMFANQPW-UHFFFAOYSA-N 2 2 174.263 1.078 10 0 ADAELP CC[NH2+][C@H](C)C[NH2+]CC1(F)CC1 666878586 487345045 /nfs/dbraw/zinc/34/50/45/487345045.db2.gz PMILUHIWXANXJX-MRVPVSSYSA-N 2 2 174.263 1.076 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(F)CC1 666887452 487346843 /nfs/dbraw/zinc/34/68/43/487346843.db2.gz NCUPSQDKAVNWBM-IUCAKERBSA-N 2 2 186.274 1.219 10 0 ADAELP Cc1ncccc1C[NH2+][C@@H](C)[C@H](C)[NH3+] 666930255 487348889 /nfs/dbraw/zinc/34/88/89/487348889.db2.gz LPBZRWDUZJMSKP-IUCAKERBSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ncccc1C[NH2+][C@H](C)[C@@H](C)[NH3+] 666930256 487349142 /nfs/dbraw/zinc/34/91/42/487349142.db2.gz LPBZRWDUZJMSKP-RKDXNWHRSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ncccc1C[NH2+][C@H](C)[C@H](C)[NH3+] 666930254 487349402 /nfs/dbraw/zinc/34/94/02/487349402.db2.gz LPBZRWDUZJMSKP-DTWKUNHWSA-N 2 2 193.294 1.215 10 0 ADAELP Cc1ncccc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] 666930253 487349409 /nfs/dbraw/zinc/34/94/09/487349409.db2.gz LPBZRWDUZJMSKP-BDAKNGLRSA-N 2 2 193.294 1.215 10 0 ADAELP C[NH2+]CCC[N@H+](C)CC1(F)CC1 667054933 487354209 /nfs/dbraw/zinc/35/42/09/487354209.db2.gz KLFOOFVQEMRGCJ-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP C[NH2+]CCC[N@@H+](C)CC1(F)CC1 667054933 487354211 /nfs/dbraw/zinc/35/42/11/487354211.db2.gz KLFOOFVQEMRGCJ-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP CC[N@H+](C)Cc1c[nH+]c(C)n1C 667495798 487355896 /nfs/dbraw/zinc/35/58/96/487355896.db2.gz ZSDWERODHPKSTG-UHFFFAOYSA-N 2 2 167.256 1.180 10 0 ADAELP CC[N@@H+](C)Cc1c[nH+]c(C)n1C 667495798 487355899 /nfs/dbraw/zinc/35/58/99/487355899.db2.gz ZSDWERODHPKSTG-UHFFFAOYSA-N 2 2 167.256 1.180 10 0 ADAELP CC[C@@H]1CC[N@H+]1Cc1c[nH+]c(C)n1C 668189939 487361124 /nfs/dbraw/zinc/36/11/24/487361124.db2.gz UXKUUSFDUHSQFY-SNVBAGLBSA-N 2 2 193.294 1.713 10 0 ADAELP Cc1[nH+]cc(C[NH+]2CC(C)C2)n1C 668093103 487359917 /nfs/dbraw/zinc/35/99/17/487359917.db2.gz BRQYPQXWOCDEOY-UHFFFAOYSA-N 2 2 179.267 1.180 10 0 ADAELP Cc1[nH+]cc(C[N@@H+]2[C@@H](C)C[C@H]2C)n1C 668090330 487360011 /nfs/dbraw/zinc/36/00/11/487360011.db2.gz KUWKDTXMQJOUAH-DTORHVGOSA-N 2 2 193.294 1.711 10 0 ADAELP Cc1[nH+]cc(C[N@H+]2[C@@H](C)C[C@H]2C)n1C 668090330 487360016 /nfs/dbraw/zinc/36/00/16/487360016.db2.gz KUWKDTXMQJOUAH-DTORHVGOSA-N 2 2 193.294 1.711 10 0 ADAELP Cc1[nH+]cc(C[NH+]2[C@@H](C)C[C@@H]2C)n1C 668090331 487360035 /nfs/dbraw/zinc/36/00/35/487360035.db2.gz KUWKDTXMQJOUAH-IUCAKERBSA-N 2 2 193.294 1.711 10 0 ADAELP Cc1[nH+]cc(C[NH+]2[C@H](C)C[C@H]2C)n1C 668090332 487360204 /nfs/dbraw/zinc/36/02/04/487360204.db2.gz KUWKDTXMQJOUAH-RKDXNWHRSA-N 2 2 193.294 1.711 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC12CC2 668153687 487360394 /nfs/dbraw/zinc/36/03/94/487360394.db2.gz WDJFCZYDESDYNR-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC12CC2 668153686 487360537 /nfs/dbraw/zinc/36/05/37/487360537.db2.gz WDJFCZYDESDYNR-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@@H+]1Cc1c[nH+]c(C)n1C 668189939 487361121 /nfs/dbraw/zinc/36/11/21/487361121.db2.gz UXKUUSFDUHSQFY-SNVBAGLBSA-N 2 2 193.294 1.713 10 0 ADAELP CC[C@H]1CC[N@@H+]1Cc1c[nH+]c(C)n1C 668189938 487360839 /nfs/dbraw/zinc/36/08/39/487360839.db2.gz UXKUUSFDUHSQFY-JTQLQIEISA-N 2 2 193.294 1.713 10 0 ADAELP CC[C@H]1CC[N@H+]1Cc1c[nH+]c(C)n1C 668189938 487360840 /nfs/dbraw/zinc/36/08/40/487360840.db2.gz UXKUUSFDUHSQFY-JTQLQIEISA-N 2 2 193.294 1.713 10 0 ADAELP C[NH+]1CC(C[N@H+](C)CCC(C)(C)C)C1 668539784 487363636 /nfs/dbraw/zinc/36/36/36/487363636.db2.gz MKWRESNMSFAWKX-UHFFFAOYSA-N 2 2 198.354 1.916 10 0 ADAELP C[NH+]1CC(C[N@@H+](C)CCC(C)(C)C)C1 668539784 487363637 /nfs/dbraw/zinc/36/36/37/487363637.db2.gz MKWRESNMSFAWKX-UHFFFAOYSA-N 2 2 198.354 1.916 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+](C)CC1C[NH+](C)C1 668539808 487363478 /nfs/dbraw/zinc/36/34/78/487363478.db2.gz NBLRGNNBAHZEQQ-ONGXEEELSA-N 2 2 182.311 1.136 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 668539808 487363480 /nfs/dbraw/zinc/36/34/80/487363480.db2.gz NBLRGNNBAHZEQQ-ONGXEEELSA-N 2 2 182.311 1.136 10 0 ADAELP CC(C)C[N@H+](C)CC1C[NH+](C)C1 668539788 487363489 /nfs/dbraw/zinc/36/34/89/487363489.db2.gz MNKLQKVFGUXYHN-UHFFFAOYSA-N 2 2 170.300 1.136 10 0 ADAELP CC(C)C[N@@H+](C)CC1C[NH+](C)C1 668539788 487363490 /nfs/dbraw/zinc/36/34/90/487363490.db2.gz MNKLQKVFGUXYHN-UHFFFAOYSA-N 2 2 170.300 1.136 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 668539805 487363514 /nfs/dbraw/zinc/36/35/14/487363514.db2.gz NBLRGNNBAHZEQQ-GXSJLCMTSA-N 2 2 182.311 1.136 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 668539805 487363516 /nfs/dbraw/zinc/36/35/16/487363516.db2.gz NBLRGNNBAHZEQQ-GXSJLCMTSA-N 2 2 182.311 1.136 10 0 ADAELP C[NH+]1CC(C[N@@H+](C)CC2(C)CCC2)C1 668539591 487363562 /nfs/dbraw/zinc/36/35/62/487363562.db2.gz DONCGVGJOJRIOI-UHFFFAOYSA-N 2 2 196.338 1.670 10 0 ADAELP C[NH+]1CC(C[N@H+](C)CC2(C)CCC2)C1 668539591 487363565 /nfs/dbraw/zinc/36/35/65/487363565.db2.gz DONCGVGJOJRIOI-UHFFFAOYSA-N 2 2 196.338 1.670 10 0 ADAELP CCC[C@H](C)C[N@H+](C)CC1C[NH+](C)C1 668539833 487363590 /nfs/dbraw/zinc/36/35/90/487363590.db2.gz NRLVRQQVVBLKCU-NSHDSACASA-N 2 2 198.354 1.916 10 0 ADAELP CCC[C@H](C)C[N@@H+](C)CC1C[NH+](C)C1 668539833 487363593 /nfs/dbraw/zinc/36/35/93/487363593.db2.gz NRLVRQQVVBLKCU-NSHDSACASA-N 2 2 198.354 1.916 10 0 ADAELP C[NH+]1CC(C[N@@H+](C)CC2(C)CC2)C1 668539262 487363618 /nfs/dbraw/zinc/36/36/18/487363618.db2.gz QUQAOPOGWOMUDT-UHFFFAOYSA-N 2 2 182.311 1.280 10 0 ADAELP C[NH+]1CC(C[N@H+](C)CC2(C)CC2)C1 668539262 487363619 /nfs/dbraw/zinc/36/36/19/487363619.db2.gz QUQAOPOGWOMUDT-UHFFFAOYSA-N 2 2 182.311 1.280 10 0 ADAELP CCC[C@@H](C)C[N@H+](C)CC1C[NH+](C)C1 668539832 487363669 /nfs/dbraw/zinc/36/36/69/487363669.db2.gz NRLVRQQVVBLKCU-LLVKDONJSA-N 2 2 198.354 1.916 10 0 ADAELP CCC[C@@H](C)C[N@@H+](C)CC1C[NH+](C)C1 668539832 487363672 /nfs/dbraw/zinc/36/36/72/487363672.db2.gz NRLVRQQVVBLKCU-LLVKDONJSA-N 2 2 198.354 1.916 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 668539807 487363689 /nfs/dbraw/zinc/36/36/89/487363689.db2.gz NBLRGNNBAHZEQQ-MWLCHTKSSA-N 2 2 182.311 1.136 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 668539807 487363692 /nfs/dbraw/zinc/36/36/92/487363692.db2.gz NBLRGNNBAHZEQQ-MWLCHTKSSA-N 2 2 182.311 1.136 10 0 ADAELP CC[C@H](C)C[N@H+](C)CC1C[NH+](C)C1 668539764 487363821 /nfs/dbraw/zinc/36/38/21/487363821.db2.gz LDDOSOYSBWFSJY-JTQLQIEISA-N 2 2 184.327 1.526 10 0 ADAELP CC[C@H](C)C[N@@H+](C)CC1C[NH+](C)C1 668539764 487363824 /nfs/dbraw/zinc/36/38/24/487363824.db2.gz LDDOSOYSBWFSJY-JTQLQIEISA-N 2 2 184.327 1.526 10 0 ADAELP CC(C)CCC[N@H+](C)CC1C[NH+](C)C1 668539702 487363834 /nfs/dbraw/zinc/36/38/34/487363834.db2.gz JAAJVHRBGHZZNU-UHFFFAOYSA-N 2 2 198.354 1.916 10 0 ADAELP CC(C)CCC[N@@H+](C)CC1C[NH+](C)C1 668539702 487363837 /nfs/dbraw/zinc/36/38/37/487363837.db2.gz JAAJVHRBGHZZNU-UHFFFAOYSA-N 2 2 198.354 1.916 10 0 ADAELP C[NH+]1CC(C[N@@H+](C)Cc2ccco2)C1 668537284 487363903 /nfs/dbraw/zinc/36/39/03/487363903.db2.gz DNKZDNIVIOORJR-UHFFFAOYSA-N 2 2 194.278 1.273 10 0 ADAELP C[NH+]1CC(C[N@H+](C)Cc2ccco2)C1 668537284 487363906 /nfs/dbraw/zinc/36/39/06/487363906.db2.gz DNKZDNIVIOORJR-UHFFFAOYSA-N 2 2 194.278 1.273 10 0 ADAELP CC[C@@H](C)C[N@H+](C)CC1C[NH+](C)C1 668539765 487363942 /nfs/dbraw/zinc/36/39/42/487363942.db2.gz LDDOSOYSBWFSJY-SNVBAGLBSA-N 2 2 184.327 1.526 10 0 ADAELP CC[C@@H](C)C[N@@H+](C)CC1C[NH+](C)C1 668539765 487363945 /nfs/dbraw/zinc/36/39/45/487363945.db2.gz LDDOSOYSBWFSJY-SNVBAGLBSA-N 2 2 184.327 1.526 10 0 ADAELP CCC(CC)C[N@H+](C)CC1C[NH+](C)C1 668539773 487363982 /nfs/dbraw/zinc/36/39/82/487363982.db2.gz LQMORHJIVHWPPY-UHFFFAOYSA-N 2 2 198.354 1.916 10 0 ADAELP CCC(CC)C[N@@H+](C)CC1C[NH+](C)C1 668539773 487363985 /nfs/dbraw/zinc/36/39/85/487363985.db2.gz LQMORHJIVHWPPY-UHFFFAOYSA-N 2 2 198.354 1.916 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+](C)CC1C[NH+](C)C1 668539806 487364016 /nfs/dbraw/zinc/36/40/16/487364016.db2.gz NBLRGNNBAHZEQQ-KOLCDFICSA-N 2 2 182.311 1.136 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 668539806 487364017 /nfs/dbraw/zinc/36/40/17/487364017.db2.gz NBLRGNNBAHZEQQ-KOLCDFICSA-N 2 2 182.311 1.136 10 0 ADAELP C[C@H]1C[NH2+]CC[C@@H]1Cc1c[nH]c[nH+]1 757137142 582459842 /nfs/dbraw/zinc/45/98/42/582459842.db2.gz XOJYBUMIXLXVKO-DTWKUNHWSA-N 2 2 179.267 1.198 10 0 ADAELP C[C@H]1C[NH2+]CC[C@@H]1Cc1c[nH+]c[nH]1 757137142 582459845 /nfs/dbraw/zinc/45/98/45/582459845.db2.gz XOJYBUMIXLXVKO-DTWKUNHWSA-N 2 2 179.267 1.198 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@H]1Cc1c[nH]c[nH+]1 757137141 582460032 /nfs/dbraw/zinc/46/00/32/582460032.db2.gz XOJYBUMIXLXVKO-BDAKNGLRSA-N 2 2 179.267 1.198 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@H]1Cc1c[nH+]c[nH]1 757137141 582460033 /nfs/dbraw/zinc/46/00/33/582460033.db2.gz XOJYBUMIXLXVKO-BDAKNGLRSA-N 2 2 179.267 1.198 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@@H]1Cc1c[nH]c[nH+]1 757137144 582460253 /nfs/dbraw/zinc/46/02/53/582460253.db2.gz XOJYBUMIXLXVKO-RKDXNWHRSA-N 2 2 179.267 1.198 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@@H]1Cc1c[nH+]c[nH]1 757137144 582460255 /nfs/dbraw/zinc/46/02/55/582460255.db2.gz XOJYBUMIXLXVKO-RKDXNWHRSA-N 2 2 179.267 1.198 10 0 ADAELP C[C@H]1C[NH2+]CC[C@H]1Cc1c[nH]c[nH+]1 757137143 582460260 /nfs/dbraw/zinc/46/02/60/582460260.db2.gz XOJYBUMIXLXVKO-IUCAKERBSA-N 2 2 179.267 1.198 10 0 ADAELP C[C@H]1C[NH2+]CC[C@H]1Cc1c[nH+]c[nH]1 757137143 582460261 /nfs/dbraw/zinc/46/02/61/582460261.db2.gz XOJYBUMIXLXVKO-IUCAKERBSA-N 2 2 179.267 1.198 10 0 ADAELP C=C/C=C/CC[N@H+]1CC[C@@H]1C[NH3+] 757141412 582461969 /nfs/dbraw/zinc/46/19/69/582461969.db2.gz CZFWKCRWXHSZIP-HMDXOVGESA-N 2 2 166.268 1.152 10 0 ADAELP C=C/C=C/CC[N@@H+]1CC[C@@H]1C[NH3+] 757141412 582461971 /nfs/dbraw/zinc/46/19/71/582461971.db2.gz CZFWKCRWXHSZIP-HMDXOVGESA-N 2 2 166.268 1.152 10 0 ADAELP CC1(C)C[C@@H]1CCC[N@@H+]1CC[C@@H]1C[NH3+] 757146426 582465079 /nfs/dbraw/zinc/46/50/79/582465079.db2.gz NOOJSSQPKVWMOZ-WDEREUQCSA-N 2 2 196.338 1.846 10 0 ADAELP CC1(C)C[C@@H]1CCC[N@H+]1CC[C@@H]1C[NH3+] 757146426 582465082 /nfs/dbraw/zinc/46/50/82/582465082.db2.gz NOOJSSQPKVWMOZ-WDEREUQCSA-N 2 2 196.338 1.846 10 0 ADAELP C=C/C=C/CC[N@H+]1CC[C@H]1C[NH3+] 757141411 582462101 /nfs/dbraw/zinc/46/21/01/582462101.db2.gz CZFWKCRWXHSZIP-FSIBCCDJSA-N 2 2 166.268 1.152 10 0 ADAELP C=C/C=C/CC[N@@H+]1CC[C@H]1C[NH3+] 757141411 582462102 /nfs/dbraw/zinc/46/21/02/582462102.db2.gz CZFWKCRWXHSZIP-FSIBCCDJSA-N 2 2 166.268 1.152 10 0 ADAELP Cc1cc(C)[nH+]c(N2CC[C@H]2C[NH3+])c1 757142101 582462782 /nfs/dbraw/zinc/46/27/82/582462782.db2.gz GSALXWKXOQSWSR-JTQLQIEISA-N 2 2 191.278 1.236 10 0 ADAELP c1[nH]c([C@H]2C[C@@H]3CC[NH2+]C[C@H]23)c[nH+]1 757142865 582463076 /nfs/dbraw/zinc/46/30/76/582463076.db2.gz UMELNZPQIHUAGY-CIUDSAMLSA-N 2 2 177.251 1.123 10 0 ADAELP c1[nH]cc([C@H]2C[C@@H]3CC[NH2+]C[C@H]23)[nH+]1 757142865 582463077 /nfs/dbraw/zinc/46/30/77/582463077.db2.gz UMELNZPQIHUAGY-CIUDSAMLSA-N 2 2 177.251 1.123 10 0 ADAELP Cc1cc(C)[nH+]c(N2CC[C@@H]2C[NH3+])c1 757142124 582463370 /nfs/dbraw/zinc/46/33/70/582463370.db2.gz GSALXWKXOQSWSR-SNVBAGLBSA-N 2 2 191.278 1.236 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1CCCC(F)F 757145177 582464342 /nfs/dbraw/zinc/46/43/42/582464342.db2.gz KUISMMAMHDZVQA-SSDOTTSWSA-N 2 2 178.226 1.065 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1CCCC(F)F 757145177 582464344 /nfs/dbraw/zinc/46/43/44/582464344.db2.gz KUISMMAMHDZVQA-SSDOTTSWSA-N 2 2 178.226 1.065 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1CCCC(F)F 757145183 582464635 /nfs/dbraw/zinc/46/46/35/582464635.db2.gz KUISMMAMHDZVQA-ZETCQYMHSA-N 2 2 178.226 1.065 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1CCCC(F)F 757145183 582464637 /nfs/dbraw/zinc/46/46/37/582464637.db2.gz KUISMMAMHDZVQA-ZETCQYMHSA-N 2 2 178.226 1.065 10 0 ADAELP CC1(CCC[N@@H+]2CC[C@@H]2C[NH3+])CC1 757146462 582465138 /nfs/dbraw/zinc/46/51/38/582465138.db2.gz NRXGLYXIRONCPP-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP CC1(CCC[N@H+]2CC[C@@H]2C[NH3+])CC1 757146462 582465139 /nfs/dbraw/zinc/46/51/39/582465139.db2.gz NRXGLYXIRONCPP-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP CC[C@@]1(C)CCO[C@@]2(CCC[NH2+]C2)[NH2+]1 757146874 582465188 /nfs/dbraw/zinc/46/51/88/582465188.db2.gz LLQBJYFIIYPDHK-WDEREUQCSA-N 2 2 198.310 1.245 10 0 ADAELP CC1(C)C[C@@H]1CCC[N@@H+]1CC[C@H]1C[NH3+] 757146425 582465435 /nfs/dbraw/zinc/46/54/35/582465435.db2.gz NOOJSSQPKVWMOZ-QWRGUYRKSA-N 2 2 196.338 1.846 10 0 ADAELP CC1(C)C[C@@H]1CCC[N@H+]1CC[C@H]1C[NH3+] 757146425 582465437 /nfs/dbraw/zinc/46/54/37/582465437.db2.gz NOOJSSQPKVWMOZ-QWRGUYRKSA-N 2 2 196.338 1.846 10 0 ADAELP CC1(CCC[N@@H+]2CC[C@H]2C[NH3+])CC1 757146458 582465547 /nfs/dbraw/zinc/46/55/47/582465547.db2.gz NRXGLYXIRONCPP-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP CC1(CCC[N@H+]2CC[C@H]2C[NH3+])CC1 757146458 582465549 /nfs/dbraw/zinc/46/55/49/582465549.db2.gz NRXGLYXIRONCPP-JTQLQIEISA-N 2 2 182.311 1.600 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1CCCCCC1CC1 757151925 582466591 /nfs/dbraw/zinc/46/65/91/582466591.db2.gz XUUSGKWMRKIXDN-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1CCCCCC1CC1 757151925 582466593 /nfs/dbraw/zinc/46/65/93/582466593.db2.gz XUUSGKWMRKIXDN-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP CC(C)(C[N@@H+]1CC[C@H]1C[NH3+])C(F)F 757152007 582466599 /nfs/dbraw/zinc/46/65/99/582466599.db2.gz YEVMHIOIFGPVKD-ZETCQYMHSA-N 2 2 192.253 1.311 10 0 ADAELP CC(C)(C[N@H+]1CC[C@H]1C[NH3+])C(F)F 757152007 582466600 /nfs/dbraw/zinc/46/66/00/582466600.db2.gz YEVMHIOIFGPVKD-ZETCQYMHSA-N 2 2 192.253 1.311 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1CCCCCC1CC1 757151926 582466769 /nfs/dbraw/zinc/46/67/69/582466769.db2.gz XUUSGKWMRKIXDN-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1CCCCCC1CC1 757151926 582466770 /nfs/dbraw/zinc/46/67/70/582466770.db2.gz XUUSGKWMRKIXDN-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP CC(C)(C[N@@H+]1CC[C@@H]1C[NH3+])C(F)F 757152005 582466905 /nfs/dbraw/zinc/46/69/05/582466905.db2.gz YEVMHIOIFGPVKD-SSDOTTSWSA-N 2 2 192.253 1.311 10 0 ADAELP CC(C)(C[N@H+]1CC[C@@H]1C[NH3+])C(F)F 757152005 582466906 /nfs/dbraw/zinc/46/69/06/582466906.db2.gz YEVMHIOIFGPVKD-SSDOTTSWSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@@H]1C[NH2+][C@H](c2cccs2)[C@H]([NH3+])C1 757218512 582472905 /nfs/dbraw/zinc/47/29/05/582472905.db2.gz VKGGGPMDXIPKCA-XKSSXDPKSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[NH2+][C@H](c2cccs2)[C@@H]([NH3+])C1 757218509 582472968 /nfs/dbraw/zinc/47/29/68/582472968.db2.gz VKGGGPMDXIPKCA-NRPADANISA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2ccsc2)[NH2+]1 757218566 582472978 /nfs/dbraw/zinc/47/29/78/582472978.db2.gz WKUZMEWCYFBBBI-JEZHCXPESA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2ccsc2)[NH2+]1 757218567 582472990 /nfs/dbraw/zinc/47/29/90/582472990.db2.gz WKUZMEWCYFBBBI-QNSHHTMESA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2ccsc2)[NH2+]1 757218565 582473011 /nfs/dbraw/zinc/47/30/11/582473011.db2.gz WKUZMEWCYFBBBI-FKTZTGRPSA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2ccsc2)[NH2+]1 757218568 582473039 /nfs/dbraw/zinc/47/30/39/582473039.db2.gz WKUZMEWCYFBBBI-SZEHBUNVSA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](c2cccs2)[C@H]([NH3+])C1 757218511 582473042 /nfs/dbraw/zinc/47/30/42/582473042.db2.gz VKGGGPMDXIPKCA-QXFUBDJGSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](c2cccs2)[C@@H]([NH3+])C1 757218510 582473084 /nfs/dbraw/zinc/47/30/84/582473084.db2.gz VKGGGPMDXIPKCA-OYNCUSHFSA-N 2 2 196.319 1.746 10 0 ADAELP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 306542628 582487418 /nfs/dbraw/zinc/48/74/18/582487418.db2.gz VCPWOXIRPGJEKO-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 306542628 582487420 /nfs/dbraw/zinc/48/74/20/582487420.db2.gz VCPWOXIRPGJEKO-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 306542627 582487478 /nfs/dbraw/zinc/48/74/78/582487478.db2.gz VCPWOXIRPGJEKO-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 306542627 582487480 /nfs/dbraw/zinc/48/74/80/582487480.db2.gz VCPWOXIRPGJEKO-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 306542630 582487549 /nfs/dbraw/zinc/48/75/49/582487549.db2.gz VCPWOXIRPGJEKO-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 306542630 582487550 /nfs/dbraw/zinc/48/75/50/582487550.db2.gz VCPWOXIRPGJEKO-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 306542629 582487736 /nfs/dbraw/zinc/48/77/36/582487736.db2.gz VCPWOXIRPGJEKO-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 306542629 582487739 /nfs/dbraw/zinc/48/77/39/582487739.db2.gz VCPWOXIRPGJEKO-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1[nH+]cccc1Cn1cc[nH+]c1N 702499949 582495287 /nfs/dbraw/zinc/49/52/87/582495287.db2.gz YCUPQFHSPHLGRL-UHFFFAOYSA-N 2 2 188.234 1.217 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CCC[NH2+][C@H]1C 396623145 582501104 /nfs/dbraw/zinc/50/11/04/582501104.db2.gz DXVROSNNQILFSD-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CCC[NH2+][C@H]1C 396623145 582501105 /nfs/dbraw/zinc/50/11/05/582501105.db2.gz DXVROSNNQILFSD-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](CC)[C@@H]1CCC[NH2+][C@@H]1C 396623142 582501207 /nfs/dbraw/zinc/50/12/07/582501207.db2.gz DXVROSNNQILFSD-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC)[C@@H]1CCC[NH2+][C@@H]1C 396623142 582501210 /nfs/dbraw/zinc/50/12/10/582501210.db2.gz DXVROSNNQILFSD-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](CC)[C@H]1CCC[NH2+][C@H]1C 396623144 582501440 /nfs/dbraw/zinc/50/14/40/582501440.db2.gz DXVROSNNQILFSD-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CCC[NH2+][C@H]1C 396623144 582501442 /nfs/dbraw/zinc/50/14/42/582501442.db2.gz DXVROSNNQILFSD-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](CC)[C@H]1CCC[NH2+][C@@H]1C 396623143 582501478 /nfs/dbraw/zinc/50/14/78/582501478.db2.gz DXVROSNNQILFSD-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+](CC)[C@H]1CCC[NH2+][C@@H]1C 396623143 582501479 /nfs/dbraw/zinc/50/14/79/582501479.db2.gz DXVROSNNQILFSD-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C 393971536 582507597 /nfs/dbraw/zinc/50/75/97/582507597.db2.gz QQFATLWBCZUBLB-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 393971536 582507600 /nfs/dbraw/zinc/50/76/00/582507600.db2.gz QQFATLWBCZUBLB-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 393971534 582507621 /nfs/dbraw/zinc/50/76/21/582507621.db2.gz QQFATLWBCZUBLB-IRCOFANPSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 393971534 582507623 /nfs/dbraw/zinc/50/76/23/582507623.db2.gz QQFATLWBCZUBLB-IRCOFANPSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 393971537 582507701 /nfs/dbraw/zinc/50/77/01/582507701.db2.gz QQFATLWBCZUBLB-QCNOEVLYSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 393971537 582507704 /nfs/dbraw/zinc/50/77/04/582507704.db2.gz QQFATLWBCZUBLB-QCNOEVLYSA-N 2 2 196.338 1.715 10 0 ADAELP Cc1cc[nH+]c(N)c1C[NH+]1CC(C)C1 894608651 582516639 /nfs/dbraw/zinc/51/66/39/582516639.db2.gz KHPZNUXTFZKOKE-UHFFFAOYSA-N 2 2 191.278 1.424 10 0 ADAELP Cc1cc[nH+]c(N)c1C[NH2+]CCF 894650322 582517049 /nfs/dbraw/zinc/51/70/49/582517049.db2.gz TVKSPOXIORHPSB-UHFFFAOYSA-N 2 2 183.230 1.031 10 0 ADAELP Cc1cc[nH+]c(N)c1C[NH2+][C@@H](C)CF 894855861 582518940 /nfs/dbraw/zinc/51/89/40/582518940.db2.gz URDKSZCKVNHSAY-QMMMGPOBSA-N 2 2 197.257 1.420 10 0 ADAELP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)[C@@H]2C)n1C 894861347 582519977 /nfs/dbraw/zinc/51/99/77/582519977.db2.gz FVAOSJMZQQNMGY-BDAKNGLRSA-N 2 2 193.294 1.569 10 0 ADAELP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@@H]2C)n1C 894861349 582519546 /nfs/dbraw/zinc/51/95/46/582519546.db2.gz FVAOSJMZQQNMGY-IUCAKERBSA-N 2 2 193.294 1.569 10 0 ADAELP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@@H]2C)n1C 894861349 582519549 /nfs/dbraw/zinc/51/95/49/582519549.db2.gz FVAOSJMZQQNMGY-IUCAKERBSA-N 2 2 193.294 1.569 10 0 ADAELP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)[C@H]2C)n1C 894861350 582519884 /nfs/dbraw/zinc/51/98/84/582519884.db2.gz FVAOSJMZQQNMGY-RKDXNWHRSA-N 2 2 193.294 1.569 10 0 ADAELP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)[C@H]2C)n1C 894861350 582519885 /nfs/dbraw/zinc/51/98/85/582519885.db2.gz FVAOSJMZQQNMGY-RKDXNWHRSA-N 2 2 193.294 1.569 10 0 ADAELP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)n1C 894861347 582519978 /nfs/dbraw/zinc/51/99/78/582519978.db2.gz FVAOSJMZQQNMGY-BDAKNGLRSA-N 2 2 193.294 1.569 10 0 ADAELP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@H]2C)n1C 894861348 582519995 /nfs/dbraw/zinc/51/99/95/582519995.db2.gz FVAOSJMZQQNMGY-DTWKUNHWSA-N 2 2 193.294 1.569 10 0 ADAELP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@H]2C)n1C 894861348 582519996 /nfs/dbraw/zinc/51/99/96/582519996.db2.gz FVAOSJMZQQNMGY-DTWKUNHWSA-N 2 2 193.294 1.569 10 0 ADAELP c1[nH]c(C[NH2+][C@H]2[C@H]3CCC[C@H]32)c[nH+]1 895311578 582526499 /nfs/dbraw/zinc/52/64/99/582526499.db2.gz BOTRBTCBPHEEBU-ILWJIGKKSA-N 2 2 177.251 1.298 10 0 ADAELP CC(C)(F)C[NH2+]Cc1c[nH+]c[nH]1 895415057 582528150 /nfs/dbraw/zinc/52/81/50/582528150.db2.gz JRBWCTRPQDUTFA-UHFFFAOYSA-N 2 2 171.219 1.247 10 0 ADAELP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 895441061 582528602 /nfs/dbraw/zinc/52/86/02/582528602.db2.gz XUNRJBVLTHBVAY-ZJUUUORDSA-N 2 2 197.257 1.780 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C 393676144 582544545 /nfs/dbraw/zinc/54/45/45/582544545.db2.gz CODQRDOLGVFZLT-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 393676145 582545064 /nfs/dbraw/zinc/54/50/64/582545064.db2.gz CODQRDOLGVFZLT-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP Cc1cccc(NCC2([NH3+])CC2)[nH+]1 900409143 582572991 /nfs/dbraw/zinc/57/29/91/582572991.db2.gz LZMVKPRYODHITN-UHFFFAOYSA-N 2 2 177.251 1.293 10 0 ADAELP [NH3+]C[C@H]1C[C@H](Nc2cccc[nH+]2)C1 900431588 582573071 /nfs/dbraw/zinc/57/30/71/582573071.db2.gz HEMFSUDFKIRXDJ-KYZUINATSA-N 2 2 177.251 1.231 10 0 ADAELP Cc1cc[nH+]c(NCC2([NH3+])CC2)c1 900409854 582573117 /nfs/dbraw/zinc/57/31/17/582573117.db2.gz ZGSBXWJNEZENRP-UHFFFAOYSA-N 2 2 177.251 1.293 10 0 ADAELP CC(C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] 902435294 582604937 /nfs/dbraw/zinc/60/49/37/582604937.db2.gz BBBSCQHPCJNTEK-VXGBXAGGSA-N 2 2 190.290 1.609 10 0 ADAELP C[NH+](C)CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 902989427 582619122 /nfs/dbraw/zinc/61/91/22/582619122.db2.gz CZUKKWBOPJDYDQ-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1 902989428 582619152 /nfs/dbraw/zinc/61/91/52/582619152.db2.gz CZUKKWBOPJDYDQ-ZSBIGDGJSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH+](C)CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 902989426 582619258 /nfs/dbraw/zinc/61/92/58/582619258.db2.gz CZUKKWBOPJDYDQ-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]1C 903301957 582622579 /nfs/dbraw/zinc/62/25/79/582622579.db2.gz VDXCPGXFOSBVBF-QCNOEVLYSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C 903301957 582622583 /nfs/dbraw/zinc/62/25/83/582622583.db2.gz VDXCPGXFOSBVBF-QCNOEVLYSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H]1C 903301958 582622658 /nfs/dbraw/zinc/62/26/58/582622658.db2.gz VDXCPGXFOSBVBF-USZNOCQGSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H]1C 903301958 582622660 /nfs/dbraw/zinc/62/26/60/582622660.db2.gz VDXCPGXFOSBVBF-USZNOCQGSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C 903301956 582622834 /nfs/dbraw/zinc/62/28/34/582622834.db2.gz VDXCPGXFOSBVBF-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C 903301956 582622835 /nfs/dbraw/zinc/62/28/35/582622835.db2.gz VDXCPGXFOSBVBF-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H]1C 903301959 582623088 /nfs/dbraw/zinc/62/30/88/582623088.db2.gz VDXCPGXFOSBVBF-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C 903301959 582623091 /nfs/dbraw/zinc/62/30/91/582623091.db2.gz VDXCPGXFOSBVBF-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP FCC[NH2+][C@H]1CC[NH2+]C12CCCC2 903484469 582625206 /nfs/dbraw/zinc/62/52/06/582625206.db2.gz RXFYDGZRBCZGNS-VIFPVBQESA-N 2 2 186.274 1.220 10 0 ADAELP FCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 903484468 582625665 /nfs/dbraw/zinc/62/56/65/582625665.db2.gz RXFYDGZRBCZGNS-SECBINFHSA-N 2 2 186.274 1.220 10 0 ADAELP CC[C@@H](C)C[NH2+]Cc1cc(N)cc[nH+]1 903953117 582629378 /nfs/dbraw/zinc/62/93/78/582629378.db2.gz AFKVMPZJJOUONX-SECBINFHSA-N 2 2 193.294 1.800 10 0 ADAELP Nc1cc[nH+]c(C[NH2+]C2CCCC2)c1 903950013 582629427 /nfs/dbraw/zinc/62/94/27/582629427.db2.gz HEOSAVSFELRVPM-UHFFFAOYSA-N 2 2 191.278 1.696 10 0 ADAELP CCC[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 903950618 582629491 /nfs/dbraw/zinc/62/94/91/582629491.db2.gz OSOWFUNXXNOTIK-VIFPVBQESA-N 2 2 193.294 1.942 10 0 ADAELP Cc1cc(N[C@@H]2CC[NH2+]C2)c[nH+]c1C 903947533 582629497 /nfs/dbraw/zinc/62/94/97/582629497.db2.gz ACAHUZFLMDODIY-SNVBAGLBSA-N 2 2 191.278 1.472 10 0 ADAELP CC(C)(C)C[NH2+]Cc1cc(N)cc[nH+]1 903951357 582629654 /nfs/dbraw/zinc/62/96/54/582629654.db2.gz WSVNBVLPJGRMQC-UHFFFAOYSA-N 2 2 193.294 1.800 10 0 ADAELP Nc1cc[nH+]c(C[NH2+]CC2(F)CC2)c1 903953127 582629706 /nfs/dbraw/zinc/62/97/06/582629706.db2.gz ALLNRGJDOCDMJI-UHFFFAOYSA-N 2 2 195.241 1.256 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccs1 903960488 582629726 /nfs/dbraw/zinc/62/97/26/582629726.db2.gz MINJCRRUKIIENQ-PSASIEDQSA-N 2 2 196.319 1.446 10 0 ADAELP CC1(C[NH2+]Cc2cc(N)cc[nH+]2)CC1 903953309 582629836 /nfs/dbraw/zinc/62/98/36/582629836.db2.gz CPBZWBYTTNGIPG-UHFFFAOYSA-N 2 2 191.278 1.554 10 0 ADAELP C[C@@H]1C[C@H]1C[NH2+]Cc1cc(N)cc[nH+]1 903954973 582629856 /nfs/dbraw/zinc/62/98/56/582629856.db2.gz XEYZNKKXAAELQB-BDAKNGLRSA-N 2 2 191.278 1.409 10 0 ADAELP C[C@H]1C[C@@H]1C[NH2+]Cc1cc(N)cc[nH+]1 903954974 582630107 /nfs/dbraw/zinc/63/01/07/582630107.db2.gz XEYZNKKXAAELQB-DTWKUNHWSA-N 2 2 191.278 1.409 10 0 ADAELP Nc1cc[nH+]c(C[NH2+]CC2CC2)c1 903950280 582630117 /nfs/dbraw/zinc/63/01/17/582630117.db2.gz LKVUQPHXBYZBJE-UHFFFAOYSA-N 2 2 177.251 1.163 10 0 ADAELP C[C@H]1C[C@H]1C[NH2+]Cc1cc(N)cc[nH+]1 903954975 582630126 /nfs/dbraw/zinc/63/01/26/582630126.db2.gz XEYZNKKXAAELQB-IUCAKERBSA-N 2 2 191.278 1.409 10 0 ADAELP Cc1cc(N[C@H]2CC[NH2+]C2)c[nH+]c1C 903947532 582630151 /nfs/dbraw/zinc/63/01/51/582630151.db2.gz ACAHUZFLMDODIY-JTQLQIEISA-N 2 2 191.278 1.472 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(N)cc[nH+]1 903954976 582630156 /nfs/dbraw/zinc/63/01/56/582630156.db2.gz XEYZNKKXAAELQB-RKDXNWHRSA-N 2 2 191.278 1.409 10 0 ADAELP Cc1cc(NCC(C)(C)[NH3+])c[nH+]c1C 903948950 582630169 /nfs/dbraw/zinc/63/01/69/582630169.db2.gz WHQNXOANQPKOPN-UHFFFAOYSA-N 2 2 193.294 1.848 10 0 ADAELP CCC[C@@H](C)[NH2+]Cc1cc(N)cc[nH+]1 903950617 582630195 /nfs/dbraw/zinc/63/01/95/582630195.db2.gz OSOWFUNXXNOTIK-SECBINFHSA-N 2 2 193.294 1.942 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccccc1 903960594 582630281 /nfs/dbraw/zinc/63/02/81/582630281.db2.gz QKJMALWZRSKJLU-ZYHUDNBSSA-N 2 2 190.290 1.384 10 0 ADAELP CC[C@H](C)C[NH2+]Cc1cc(N)cc[nH+]1 903953118 582630307 /nfs/dbraw/zinc/63/03/07/582630307.db2.gz AFKVMPZJJOUONX-VIFPVBQESA-N 2 2 193.294 1.800 10 0 ADAELP CC1(C)C[N@H+](CC2(F)CC2)C[C@H]1[NH3+] 903986746 582630709 /nfs/dbraw/zinc/63/07/09/582630709.db2.gz QVOVSJBBUDLEFR-MRVPVSSYSA-N 2 2 186.274 1.158 10 0 ADAELP CC1(C)C[N@@H+](CC2(F)CC2)C[C@H]1[NH3+] 903986746 582630711 /nfs/dbraw/zinc/63/07/11/582630711.db2.gz QVOVSJBBUDLEFR-MRVPVSSYSA-N 2 2 186.274 1.158 10 0 ADAELP CC1(C)C[N@H+](CC2(F)CC2)C[C@@H]1[NH3+] 903986747 582630815 /nfs/dbraw/zinc/63/08/15/582630815.db2.gz QVOVSJBBUDLEFR-QMMMGPOBSA-N 2 2 186.274 1.158 10 0 ADAELP CC1(C)C[N@@H+](CC2(F)CC2)C[C@@H]1[NH3+] 903986747 582630816 /nfs/dbraw/zinc/63/08/16/582630816.db2.gz QVOVSJBBUDLEFR-QMMMGPOBSA-N 2 2 186.274 1.158 10 0 ADAELP CC1(C)C[NH2+]C[C@@H]1[NH2+]CC1(F)CC1 904460626 582639173 /nfs/dbraw/zinc/63/91/73/582639173.db2.gz AYGIUXWMYVCQGH-QMMMGPOBSA-N 2 2 186.274 1.076 10 0 ADAELP CC1(C)C[NH2+]C[C@H]1[NH2+]CC1(F)CC1 904460614 582639535 /nfs/dbraw/zinc/63/95/35/582639535.db2.gz AYGIUXWMYVCQGH-MRVPVSSYSA-N 2 2 186.274 1.076 10 0 ADAELP C1=C(c2ccc3[nH+]ccn3c2)C[NH2+]CC1 905297066 582646213 /nfs/dbraw/zinc/64/62/13/582646213.db2.gz YSLYKCLBIDMYNA-UHFFFAOYSA-N 2 2 199.257 1.711 10 0 ADAELP Cc1sccc1C1=C[C@@H]([NH3+])C[NH2+]C1 675078552 582665079 /nfs/dbraw/zinc/66/50/79/582665079.db2.gz QRYLZRYZLAUBFC-SECBINFHSA-N 2 2 194.303 1.370 10 0 ADAELP Cc1sccc1C1=C[C@H]([NH3+])C[NH2+]C1 675078555 582664979 /nfs/dbraw/zinc/66/49/79/582664979.db2.gz QRYLZRYZLAUBFC-VIFPVBQESA-N 2 2 194.303 1.370 10 0 ADAELP CC(C)C[C@H](C)[NH2+]CC[NH+](C)C 22141912 582705471 /nfs/dbraw/zinc/70/54/71/582705471.db2.gz BFYZPLQFMFXSOK-JTQLQIEISA-N 2 2 172.316 1.572 10 0 ADAELP CC(C)C[C@@H](C)[NH2+]CC[NH+](C)C 22141909 582705480 /nfs/dbraw/zinc/70/54/80/582705480.db2.gz BFYZPLQFMFXSOK-SNVBAGLBSA-N 2 2 172.316 1.572 10 0 ADAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2C[C@@H]21 838904217 582721686 /nfs/dbraw/zinc/72/16/86/582721686.db2.gz JOYWGTNKWLOQND-KOLCDFICSA-N 2 2 191.278 1.057 10 0 ADAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2C[C@@H]21 838904217 582721688 /nfs/dbraw/zinc/72/16/88/582721688.db2.gz JOYWGTNKWLOQND-KOLCDFICSA-N 2 2 191.278 1.057 10 0 ADAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2C[C@H]21 838904216 582722254 /nfs/dbraw/zinc/72/22/54/582722254.db2.gz JOYWGTNKWLOQND-GXSJLCMTSA-N 2 2 191.278 1.057 10 0 ADAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2C[C@H]21 838904216 582722257 /nfs/dbraw/zinc/72/22/57/582722257.db2.gz JOYWGTNKWLOQND-GXSJLCMTSA-N 2 2 191.278 1.057 10 0 ADAELP FCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 759336838 582801779 /nfs/dbraw/zinc/80/17/79/582801779.db2.gz DPXBINIQDVUOOP-SNVBAGLBSA-N 2 2 197.257 1.490 10 0 ADAELP FCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 759336838 582801781 /nfs/dbraw/zinc/80/17/81/582801781.db2.gz DPXBINIQDVUOOP-SNVBAGLBSA-N 2 2 197.257 1.490 10 0 ADAELP FCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 759336837 582802458 /nfs/dbraw/zinc/80/24/58/582802458.db2.gz DPXBINIQDVUOOP-JTQLQIEISA-N 2 2 197.257 1.490 10 0 ADAELP FCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 759336837 582802459 /nfs/dbraw/zinc/80/24/59/582802459.db2.gz DPXBINIQDVUOOP-JTQLQIEISA-N 2 2 197.257 1.490 10 0 ADAELP FCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 759347689 582803419 /nfs/dbraw/zinc/80/34/19/582803419.db2.gz YEMOJSIFKZOJAD-UHFFFAOYSA-N 2 2 197.257 1.559 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2C[C@@H]21 766247823 582827402 /nfs/dbraw/zinc/82/74/02/582827402.db2.gz MXTWJPZPQLOADD-MNOVXSKESA-N 2 2 191.278 1.286 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2C[C@@H]21 766247823 582827404 /nfs/dbraw/zinc/82/74/04/582827404.db2.gz MXTWJPZPQLOADD-MNOVXSKESA-N 2 2 191.278 1.286 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2C[C@H]21 766247833 582827995 /nfs/dbraw/zinc/82/79/95/582827995.db2.gz MXTWJPZPQLOADD-WDEREUQCSA-N 2 2 191.278 1.286 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2C[C@H]21 766247833 582827997 /nfs/dbraw/zinc/82/79/97/582827997.db2.gz MXTWJPZPQLOADD-WDEREUQCSA-N 2 2 191.278 1.286 10 0 ADAELP c1cn(CCC[N@@H+]2CC[C@@H]3C[C@@H]32)c[nH+]1 776002751 582864477 /nfs/dbraw/zinc/86/44/77/582864477.db2.gz UJIADVGXHQXRJR-MNOVXSKESA-N 2 2 191.278 1.367 10 0 ADAELP c1cn(CCC[N@H+]2CC[C@@H]3C[C@@H]32)c[nH+]1 776002751 582864480 /nfs/dbraw/zinc/86/44/80/582864480.db2.gz UJIADVGXHQXRJR-MNOVXSKESA-N 2 2 191.278 1.367 10 0 ADAELP c1cn(CCC[N@@H+]2CC[C@H]3C[C@H]32)c[nH+]1 776002754 582864552 /nfs/dbraw/zinc/86/45/52/582864552.db2.gz UJIADVGXHQXRJR-WDEREUQCSA-N 2 2 191.278 1.367 10 0 ADAELP c1cn(CCC[N@H+]2CC[C@H]3C[C@H]32)c[nH+]1 776002754 582864557 /nfs/dbraw/zinc/86/45/57/582864557.db2.gz UJIADVGXHQXRJR-WDEREUQCSA-N 2 2 191.278 1.367 10 0 ADAELP CC(C)=CCC[N@@H+]1CC[C@@H]1C[NH3+] 757146865 582942462 /nfs/dbraw/zinc/94/24/62/582942462.db2.gz RUFGHBYPXADYDO-SNVBAGLBSA-N 2 2 168.284 1.376 10 0 ADAELP CC(C)=CCC[N@H+]1CC[C@@H]1C[NH3+] 757146865 582942465 /nfs/dbraw/zinc/94/24/65/582942465.db2.gz RUFGHBYPXADYDO-SNVBAGLBSA-N 2 2 168.284 1.376 10 0 ADAELP CC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 757134710 582942744 /nfs/dbraw/zinc/94/27/44/582942744.db2.gz XBOYLQKKEDRXGO-GFCCVEGCSA-N 2 2 194.322 1.567 10 0 ADAELP CC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 757134710 582942747 /nfs/dbraw/zinc/94/27/47/582942747.db2.gz XBOYLQKKEDRXGO-GFCCVEGCSA-N 2 2 194.322 1.567 10 0 ADAELP CC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 757134730 582942931 /nfs/dbraw/zinc/94/29/31/582942931.db2.gz XBOYLQKKEDRXGO-LBPRGKRZSA-N 2 2 194.322 1.567 10 0 ADAELP CC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 757134730 582942934 /nfs/dbraw/zinc/94/29/34/582942934.db2.gz XBOYLQKKEDRXGO-LBPRGKRZSA-N 2 2 194.322 1.567 10 0 ADAELP CC(C)=CCC[N@@H+]1CC[C@H]1C[NH3+] 757146857 582944307 /nfs/dbraw/zinc/94/43/07/582944307.db2.gz RUFGHBYPXADYDO-JTQLQIEISA-N 2 2 168.284 1.376 10 0 ADAELP CC(C)=CCC[N@H+]1CC[C@H]1C[NH3+] 757146857 582944309 /nfs/dbraw/zinc/94/43/09/582944309.db2.gz RUFGHBYPXADYDO-JTQLQIEISA-N 2 2 168.284 1.376 10 0 ADAELP CC1(C)C[C@H]1CCC[N@@H+]1CC[C@H]1C[NH3+] 757146420 582944732 /nfs/dbraw/zinc/94/47/32/582944732.db2.gz NOOJSSQPKVWMOZ-MNOVXSKESA-N 2 2 196.338 1.846 10 0 ADAELP CC1(C)C[C@H]1CCC[N@H+]1CC[C@H]1C[NH3+] 757146420 582944733 /nfs/dbraw/zinc/94/47/33/582944733.db2.gz NOOJSSQPKVWMOZ-MNOVXSKESA-N 2 2 196.338 1.846 10 0 ADAELP CC1(C)C[C@H]1CCC[N@@H+]1CC[C@@H]1C[NH3+] 757146414 582944804 /nfs/dbraw/zinc/94/48/04/582944804.db2.gz NOOJSSQPKVWMOZ-GHMZBOCLSA-N 2 2 196.338 1.846 10 0 ADAELP CC1(C)C[C@H]1CCC[N@H+]1CC[C@@H]1C[NH3+] 757146414 582944806 /nfs/dbraw/zinc/94/48/06/582944806.db2.gz NOOJSSQPKVWMOZ-GHMZBOCLSA-N 2 2 196.338 1.846 10 0 ADAELP CC[C@@]1(C)CCO[C@]2(CCC[NH2+]C2)[NH2+]1 757146863 582944871 /nfs/dbraw/zinc/94/48/71/582944871.db2.gz LLQBJYFIIYPDHK-QWRGUYRKSA-N 2 2 198.310 1.245 10 0 ADAELP CC[C@]1(C)CCO[C@@]2(CCC[NH2+]C2)[NH2+]1 757146812 582945064 /nfs/dbraw/zinc/94/50/64/582945064.db2.gz LLQBJYFIIYPDHK-GHMZBOCLSA-N 2 2 198.310 1.245 10 0 ADAELP CC[C@]1(C)CCO[C@]2(CCC[NH2+]C2)[NH2+]1 757146843 582945174 /nfs/dbraw/zinc/94/51/74/582945174.db2.gz LLQBJYFIIYPDHK-MNOVXSKESA-N 2 2 198.310 1.245 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](c2ccsc2)[C@H]1[NH3+] 757213875 582951627 /nfs/dbraw/zinc/95/16/27/582951627.db2.gz KMYJFVCJMKCRHL-FKTZTGRPSA-N 2 2 196.319 1.746 10 0 ADAELP [NH3+][C@H]1CC[C@H](c2cccs2)[NH2+]C1 757214359 582951720 /nfs/dbraw/zinc/95/17/20/582951720.db2.gz MBSHQFWGXPSUAZ-JGVFFNPUSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](c2ccsc2)[C@@H]1[NH3+] 757213888 582951782 /nfs/dbraw/zinc/95/17/82/582951782.db2.gz KMYJFVCJMKCRHL-SZEHBUNVSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](c2ccsc2)[C@@H]1[NH3+] 757213880 582951791 /nfs/dbraw/zinc/95/17/91/582951791.db2.gz KMYJFVCJMKCRHL-QNSHHTMESA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccs2)[NH2+]1 757213462 582951829 /nfs/dbraw/zinc/95/18/29/582951829.db2.gz KKRPPYXCLWTUAY-NQMVMOMDSA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](c2ccsc2)[C@H]([NH3+])C1 757215112 582951906 /nfs/dbraw/zinc/95/19/06/582951906.db2.gz MOOWTSSBMNFYJO-SFGNSQDASA-N 2 2 196.319 1.746 10 0 ADAELP [NH3+][C@H]1CC[C@@H](c2cccs2)[NH2+]C1 757214367 582951982 /nfs/dbraw/zinc/95/19/82/582951982.db2.gz MBSHQFWGXPSUAZ-YUMQZZPRSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cccs2)[NH2+]1 757213461 582952018 /nfs/dbraw/zinc/95/20/18/582952018.db2.gz KKRPPYXCLWTUAY-MRTMQBJTSA-N 2 2 196.319 1.888 10 0 ADAELP [NH3+][C@@H]1CC[C@H](c2ccsc2)[NH2+]C1 757214235 582952041 /nfs/dbraw/zinc/95/20/41/582952041.db2.gz LNMCNUDKFOZKHF-RKDXNWHRSA-N 2 2 182.292 1.500 10 0 ADAELP [NH3+][C@@H]1CC[C@@H](c2ccsc2)[NH2+]C1 757214222 582952117 /nfs/dbraw/zinc/95/21/17/582952117.db2.gz LNMCNUDKFOZKHF-BDAKNGLRSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](c2ccsc2)[C@H]1[NH3+] 757213878 582952185 /nfs/dbraw/zinc/95/21/85/582952185.db2.gz KMYJFVCJMKCRHL-JEZHCXPESA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cccs2)[NH2+]1 757213464 582952258 /nfs/dbraw/zinc/95/22/58/582952258.db2.gz KKRPPYXCLWTUAY-WEDXCCLWSA-N 2 2 196.319 1.888 10 0 ADAELP [NH3+][C@@H]1CC[C@@H](c2cccs2)[NH2+]C1 757214366 582952269 /nfs/dbraw/zinc/95/22/69/582952269.db2.gz MBSHQFWGXPSUAZ-SFYZADRCSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccs2)[NH2+]1 757213460 582952279 /nfs/dbraw/zinc/95/22/79/582952279.db2.gz KKRPPYXCLWTUAY-KHQFGBGNSA-N 2 2 196.319 1.888 10 0 ADAELP [NH3+][C@@H]1CC[C@H](c2cccs2)[NH2+]C1 757214356 582952333 /nfs/dbraw/zinc/95/23/33/582952333.db2.gz MBSHQFWGXPSUAZ-HTQZYQBOSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1C[NH2+][C@H](c2ccsc2)[C@H]([NH3+])C1 757215106 582952621 /nfs/dbraw/zinc/95/26/21/582952621.db2.gz MOOWTSSBMNFYJO-FXBDTBDDSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[NH2+][C@H](c2ccsc2)[C@@H]([NH3+])C1 757215116 582952953 /nfs/dbraw/zinc/95/29/53/582952953.db2.gz MOOWTSSBMNFYJO-UJNFCWOMSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](c2ccsc2)[C@@H]([NH3+])C1 757215109 582953547 /nfs/dbraw/zinc/95/35/47/582953547.db2.gz MOOWTSSBMNFYJO-HGNGGELXSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1ccsc1 757219895 582953872 /nfs/dbraw/zinc/95/38/72/582953872.db2.gz ZJGMFBWZPGPULL-QNSHHTMESA-N 2 2 196.319 1.746 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1ccsc1 757217388 582953943 /nfs/dbraw/zinc/95/39/43/582953943.db2.gz RSMMKOWCXNJSBY-IUCAKERBSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](c2cccs2)[C@@H]1[NH3+] 757218419 582953965 /nfs/dbraw/zinc/95/39/65/582953965.db2.gz VESORUUDTFYYQX-SZEHBUNVSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](c2cccs2)[C@@H]1[NH3+] 757218418 582954041 /nfs/dbraw/zinc/95/40/41/582954041.db2.gz VESORUUDTFYYQX-QNSHHTMESA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1ccsc1 757219894 582954078 /nfs/dbraw/zinc/95/40/78/582954078.db2.gz ZJGMFBWZPGPULL-JEZHCXPESA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1[NH2+][C@H](c2ccsc2)CC[C@@H]1[NH3+] 757219398 582954109 /nfs/dbraw/zinc/95/41/09/582954109.db2.gz YOGWZYYSNUIKTR-HGNGGELXSA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](c2ccccc2)[C@H]1[NH3+] 757217874 582954154 /nfs/dbraw/zinc/95/41/54/582954154.db2.gz SZVAZOFRLXRJCF-ADEWGFFLSA-N 2 2 190.290 1.684 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](c2ccccc2)[C@@H]1[NH3+] 757217879 582954168 /nfs/dbraw/zinc/95/41/68/582954168.db2.gz SZVAZOFRLXRJCF-JLLWLGSASA-N 2 2 190.290 1.684 10 0 ADAELP C[C@@H]1C[C@H](c2ccsc2)[NH2+]C[C@H]1[NH3+] 757219022 582954214 /nfs/dbraw/zinc/95/42/14/582954214.db2.gz XMKJGFVUNPLXMN-SZEHBUNVSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1[NH2+][C@@H](c2ccsc2)CC[C@H]1[NH3+] 757219396 582954327 /nfs/dbraw/zinc/95/43/27/582954327.db2.gz YOGWZYYSNUIKTR-FXBDTBDDSA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1C[C@H](c2ccsc2)[NH2+]C[C@@H]1[NH3+] 757219014 582954334 /nfs/dbraw/zinc/95/43/34/582954334.db2.gz XMKJGFVUNPLXMN-FKTZTGRPSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1[NH2+][C@@H](c2ccsc2)CC[C@@H]1[NH3+] 757219401 582954402 /nfs/dbraw/zinc/95/44/02/582954402.db2.gz YOGWZYYSNUIKTR-UJNFCWOMSA-N 2 2 196.319 1.888 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccsc1 757217385 582954436 /nfs/dbraw/zinc/95/44/36/582954436.db2.gz RSMMKOWCXNJSBY-DTWKUNHWSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1C[C@@H](c2ccsc2)[NH2+]C[C@@H]1[NH3+] 757219017 582954441 /nfs/dbraw/zinc/95/44/41/582954441.db2.gz XMKJGFVUNPLXMN-JEZHCXPESA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1ccsc1 757219896 582954531 /nfs/dbraw/zinc/95/45/31/582954531.db2.gz ZJGMFBWZPGPULL-SZEHBUNVSA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](c2cccs2)[C@H]1[NH3+] 757218414 582954559 /nfs/dbraw/zinc/95/45/59/582954559.db2.gz VESORUUDTFYYQX-JEZHCXPESA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1ccsc1 757219893 582954596 /nfs/dbraw/zinc/95/45/96/582954596.db2.gz ZJGMFBWZPGPULL-FKTZTGRPSA-N 2 2 196.319 1.746 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1ccsc1 757217381 582954700 /nfs/dbraw/zinc/95/47/00/582954700.db2.gz RSMMKOWCXNJSBY-BDAKNGLRSA-N 2 2 182.292 1.500 10 0 ADAELP C[C@@H]1[NH2+][C@H](c2ccsc2)CC[C@H]1[NH3+] 757219400 582954704 /nfs/dbraw/zinc/95/47/04/582954704.db2.gz YOGWZYYSNUIKTR-SFGNSQDASA-N 2 2 196.319 1.888 10 0 ADAELP C[C@@H]1C[C@@H](c2ccsc2)[NH2+]C[C@H]1[NH3+] 757219019 582954745 /nfs/dbraw/zinc/95/47/45/582954745.db2.gz XMKJGFVUNPLXMN-QNSHHTMESA-N 2 2 196.319 1.746 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](c2ccccc2)[C@@H]1[NH3+] 757217882 582954795 /nfs/dbraw/zinc/95/47/95/582954795.db2.gz SZVAZOFRLXRJCF-YUSALJHKSA-N 2 2 190.290 1.684 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](c2ccccc2)[C@H]1[NH3+] 757217880 582954875 /nfs/dbraw/zinc/95/48/75/582954875.db2.gz SZVAZOFRLXRJCF-USWWRNFRSA-N 2 2 190.290 1.684 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](c2cccs2)[C@H]1[NH3+] 757218408 582954966 /nfs/dbraw/zinc/95/49/66/582954966.db2.gz VESORUUDTFYYQX-FKTZTGRPSA-N 2 2 196.319 1.746 10 0 ADAELP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)CC1 816548298 582985720 /nfs/dbraw/zinc/98/57/20/582985720.db2.gz CHTZIWHHZATKJO-RYUDHWBXSA-N 2 2 194.322 1.779 10 0 ADAELP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](C)C2)CC1 816548298 582985724 /nfs/dbraw/zinc/98/57/24/582985724.db2.gz CHTZIWHHZATKJO-RYUDHWBXSA-N 2 2 194.322 1.779 10 0 ADAELP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 816548299 582986023 /nfs/dbraw/zinc/98/60/23/582986023.db2.gz CHTZIWHHZATKJO-VXGBXAGGSA-N 2 2 194.322 1.779 10 0 ADAELP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)CC1 816548299 582986024 /nfs/dbraw/zinc/98/60/24/582986024.db2.gz CHTZIWHHZATKJO-VXGBXAGGSA-N 2 2 194.322 1.779 10 0 ADAELP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 816548297 582986112 /nfs/dbraw/zinc/98/61/12/582986112.db2.gz CHTZIWHHZATKJO-NWDGAFQWSA-N 2 2 194.322 1.779 10 0 ADAELP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)CC1 816548297 582986114 /nfs/dbraw/zinc/98/61/14/582986114.db2.gz CHTZIWHHZATKJO-NWDGAFQWSA-N 2 2 194.322 1.779 10 0 ADAELP CC1=CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)CC1 816548296 582986181 /nfs/dbraw/zinc/98/61/81/582986181.db2.gz CHTZIWHHZATKJO-NEPJUHHUSA-N 2 2 194.322 1.779 10 0 ADAELP CC1=CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)CC1 816548296 582986183 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YAJXMQDCKFAOST-SNVBAGLBSA-N 2 2 186.274 1.031 10 0 ADAELP FCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 842475669 583123282 /nfs/dbraw/zinc/12/32/82/583123282.db2.gz YAJXMQDCKFAOST-SNVBAGLBSA-N 2 2 186.274 1.031 10 0 ADAELP CC(C)c1nc(NCCC[NH3+])cc[nH+]1 107184029 583164090 /nfs/dbraw/zinc/16/40/90/583164090.db2.gz GDQORAVEPZHTCK-UHFFFAOYSA-N 2 2 194.282 1.361 10 0 ADAELP CC(C)c1nc(NC[C@H](C)[NH3+])cc[nH+]1 107184034 583164248 /nfs/dbraw/zinc/16/42/48/583164248.db2.gz RAHZKYHBUIOVNR-QMMMGPOBSA-N 2 2 194.282 1.359 10 0 ADAELP CC(C)c1nc(NC[C@@H](C)[NH3+])cc[nH+]1 107184031 583164443 /nfs/dbraw/zinc/16/44/43/583164443.db2.gz RAHZKYHBUIOVNR-MRVPVSSYSA-N 2 2 194.282 1.359 10 0 ADAELP CC(C)c1nc(N[C@@H](C)C[NH3+])cc[nH+]1 107184036 583164482 /nfs/dbraw/zinc/16/44/82/583164482.db2.gz USPOGQBRABHZKE-QMMMGPOBSA-N 2 2 194.282 1.359 10 0 ADAELP C[C@@H](C[NH3+])Nc1cc[nH+]c(C2CC2)n1 107179959 583164498 /nfs/dbraw/zinc/16/44/98/583164498.db2.gz VSYBWLHQHRXAKM-ZETCQYMHSA-N 2 2 192.266 1.113 10 0 ADAELP CC(C)c1nc(N[C@H](C)C[NH3+])cc[nH+]1 107184039 583164782 /nfs/dbraw/zinc/16/47/82/583164782.db2.gz USPOGQBRABHZKE-MRVPVSSYSA-N 2 2 194.282 1.359 10 0 ADAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCF 848601127 583170235 /nfs/dbraw/zinc/17/02/35/583170235.db2.gz QREZKWHBIGCSDE-UHFFFAOYSA-N 2 2 186.274 1.159 10 0 ADAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCF 848601127 583170239 /nfs/dbraw/zinc/17/02/39/583170239.db2.gz QREZKWHBIGCSDE-UHFFFAOYSA-N 2 2 186.274 1.159 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1C=CCC1 850359066 583185202 /nfs/dbraw/zinc/18/52/02/583185202.db2.gz UYHCSQYYEDNITK-MXWKQRLJSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1C=CCC1 850359066 583185200 /nfs/dbraw/zinc/18/52/00/583185200.db2.gz UYHCSQYYEDNITK-MXWKQRLJSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1C=CCC1 850359065 583185559 /nfs/dbraw/zinc/18/55/59/583185559.db2.gz UYHCSQYYEDNITK-GMTAPVOTSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1C=CCC1 850359065 583185564 /nfs/dbraw/zinc/18/55/64/583185564.db2.gz UYHCSQYYEDNITK-GMTAPVOTSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C=CCC1 850359067 583185783 /nfs/dbraw/zinc/18/57/83/583185783.db2.gz UYHCSQYYEDNITK-OUAUKWLOSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C=CCC1 850359067 583185784 /nfs/dbraw/zinc/18/57/84/583185784.db2.gz UYHCSQYYEDNITK-OUAUKWLOSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C=CCC1 850359068 583185815 /nfs/dbraw/zinc/18/58/15/583185815.db2.gz UYHCSQYYEDNITK-VWYCJHECSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C=CCC1 850359068 583185816 /nfs/dbraw/zinc/18/58/16/583185816.db2.gz UYHCSQYYEDNITK-VWYCJHECSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 858567097 583272253 /nfs/dbraw/zinc/27/22/53/583272253.db2.gz SZCYBDRZZDFDHN-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 858567097 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213367260 583458316 /nfs/dbraw/zinc/45/83/16/583458316.db2.gz LSIQUEWVMPPXLN-SECBINFHSA-N 2 2 188.340 1.161 10 0 ADAELP CC[N@@H+]1CC[NH2+]CCC1(C)C 218636155 583492931 /nfs/dbraw/zinc/49/29/31/583492931.db2.gz ZYDMOZKNUGZPQK-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC[N@H+]1CC[NH2+]CCC1(C)C 218636155 583492934 /nfs/dbraw/zinc/49/29/34/583492934.db2.gz ZYDMOZKNUGZPQK-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@@H+]1CC[NH2+]CCC1(C)C 218812647 583494054 /nfs/dbraw/zinc/49/40/54/583494054.db2.gz FXCDQUUQIHNCEH-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@H+]1CC[NH2+]CCC1(C)C 218812647 583494056 /nfs/dbraw/zinc/49/40/56/583494056.db2.gz FXCDQUUQIHNCEH-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CC(C)CC1CC[NH+](CC[NH3+])CC1 219129236 583495920 /nfs/dbraw/zinc/49/59/20/583495920.db2.gz ICMHHJREFWVETL-UHFFFAOYSA-N 2 2 184.327 1.703 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+]CCC1(C)C 219138507 583496388 /nfs/dbraw/zinc/49/63/88/583496388.db2.gz HILALGFTRIKGER-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 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/nfs/dbraw/zinc/11/23/55/491112355.db2.gz DQJRPEDTUUBCRR-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP CC1(C[NH2+]CCn2cc[nH+]c2)CCC1 308578418 491112567 /nfs/dbraw/zinc/11/25/67/491112567.db2.gz NVDYDGRDJSRZMX-UHFFFAOYSA-N 2 2 193.294 1.663 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)C 308583799 491112822 /nfs/dbraw/zinc/11/28/22/491112822.db2.gz HPIGHNRMJROJMQ-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(C)(C)C 308583799 491112824 /nfs/dbraw/zinc/11/28/24/491112824.db2.gz HPIGHNRMJROJMQ-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(C)(C)C 308583797 491112944 /nfs/dbraw/zinc/11/29/44/491112944.db2.gz HPIGHNRMJROJMQ-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(C)(C)C 308583797 491112946 /nfs/dbraw/zinc/11/29/46/491112946.db2.gz HPIGHNRMJROJMQ-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(C)(C)C 308583798 491112949 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/nfs/dbraw/zinc/11/31/23/491113123.db2.gz JFHWFQWOORGIRA-JQWIXIFHSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 308588171 491113124 /nfs/dbraw/zinc/11/31/24/491113124.db2.gz JFHWFQWOORGIRA-JQWIXIFHSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 308588170 491113126 /nfs/dbraw/zinc/11/31/26/491113126.db2.gz JFHWFQWOORGIRA-CMPLNLGQSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 308588170 491113127 /nfs/dbraw/zinc/11/31/27/491113127.db2.gz JFHWFQWOORGIRA-CMPLNLGQSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C 308588172 491113132 /nfs/dbraw/zinc/11/31/32/491113132.db2.gz JFHWFQWOORGIRA-PWSUYJOCSA-N 2 2 198.354 1.962 10 0 ADAELP CCC(CC)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 308588172 491113133 /nfs/dbraw/zinc/11/31/33/491113133.db2.gz JFHWFQWOORGIRA-PWSUYJOCSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 308593541 491113456 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/nfs/dbraw/zinc/11/35/53/491113553.db2.gz LIJLFLADXVPXDU-SRVKXCTJSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2C)C1 308593538 491113555 /nfs/dbraw/zinc/11/35/55/491113555.db2.gz LIJLFLADXVPXDU-SRVKXCTJSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)=CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 308599258 491113753 /nfs/dbraw/zinc/11/37/53/491113753.db2.gz AHCUNRCYUGXBGC-NEPJUHHUSA-N 2 2 196.338 1.882 10 0 ADAELP CC(C)=CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C 308599258 491113754 /nfs/dbraw/zinc/11/37/54/491113754.db2.gz AHCUNRCYUGXBGC-NEPJUHHUSA-N 2 2 196.338 1.882 10 0 ADAELP CC(C)=CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 308599260 491113758 /nfs/dbraw/zinc/11/37/58/491113758.db2.gz AHCUNRCYUGXBGC-NWDGAFQWSA-N 2 2 196.338 1.882 10 0 ADAELP CC(C)=CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 308599260 491113759 /nfs/dbraw/zinc/11/37/59/491113759.db2.gz AHCUNRCYUGXBGC-NWDGAFQWSA-N 2 2 196.338 1.882 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+][C@H](C)C(C)C)C1 308600405 491113766 /nfs/dbraw/zinc/11/37/66/491113766.db2.gz ODGJRBPFOMLJLL-TUAOUCFPSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+][C@H](C)C(C)C)C1 308600405 491113767 /nfs/dbraw/zinc/11/37/67/491113767.db2.gz ODGJRBPFOMLJLL-TUAOUCFPSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)=CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 308599263 491113778 /nfs/dbraw/zinc/11/37/78/491113778.db2.gz AHCUNRCYUGXBGC-RYUDHWBXSA-N 2 2 196.338 1.882 10 0 ADAELP CC(C)=CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 308599263 491113779 /nfs/dbraw/zinc/11/37/79/491113779.db2.gz AHCUNRCYUGXBGC-RYUDHWBXSA-N 2 2 196.338 1.882 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C(C)C)C1 308600398 491113823 /nfs/dbraw/zinc/11/38/23/491113823.db2.gz ODGJRBPFOMLJLL-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C(C)C)C1 308600398 491113824 /nfs/dbraw/zinc/11/38/24/491113824.db2.gz ODGJRBPFOMLJLL-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C(C)C)C1 308600394 491113858 /nfs/dbraw/zinc/11/38/58/491113858.db2.gz ODGJRBPFOMLJLL-QJPTWQEYSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C(C)C)C1 308600394 491113860 /nfs/dbraw/zinc/11/38/60/491113860.db2.gz ODGJRBPFOMLJLL-QJPTWQEYSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+][C@@H](C)C(C)C)C1 308600400 491113863 /nfs/dbraw/zinc/11/38/63/491113863.db2.gz ODGJRBPFOMLJLL-SRVKXCTJSA-N 2 2 198.354 1.961 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+][C@@H](C)C(C)C)C1 308600400 491113864 /nfs/dbraw/zinc/11/38/64/491113864.db2.gz ODGJRBPFOMLJLL-SRVKXCTJSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)=CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 308599265 491113885 /nfs/dbraw/zinc/11/38/85/491113885.db2.gz AHCUNRCYUGXBGC-VXGBXAGGSA-N 2 2 196.338 1.882 10 0 ADAELP CC(C)=CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 308599265 491113886 /nfs/dbraw/zinc/11/38/86/491113886.db2.gz AHCUNRCYUGXBGC-VXGBXAGGSA-N 2 2 196.338 1.882 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 308744482 491118756 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491118276 /nfs/dbraw/zinc/11/82/76/491118276.db2.gz HQOFWOSQEOQUDO-HBNTYKKESA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC1(C)C 308728119 491118300 /nfs/dbraw/zinc/11/83/00/491118300.db2.gz HQOFWOSQEOQUDO-GARJFASQSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC1(C)C 308728115 491118303 /nfs/dbraw/zinc/11/83/03/491118303.db2.gz HQOFWOSQEOQUDO-DCAQKATOSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C 308738303 491118361 /nfs/dbraw/zinc/11/83/61/491118361.db2.gz NAOPWLNSQYAZJP-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C 308738303 491118362 /nfs/dbraw/zinc/11/83/62/491118362.db2.gz NAOPWLNSQYAZJP-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C 308738305 491118390 /nfs/dbraw/zinc/11/83/90/491118390.db2.gz NAOPWLNSQYAZJP-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C 308738305 491118391 /nfs/dbraw/zinc/11/83/91/491118391.db2.gz NAOPWLNSQYAZJP-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C 308738304 491118470 /nfs/dbraw/zinc/11/84/70/491118470.db2.gz NAOPWLNSQYAZJP-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C 308738304 491118471 /nfs/dbraw/zinc/11/84/71/491118471.db2.gz NAOPWLNSQYAZJP-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C 308738302 491118493 /nfs/dbraw/zinc/11/84/93/491118493.db2.gz NAOPWLNSQYAZJP-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C 308738302 491118494 /nfs/dbraw/zinc/11/84/94/491118494.db2.gz NAOPWLNSQYAZJP-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C 308744483 491118743 /nfs/dbraw/zinc/11/87/43/491118743.db2.gz QQFATLWBCZUBLB-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 308744483 491118744 /nfs/dbraw/zinc/11/87/44/491118744.db2.gz QQFATLWBCZUBLB-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 308744482 491118755 /nfs/dbraw/zinc/11/87/55/491118755.db2.gz QQFATLWBCZUBLB-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 308744481 491118838 /nfs/dbraw/zinc/11/88/38/491118838.db2.gz QQFATLWBCZUBLB-WHOHXGKFSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 308744481 491118840 /nfs/dbraw/zinc/11/88/40/491118840.db2.gz QQFATLWBCZUBLB-WHOHXGKFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C 388353045 491119439 /nfs/dbraw/zinc/11/94/39/491119439.db2.gz PFDDUQWMGIGNLT-LMLFDSFASA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 388353048 491119444 /nfs/dbraw/zinc/11/94/44/491119444.db2.gz PFDDUQWMGIGNLT-VPOLOUISSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](C)[C@H]1C 388353050 491119492 /nfs/dbraw/zinc/11/94/92/491119492.db2.gz PFDDUQWMGIGNLT-YTWAJWBKSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](C)[C@@H]1C 388353047 491119505 /nfs/dbraw/zinc/11/95/05/491119505.db2.gz PFDDUQWMGIGNLT-RCWTZXSCSA-N 2 2 184.327 1.571 10 0 ADAELP Nc1[nH+]cccc1-c1ccc(C[NH3+])cc1 82729960 1188776703 /nfs/dbraw/zinc/77/67/03/1188776703.db2.gz YGPXNKXJYQWAJC-UHFFFAOYSA-N 2 2 199.257 1.790 10 0 ADAELP Nc1cc(-c2cccc(C[NH3+])c2)cc[nH+]1 82729983 1188776742 /nfs/dbraw/zinc/77/67/42/1188776742.db2.gz ZVAJQZHVZUBWRR-UHFFFAOYSA-N 2 2 199.257 1.790 10 0 ADAELP Nc1ccc(-c2ccc(C[NH3+])cc2)c[nH+]1 82729999 1188777047 /nfs/dbraw/zinc/77/70/47/1188777047.db2.gz KRJPGZJGYANTNF-UHFFFAOYSA-N 2 2 199.257 1.790 10 0 ADAELP Nc1[nH+]cccc1-c1cccc(C[NH3+])c1 82729963 1188777119 /nfs/dbraw/zinc/77/71/19/1188777119.db2.gz CPXSRJAKEASRDA-UHFFFAOYSA-N 2 2 199.257 1.790 10 0 ADAELP Nc1cc(-c2ccc(C[NH3+])cc2)cc[nH+]1 82729980 1188777198 /nfs/dbraw/zinc/77/71/98/1188777198.db2.gz UWBVYGFMAOFLNE-UHFFFAOYSA-N 2 2 199.257 1.790 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)C1 227598153 1188788561 /nfs/dbraw/zinc/78/85/61/1188788561.db2.gz ONWLHIXGCIBYDW-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+](C)C)C1 227598160 1188788990 /nfs/dbraw/zinc/78/89/90/1188788990.db2.gz ONWLHIXGCIBYDW-MXWKQRLJSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH+]1CC(C[NH2+]C2CCCCC2)C1 307127868 1188805532 /nfs/dbraw/zinc/80/55/32/1188805532.db2.gz CVYDAJFMJHOSNJ-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cc(NCCC[NH3+])c[nH+]c1C 307271699 697739625 /nfs/dbraw/zinc/73/96/25/697739625.db2.gz SDKQNTYWOHJDMX-UHFFFAOYSA-N 2 2 179.267 1.459 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C)C1 307318202 697741404 /nfs/dbraw/zinc/74/14/04/697741404.db2.gz LVSMIEHGQJLZSA-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2C)C1 307318202 697741409 /nfs/dbraw/zinc/74/14/09/697741409.db2.gz LVSMIEHGQJLZSA-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 307318200 697741553 /nfs/dbraw/zinc/74/15/53/697741553.db2.gz LVSMIEHGQJLZSA-NNYUYHANSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 307318200 697741556 /nfs/dbraw/zinc/74/15/56/697741556.db2.gz LVSMIEHGQJLZSA-NNYUYHANSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C)C1 307318198 697741718 /nfs/dbraw/zinc/74/17/18/697741718.db2.gz LVSMIEHGQJLZSA-FIQHERPVSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2C)C1 307318198 697741722 /nfs/dbraw/zinc/74/17/22/697741722.db2.gz LVSMIEHGQJLZSA-FIQHERPVSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 307318204 697741738 /nfs/dbraw/zinc/74/17/38/697741738.db2.gz LVSMIEHGQJLZSA-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 307318204 697741742 /nfs/dbraw/zinc/74/17/42/697741742.db2.gz LVSMIEHGQJLZSA-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)C1([NH2+]CC[NH+]2CCCC2)CC1 378860062 697791050 /nfs/dbraw/zinc/79/10/50/697791050.db2.gz ODPCODATDKJTQC-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C 379612678 697904647 /nfs/dbraw/zinc/90/46/47/697904647.db2.gz VXEHALPWMISRLW-SRVKXCTJSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+](C)C 379612676 697904768 /nfs/dbraw/zinc/90/47/68/697904768.db2.gz VXEHALPWMISRLW-QJPTWQEYSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+](C)C 379612677 697904774 /nfs/dbraw/zinc/90/47/74/697904774.db2.gz VXEHALPWMISRLW-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C 379612679 697904898 /nfs/dbraw/zinc/90/48/98/697904898.db2.gz VXEHALPWMISRLW-TUAOUCFPSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C 379630333 697906441 /nfs/dbraw/zinc/90/64/41/697906441.db2.gz MTIIVESFBIAHPP-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C 379630335 697906632 /nfs/dbraw/zinc/90/66/32/697906632.db2.gz MTIIVESFBIAHPP-SRVKXCTJSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C 379630336 697906677 /nfs/dbraw/zinc/90/66/77/697906677.db2.gz MTIIVESFBIAHPP-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+](C)C 379630334 697906684 /nfs/dbraw/zinc/90/66/84/697906684.db2.gz MTIIVESFBIAHPP-SDDRHHMPSA-N 2 2 198.354 1.961 10 0 ADAELP [NH3+][C@H](CC(F)F)C[NH+]1CCCCC1 388619359 697980279 /nfs/dbraw/zinc/98/02/79/697980279.db2.gz DXEMHCRQUWPFAK-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP [NH3+][C@@H](CC(F)F)C[NH+]1CCCCC1 388619361 697980253 /nfs/dbraw/zinc/98/02/53/697980253.db2.gz DXEMHCRQUWPFAK-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP C/C=C\C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396703622 698037198 /nfs/dbraw/zinc/03/71/98/698037198.db2.gz LZMZPUYHDVGEPX-HWKXXFMVSA-N 2 2 168.284 1.293 10 0 ADAELP C/C=C\C[NH2+][C@@H]1CCC[NH2+][C@H]1C 396703623 698037803 /nfs/dbraw/zinc/03/78/03/698037803.db2.gz LZMZPUYHDVGEPX-RWCMCFKCSA-N 2 2 168.284 1.293 10 0 ADAELP Cc1coc(C[NH2+]CCC[NH+](C)C)c1 718135848 698066399 /nfs/dbraw/zinc/06/63/99/698066399.db2.gz RBJLDMCXSVFYBO-UHFFFAOYSA-N 2 2 196.294 1.629 10 0 ADAELP C[NH2+]CC[N@H+](CCCF)C(C)C 720784964 698067372 /nfs/dbraw/zinc/06/73/72/698067372.db2.gz TUPDFWGQAGNBML-UHFFFAOYSA-N 2 2 176.279 1.276 10 0 ADAELP C[NH2+]CC[N@@H+](CCCF)C(C)C 720784964 698067376 /nfs/dbraw/zinc/06/73/76/698067376.db2.gz TUPDFWGQAGNBML-UHFFFAOYSA-N 2 2 176.279 1.276 10 0 ADAELP CC(C)[C@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C 824988545 698109555 /nfs/dbraw/zinc/10/95/55/698109555.db2.gz MTIIVESFBIAHPP-TUAOUCFPSA-N 2 2 198.354 1.961 10 0 ADAELP Cc1ccc(C)c(N2CC[NH2+]CC2)[nH+]1 34750859 132187823 /nfs/dbraw/zinc/18/78/23/132187823.db2.gz REEWVEBDUZVMMX-UHFFFAOYSA-N 2 2 191.278 1.108 10 0 ADAELP [NH3+]Cc1cc(N2CCCCC2)cc[nH+]1 51396457 132191877 /nfs/dbraw/zinc/19/18/77/132191877.db2.gz XXULYJRSABJPOV-UHFFFAOYSA-N 2 2 191.278 1.531 10 0 ADAELP CCc1[nH+]c(C[NH3+])c2ccccn12 20222744 343069966 /nfs/dbraw/zinc/06/99/66/343069966.db2.gz OTZONCUDKDTMDD-UHFFFAOYSA-N 2 2 175.235 1.355 10 0 ADAELP CC(C)c1[nH+]c(C[NH3+])c2ccccn12 20222745 343070013 /nfs/dbraw/zinc/07/00/13/343070013.db2.gz IJMGUKQJKKMZSY-UHFFFAOYSA-N 2 2 189.262 1.916 10 0 ADAELP CC(C)[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] 22565001 343081891 /nfs/dbraw/zinc/08/18/91/343081891.db2.gz VGIPBSKEZVRKSA-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] 22565001 343081892 /nfs/dbraw/zinc/08/18/92/343081892.db2.gz VGIPBSKEZVRKSA-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)n1cc[nH+]c1 22566903 343081901 /nfs/dbraw/zinc/08/19/01/343081901.db2.gz BWMGYWUGNRQIIS-JGVFFNPUSA-N 2 2 153.229 1.181 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[NH+]1CCC(C)CC1 22565983 343081904 /nfs/dbraw/zinc/08/19/04/343081904.db2.gz CIGMXBLUVYEWLP-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[NH+]1CCC(C)CC1 22565993 343081961 /nfs/dbraw/zinc/08/19/61/343081961.db2.gz CIGMXBLUVYEWLP-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC[C@@H]1C 23069326 343083315 /nfs/dbraw/zinc/08/33/15/343083315.db2.gz DPGKJBHUFNPJFG-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCCC[C@@H]1C 23069326 343083317 /nfs/dbraw/zinc/08/33/17/343083317.db2.gz DPGKJBHUFNPJFG-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]1CC[C@H]([NH3+])[C@@H](n2cc[nH+]c2)C1 23069933 343083519 /nfs/dbraw/zinc/08/35/19/343083519.db2.gz LSWRRDKXEBPVOP-VWYCJHECSA-N 2 2 193.294 1.962 10 0 ADAELP C[C@H]([C@@H]1CCCC[NH2+]1)[NH+](C)C 34370463 343117945 /nfs/dbraw/zinc/11/79/45/343117945.db2.gz NOKVCXYXEIVPCI-BDAKNGLRSA-N 2 2 156.273 1.079 10 0 ADAELP CC1(C)CCC[NH2+][C@H]1C[NH+]1CC=CC1 34435078 343119387 /nfs/dbraw/zinc/11/93/87/343119387.db2.gz XJCIREGSPHNQBN-NSHDSACASA-N 2 2 194.322 1.636 10 0 ADAELP Cc1[nH+]c2cc(C[NH3+])ccn2c1C 36243432 343142842 /nfs/dbraw/zinc/14/28/42/343142842.db2.gz SQNXRSFENCQFSD-UHFFFAOYSA-N 2 2 175.235 1.410 10 0 in-vitro ADAELP Cc1[nH+]c2ccc(C[NH3+])cn2c1C 36243531 343142864 /nfs/dbraw/zinc/14/28/64/343142864.db2.gz DSCXLDHZLRXAOI-UHFFFAOYSA-N 2 2 175.235 1.410 10 0 ADAELP C[C@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[NH2+]C1 36379428 343144536 /nfs/dbraw/zinc/14/45/36/343144536.db2.gz QQRILNLFDBBTQQ-GARJFASQSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 36875054 343152216 /nfs/dbraw/zinc/15/22/16/343152216.db2.gz PXHCGVLYKKBCTC-GMTAPVOTSA-N 2 2 184.327 1.843 10 0 ADAELP CCC[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 37098282 343159740 /nfs/dbraw/zinc/15/97/40/343159740.db2.gz OQOCRXAMNMCQMX-UWVGGRQHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 37098282 343159741 /nfs/dbraw/zinc/15/97/41/343159741.db2.gz OQOCRXAMNMCQMX-UWVGGRQHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] 37098225 343159749 /nfs/dbraw/zinc/15/97/49/343159749.db2.gz SUHXPZJNPVSUTF-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] 37098225 343159750 /nfs/dbraw/zinc/15/97/50/343159750.db2.gz SUHXPZJNPVSUTF-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CC(C)[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1 37107186 343159829 /nfs/dbraw/zinc/15/98/29/343159829.db2.gz WAGRCWCGYMTYPU-WDEREUQCSA-N 2 2 193.294 1.975 10 0 ADAELP CCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37098232 343159835 /nfs/dbraw/zinc/15/98/35/343159835.db2.gz JJCBTDFMURFCKN-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37098232 343159836 /nfs/dbraw/zinc/15/98/36/343159836.db2.gz JJCBTDFMURFCKN-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 37107182 343159853 /nfs/dbraw/zinc/15/98/53/343159853.db2.gz WAGRCWCGYMTYPU-MNOVXSKESA-N 2 2 193.294 1.975 10 0 ADAELP CC(C)[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 37107184 343159860 /nfs/dbraw/zinc/15/98/60/343159860.db2.gz WAGRCWCGYMTYPU-QWRGUYRKSA-N 2 2 193.294 1.975 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 37098222 343159866 /nfs/dbraw/zinc/15/98/66/343159866.db2.gz AWWXWNCFPXHZLA-DTWKUNHWSA-N 2 2 156.273 1.208 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 37098222 343159867 /nfs/dbraw/zinc/15/98/67/343159867.db2.gz AWWXWNCFPXHZLA-DTWKUNHWSA-N 2 2 156.273 1.208 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[NH3+])cc1C 37180097 343162097 /nfs/dbraw/zinc/16/20/97/343162097.db2.gz NHVHKTLKRYPTBI-JTQLQIEISA-N 2 2 164.252 1.262 10 0 ADAELP CC[C@@H]1CCCC[N@@H+]1CC(N)=[NH2+] 37084369 343159229 /nfs/dbraw/zinc/15/92/29/343159229.db2.gz RWZVCGVOGVNZSA-MRVPVSSYSA-N 2 2 169.272 1.187 10 0 ADAELP CC[C@@H]1CCCC[N@H+]1CC(N)=[NH2+] 37084369 343159230 /nfs/dbraw/zinc/15/92/30/343159230.db2.gz RWZVCGVOGVNZSA-MRVPVSSYSA-N 2 2 169.272 1.187 10 0 ADAELP CC[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 37914089 343181029 /nfs/dbraw/zinc/18/10/29/343181029.db2.gz OMTWJMZZZHNBJN-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 37914089 343181030 /nfs/dbraw/zinc/18/10/30/343181030.db2.gz OMTWJMZZZHNBJN-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 38791368 343190641 /nfs/dbraw/zinc/19/06/41/343190641.db2.gz RWOXPDDVWGUIPB-UWVGGRQHSA-N 2 2 195.310 1.577 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 38791368 343190642 /nfs/dbraw/zinc/19/06/42/343190642.db2.gz RWOXPDDVWGUIPB-UWVGGRQHSA-N 2 2 195.310 1.577 10 0 ADAELP CCC[NH+](CCC)C[C@H]([NH3+])CC 38801451 343190650 /nfs/dbraw/zinc/19/06/50/343190650.db2.gz QXUDZTPZHXQXMI-SNVBAGLBSA-N 2 2 172.316 1.846 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 38790952 343190656 /nfs/dbraw/zinc/19/06/56/343190656.db2.gz UQBQGSWIRRTCSB-UWVGGRQHSA-N 2 2 195.310 1.434 10 0 ADAELP NC(=[NH2+])C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 38790952 343190657 /nfs/dbraw/zinc/19/06/57/343190657.db2.gz UQBQGSWIRRTCSB-UWVGGRQHSA-N 2 2 195.310 1.434 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+](C)C1CCCCC1 38801471 343190667 /nfs/dbraw/zinc/19/06/67/343190667.db2.gz OYBXKDGRXYSVBT-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+](C)C1CCCCC1 38801471 343190668 /nfs/dbraw/zinc/19/06/68/343190668.db2.gz OYBXKDGRXYSVBT-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[NH+](CCC)C[C@@H]([NH3+])CC 38801454 343190674 /nfs/dbraw/zinc/19/06/74/343190674.db2.gz QXUDZTPZHXQXMI-JTQLQIEISA-N 2 2 172.316 1.846 10 0 ADAELP CC[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC 38801485 343190680 /nfs/dbraw/zinc/19/06/80/343190680.db2.gz FVSBHTLZBDJNHA-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC 38801485 343190681 /nfs/dbraw/zinc/19/06/81/343190681.db2.gz FVSBHTLZBDJNHA-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@@H+]1CC(N)=[NH2+] 38986354 343192683 /nfs/dbraw/zinc/19/26/83/343192683.db2.gz XKEVJGVNTOLXLQ-OCAPTIKFSA-N 2 2 169.272 1.185 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@H+]1CC(N)=[NH2+] 38986354 343192684 /nfs/dbraw/zinc/19/26/84/343192684.db2.gz XKEVJGVNTOLXLQ-OCAPTIKFSA-N 2 2 169.272 1.185 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+](C)C1CCCCC1 38801468 343190411 /nfs/dbraw/zinc/19/04/11/343190411.db2.gz OYBXKDGRXYSVBT-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]CC1CC1 40544046 343220178 /nfs/dbraw/zinc/22/01/78/343220178.db2.gz ADNVZPTVYRDXKO-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]CC1CC1 40544046 343220179 /nfs/dbraw/zinc/22/01/79/343220179.db2.gz ADNVZPTVYRDXKO-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1(C)CC1 40672671 343220893 /nfs/dbraw/zinc/22/08/93/343220893.db2.gz JYKVTEICXGGNFR-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1(C)CC1 40672671 343220894 /nfs/dbraw/zinc/22/08/94/343220894.db2.gz JYKVTEICXGGNFR-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@H+](C)C1 40672303 343220903 /nfs/dbraw/zinc/22/09/03/343220903.db2.gz NGVUXMRTXJFUGK-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@@H]1CCC[N@@H+](C)C1 40672303 343220904 /nfs/dbraw/zinc/22/09/04/343220904.db2.gz NGVUXMRTXJFUGK-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccco2)C1 40717624 343221646 /nfs/dbraw/zinc/22/16/46/343221646.db2.gz HLLDGLAWIOEWGR-UWVGGRQHSA-N 2 2 194.278 1.621 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccco2)C1 40717624 343221647 /nfs/dbraw/zinc/22/16/47/343221647.db2.gz HLLDGLAWIOEWGR-UWVGGRQHSA-N 2 2 194.278 1.621 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 40725230 343222459 /nfs/dbraw/zinc/22/24/59/343222459.db2.gz DCOIBVYGZIUIFT-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 40725230 343222460 /nfs/dbraw/zinc/22/24/60/343222460.db2.gz DCOIBVYGZIUIFT-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP Cc1nc(C[NH+](C)C)sc1[C@H](C)[NH3+] 41046547 343227062 /nfs/dbraw/zinc/22/70/62/343227062.db2.gz BTMVCXNCQLPIRM-LURJTMIESA-N 2 2 199.323 1.533 10 0 ADAELP Cc1[nH+]ccn1-c1cc[nH+]c(CO)c1 40879602 343223619 /nfs/dbraw/zinc/22/36/19/343223619.db2.gz RFIKBEKCSLQFQC-UHFFFAOYSA-N 2 2 189.218 1.068 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@H+]1CC(C)(C)[NH3+] 40925812 343224184 /nfs/dbraw/zinc/22/41/84/343224184.db2.gz TZRHPAKIJIXFMV-AOOOYVTPSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]1CCC[C@H](C)[NH+]1CC(C)(C)[NH3+] 40925815 343224384 /nfs/dbraw/zinc/22/43/84/343224384.db2.gz TZRHPAKIJIXFMV-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@H+](Cc1ccco1)[C@@H]1CCC[C@@H]1[NH3+] 40989266 343225012 /nfs/dbraw/zinc/22/50/12/343225012.db2.gz CDSNEUXOGKJYNJ-WDEREUQCSA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]1[NH3+] 40989266 343225014 /nfs/dbraw/zinc/22/50/14/343225014.db2.gz CDSNEUXOGKJYNJ-WDEREUQCSA-N 2 2 194.278 1.591 10 0 ADAELP CCc1[nH+]ccn1-c1ccc(N)[nH+]c1 42419562 343242322 /nfs/dbraw/zinc/24/23/22/343242322.db2.gz OGGZKOGSVBMGBF-UHFFFAOYSA-N 2 2 188.234 1.412 10 0 ADAELP C[N@H+](Cc1ccoc1)[C@@H]1CCC[C@@H]1[NH3+] 42448565 343243481 /nfs/dbraw/zinc/24/34/81/343243481.db2.gz RVSICRYHUBRLEL-WDEREUQCSA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccoc1)[C@@H]1CCC[C@@H]1[NH3+] 42448565 343243482 /nfs/dbraw/zinc/24/34/82/343243482.db2.gz RVSICRYHUBRLEL-WDEREUQCSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 42543722 343245690 /nfs/dbraw/zinc/24/56/90/343245690.db2.gz KDARILKINJYNQU-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 42543722 343245691 /nfs/dbraw/zinc/24/56/91/343245691.db2.gz KDARILKINJYNQU-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH3+])[C@@H](n1cc[nH+]c1)C(C)(C)C 43294788 343250870 /nfs/dbraw/zinc/25/08/70/343250870.db2.gz CNDYJNYVZSGOKQ-DTWKUNHWSA-N 2 2 181.283 1.818 10 0 ADAELP C[C@H]([NH3+])[C@H](c1ccco1)n1cc[nH+]c1 43336355 343251186 /nfs/dbraw/zinc/25/11/86/343251186.db2.gz BNOVWJCVHNRPHN-WCBMZHEXSA-N 2 2 191.234 1.413 10 0 ADAELP Cc1cc(C)cc([C@@H](C[NH3+])[NH+](C)C)c1 43393908 343252018 /nfs/dbraw/zinc/25/20/18/343252018.db2.gz SXQDHTDXXKQNRG-GFCCVEGCSA-N 2 2 192.306 1.865 10 0 ADAELP CC(C)Oc1ccccc1[C@@H]([NH3+])C[NH3+] 44472760 343266142 /nfs/dbraw/zinc/26/61/42/343266142.db2.gz MQQMWBQODQUFFD-JTQLQIEISA-N 2 2 194.278 1.432 10 0 ADAELP Cc1[nH]c2ccccc2c1[C@@H]([NH3+])C[NH3+] 44471690 343266162 /nfs/dbraw/zinc/26/61/62/343266162.db2.gz VTOGUIVCBBKPOJ-VIFPVBQESA-N 2 2 189.262 1.435 10 0 ADAELP CC(C)Oc1ccccc1[C@H]([NH3+])C[NH3+] 44472755 343266167 /nfs/dbraw/zinc/26/61/67/343266167.db2.gz MQQMWBQODQUFFD-SNVBAGLBSA-N 2 2 194.278 1.432 10 0 ADAELP Cc1cccc2c([C@@H]([NH3+])C[NH3+])c[nH]c12 44472655 343266173 /nfs/dbraw/zinc/26/61/73/343266173.db2.gz XWWUWRVFBDVKBI-JTQLQIEISA-N 2 2 189.262 1.435 10 0 ADAELP Cc1[nH]c2ccccc2c1[C@H]([NH3+])C[NH3+] 44471687 343266177 /nfs/dbraw/zinc/26/61/77/343266177.db2.gz VTOGUIVCBBKPOJ-SECBINFHSA-N 2 2 189.262 1.435 10 0 ADAELP Cc1cc(F)ccc1[C@@H]([NH3+])C[NH3+] 44470795 343266187 /nfs/dbraw/zinc/26/61/87/343266187.db2.gz RYYHUPMMRVEURF-VIFPVBQESA-N 2 2 168.215 1.093 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CCCC[C@@H]1C 44380212 343264665 /nfs/dbraw/zinc/26/46/65/343264665.db2.gz KFZOXFNIOVRWCA-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCC[NH2+]CC[N@H+]1CCCC[C@@H]1C 44380212 343264667 /nfs/dbraw/zinc/26/46/67/343264667.db2.gz KFZOXFNIOVRWCA-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 44390175 343264741 /nfs/dbraw/zinc/26/47/41/343264741.db2.gz GBTHFTLIPFKVTG-MNOVXSKESA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 44390175 343264742 /nfs/dbraw/zinc/26/47/42/343264742.db2.gz GBTHFTLIPFKVTG-MNOVXSKESA-N 2 2 184.327 1.572 10 0 ADAELP Cc1[nH]c2c(C[NH3+])cccc2[nH+]1 45820800 343272408 /nfs/dbraw/zinc/27/24/08/343272408.db2.gz CJIVLESSWFLOGG-UHFFFAOYSA-N 2 2 161.208 1.330 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC(N)=[NH2+])[C@@H]1C 50565058 343284334 /nfs/dbraw/zinc/28/43/34/343284334.db2.gz GNAPZVZQSOTQBR-HTQZYQBOSA-N 2 2 169.272 1.043 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1C 50564321 343284377 /nfs/dbraw/zinc/28/43/77/343284377.db2.gz MFJFDBSYTJHYAV-HBNTYKKESA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C 50564321 343284378 /nfs/dbraw/zinc/28/43/78/343284378.db2.gz MFJFDBSYTJHYAV-HBNTYKKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCC[C@H](C)[C@@H]1C 50564250 343284432 /nfs/dbraw/zinc/28/44/32/343284432.db2.gz DFBMHIIQBIKOFB-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1Cc2ccccc2C1 50910803 343286579 /nfs/dbraw/zinc/28/65/79/343286579.db2.gz MJJGPJULQVDQPR-GFCCVEGCSA-N 2 2 190.290 1.740 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1Cc2ccccc2C1 50910812 343286731 /nfs/dbraw/zinc/28/67/31/343286731.db2.gz UPEPMMUMXQYDIW-UWVGGRQHSA-N 2 2 190.290 1.738 10 0 ADAELP C[C@H]1CCCN1c1cc[nH+]c(C[NH3+])c1 51396085 343290061 /nfs/dbraw/zinc/29/00/61/343290061.db2.gz RDLKZWHZYWNQCJ-VIFPVBQESA-N 2 2 191.278 1.529 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C1 51783138 343293251 /nfs/dbraw/zinc/29/32/51/343293251.db2.gz RFNGOJBXEZMVJI-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C1 51783138 343293253 /nfs/dbraw/zinc/29/32/53/343293253.db2.gz RFNGOJBXEZMVJI-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP Cc1ccc[nH+]c1N[C@H]1CC[N@@H+](C)C1 51041068 343288251 /nfs/dbraw/zinc/28/82/51/343288251.db2.gz MXTMHMFWQWWWEE-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP Cc1ccc[nH+]c1N[C@H]1CC[N@H+](C)C1 51041068 343288253 /nfs/dbraw/zinc/28/82/53/343288253.db2.gz MXTMHMFWQWWWEE-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1C[NH+]2CCC1CC2 52272745 343303361 /nfs/dbraw/zinc/30/33/61/343303361.db2.gz KYWKQUCVCZXYGL-DVVUODLYSA-N 2 2 180.295 1.079 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 52417385 343306256 /nfs/dbraw/zinc/30/62/56/343306256.db2.gz IPQISPMNHQKILX-NSHDSACASA-N 2 2 192.306 1.726 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 52417385 343306257 /nfs/dbraw/zinc/30/62/57/343306257.db2.gz IPQISPMNHQKILX-NSHDSACASA-N 2 2 192.306 1.726 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 52417386 343306277 /nfs/dbraw/zinc/30/62/77/343306277.db2.gz IPQISPMNHQKILX-LLVKDONJSA-N 2 2 192.306 1.726 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 52417386 343306278 /nfs/dbraw/zinc/30/62/78/343306278.db2.gz IPQISPMNHQKILX-LLVKDONJSA-N 2 2 192.306 1.726 10 0 ADAELP Cc1cc(Cn2cc[nH+]c2)oc1C[NH3+] 52575435 343306644 /nfs/dbraw/zinc/30/66/44/343306644.db2.gz AUTBSJXZUWCAPA-UHFFFAOYSA-N 2 2 191.234 1.292 10 0 ADAELP CC(C)[C@@H](C[NH3+])n1cc[nH+]c1 52575431 343306674 /nfs/dbraw/zinc/30/66/74/343306674.db2.gz XFKLJYSYWPYSLJ-MRVPVSSYSA-N 2 2 153.229 1.039 10 0 ADAELP CC(C)[C@H](C[NH3+])n1cc[nH+]c1 52575432 343306627 /nfs/dbraw/zinc/30/66/27/343306627.db2.gz XFKLJYSYWPYSLJ-QMMMGPOBSA-N 2 2 153.229 1.039 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)C 53649677 343314877 /nfs/dbraw/zinc/31/48/77/343314877.db2.gz JQYVHHKHUSLJAP-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)C 53649677 343314878 /nfs/dbraw/zinc/31/48/78/343314878.db2.gz JQYVHHKHUSLJAP-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C 54243931 343320957 /nfs/dbraw/zinc/32/09/57/343320957.db2.gz RYVXOBSTCCDJOX-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C 54243931 343320959 /nfs/dbraw/zinc/32/09/59/343320959.db2.gz RYVXOBSTCCDJOX-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+](C1CC1)[C@H]1CCCC[NH2+]C1 54134976 343317885 /nfs/dbraw/zinc/31/78/85/343317885.db2.gz QDEMEGFTAYCRED-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H]2CCCC[NH2+]C2)C1 54134844 343317999 /nfs/dbraw/zinc/31/79/99/343317999.db2.gz LHABYFXLARSQEF-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 54134844 343318000 /nfs/dbraw/zinc/31/80/00/343318000.db2.gz LHABYFXLARSQEF-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](c1ccco1)[N@@H+]1CC[C@H]([NH3+])C1 54106738 343318038 /nfs/dbraw/zinc/31/80/38/343318038.db2.gz GLGRQKYHEYRGHX-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP CC[C@@H](c1ccco1)[N@H+]1CC[C@H]([NH3+])C1 54106738 343318039 /nfs/dbraw/zinc/31/80/39/343318039.db2.gz GLGRQKYHEYRGHX-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H]1CCCC[N@H+]1[C@@H](C)C(N)=[NH2+] 59184367 343342419 /nfs/dbraw/zinc/34/24/19/343342419.db2.gz XXRBDYAAWLMAAC-YUMQZZPRSA-N 2 2 169.272 1.185 10 0 ADAELP C[C@H]1CC[C@H](C)[NH+]1CC(C)(C)[NH3+] 59569582 343345770 /nfs/dbraw/zinc/34/57/70/343345770.db2.gz GNKLIOFNPOFENA-IUCAKERBSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@H+](CC1CCC1)[C@H]1CCCC[NH2+]C1 61486474 343356626 /nfs/dbraw/zinc/35/66/26/343356626.db2.gz YCWVDUNEMMIQOG-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+](CC1CCC1)[C@H]1CCCC[NH2+]C1 61486474 343356627 /nfs/dbraw/zinc/35/66/27/343356627.db2.gz YCWVDUNEMMIQOG-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+](CC1CCC1)[C@@H]1CCCC[C@@H]1[NH3+] 61456493 343356635 /nfs/dbraw/zinc/35/66/35/343356635.db2.gz IMDXEKJUSWULOF-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CCC1)[C@@H]1CCCC[C@@H]1[NH3+] 61456493 343356636 /nfs/dbraw/zinc/35/66/36/343356636.db2.gz IMDXEKJUSWULOF-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1CCC(C)(C)CC1 61819474 343364664 /nfs/dbraw/zinc/36/46/64/343364664.db2.gz JILJVENCLCLHME-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP CCCC[N@@H+]1CCC[NH2+]C(C)(C)C1 62567179 343375983 /nfs/dbraw/zinc/37/59/83/343375983.db2.gz OERBLKUJFUHRMO-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[N@H+]1CCC[NH2+]C(C)(C)C1 62567179 343375985 /nfs/dbraw/zinc/37/59/85/343375985.db2.gz OERBLKUJFUHRMO-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CC(C)[C@@H]1C[N@@H+](C(C)C)CCC[NH2+]1 62567187 343376070 /nfs/dbraw/zinc/37/60/70/343376070.db2.gz JQLOXALVNUOTSZ-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H]1C[N@H+](C(C)C)CCC[NH2+]1 62567187 343376072 /nfs/dbraw/zinc/37/60/72/343376072.db2.gz JQLOXALVNUOTSZ-NSHDSACASA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1C[NH2+]CCC[N@H+]1C1CCCC1 62566923 343376212 /nfs/dbraw/zinc/37/62/12/343376212.db2.gz ZBJDIQSHADRVPS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC1(C)CC[NH+]([C@H](C)C(N)=[NH2+])CC1 62954341 343388127 /nfs/dbraw/zinc/38/81/27/343388127.db2.gz YWOCERGQAGZEGD-SECBINFHSA-N 2 2 197.326 1.823 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCCC1(C)C 63066795 343399628 /nfs/dbraw/zinc/39/96/28/343399628.db2.gz MPPOSAAOYQWTGA-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCCC1(C)C 63066795 343399629 /nfs/dbraw/zinc/39/96/29/343399629.db2.gz MPPOSAAOYQWTGA-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC1(C)C 63066946 343399634 /nfs/dbraw/zinc/39/96/34/343399634.db2.gz NKLKVJNILKLKHZ-IUCAKERBSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCC1(C)C 63066946 343399636 /nfs/dbraw/zinc/39/96/36/343399636.db2.gz NKLKVJNILKLKHZ-IUCAKERBSA-N 2 2 170.300 1.597 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1CCCC1(C)C 63066879 343399818 /nfs/dbraw/zinc/39/98/18/343399818.db2.gz CWNNHCWHJMGACG-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP Cc1cc(N[C@@H]2CCC[C@@H]2[NH3+])nc[nH+]1 63176492 343404836 /nfs/dbraw/zinc/40/48/36/343404836.db2.gz MEXNRBWUFVLXSI-DTWKUNHWSA-N 2 2 192.266 1.077 10 0 ADAELP Cc1cccc(N[C@H]2CCC[C@H]2[NH3+])[nH+]1 63176948 343404846 /nfs/dbraw/zinc/40/48/46/343404846.db2.gz MHMFYKHFFFZZCJ-ZJUUUORDSA-N 2 2 191.278 1.682 10 0 ADAELP Cc1cccc(N[C@@H]2CCC[C@@H]2[NH3+])[nH+]1 63176944 343404856 /nfs/dbraw/zinc/40/48/56/343404856.db2.gz MHMFYKHFFFZZCJ-VHSXEESVSA-N 2 2 191.278 1.682 10 0 ADAELP Cc1cc(N[C@H]2CCC[C@@H]2[NH3+])nc[nH+]1 63176494 343404875 /nfs/dbraw/zinc/40/48/75/343404875.db2.gz MEXNRBWUFVLXSI-IUCAKERBSA-N 2 2 192.266 1.077 10 0 ADAELP Cc1cccc(N[C@H]2CCC[C@@H]2[NH3+])[nH+]1 63176945 343404886 /nfs/dbraw/zinc/40/48/86/343404886.db2.gz MHMFYKHFFFZZCJ-UWVGGRQHSA-N 2 2 191.278 1.682 10 0 ADAELP Cc1cc(N[C@@H]2CCC[C@H]2[NH3+])nc[nH+]1 63176495 343404888 /nfs/dbraw/zinc/40/48/88/343404888.db2.gz MEXNRBWUFVLXSI-RKDXNWHRSA-N 2 2 192.266 1.077 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 68997045 343420244 /nfs/dbraw/zinc/42/02/44/343420244.db2.gz AYSIIXLCIIYDRG-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]1CCCC[NH2+]1 69029993 343422836 /nfs/dbraw/zinc/42/28/36/343422836.db2.gz ZDZIOFUWYQZYAU-VIFPVBQESA-N 2 2 179.267 1.105 10 0 ADAELP Cn1cc[nH+]c1[C@@H]1CCCC[C@H]1[NH3+] 69030196 343422841 /nfs/dbraw/zinc/42/28/41/343422841.db2.gz VASWUWGSZNFMOU-RKDXNWHRSA-N 2 2 179.267 1.405 10 0 ADAELP CCCn1cc[nH+]c1[C@@H]1CCC[C@H]1[NH3+] 69048628 343423630 /nfs/dbraw/zinc/42/36/30/343423630.db2.gz WULAXUASFGDEGN-NXEZZACHSA-N 2 2 193.294 1.888 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@H]1c1[nH+]ccn1C 69030327 343423632 /nfs/dbraw/zinc/42/36/32/343423632.db2.gz XFJLLTWJZIILHJ-NXEZZACHSA-N 2 2 193.294 1.666 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CCCC[C@@H]1[NH3+] 69048621 343423635 /nfs/dbraw/zinc/42/36/35/343423635.db2.gz NSIDTQQCCMLCRT-ZJUUUORDSA-N 2 2 193.294 1.888 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@@H]1c1[nH+]ccn1C 69030248 343423641 /nfs/dbraw/zinc/42/36/41/343423641.db2.gz RMSIKPIXJJQXGS-VHSXEESVSA-N 2 2 193.294 1.666 10 0 ADAELP [NH3+][C@@H](C[NH+]1CCCCCC1)C1CC1 68893560 343413740 /nfs/dbraw/zinc/41/37/40/343413740.db2.gz ZFDKBLKKBYOVMK-NSHDSACASA-N 2 2 182.311 1.600 10 0 ADAELP [NH3+][C@H](C[NH+]1CCCCCC1)C1CC1 68893562 343414010 /nfs/dbraw/zinc/41/40/10/343414010.db2.gz ZFDKBLKKBYOVMK-LLVKDONJSA-N 2 2 182.311 1.600 10 0 ADAELP CCC(CC)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718206 343435604 /nfs/dbraw/zinc/43/56/04/343435604.db2.gz NMERVZMPAONJQW-MWLCHTKSSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718250 343435672 /nfs/dbraw/zinc/43/56/72/343435672.db2.gz NYSCOXZPIXIVIL-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718250 343435674 /nfs/dbraw/zinc/43/56/74/343435674.db2.gz NYSCOXZPIXIVIL-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CC[N@H+](C2CCCC2)C[C@@H]1[NH3+] 69718490 343436004 /nfs/dbraw/zinc/43/60/04/343436004.db2.gz AJCPDNNDSBRXEC-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP C/C=C/C[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69720200 343436219 /nfs/dbraw/zinc/43/62/19/343436219.db2.gz LUIUAWPERIQUOM-FCVPOFOPSA-N 2 2 168.284 1.232 10 0 ADAELP C/C=C/C[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69720200 343436220 /nfs/dbraw/zinc/43/62/20/343436220.db2.gz LUIUAWPERIQUOM-FCVPOFOPSA-N 2 2 168.284 1.232 10 0 ADAELP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 69719856 343436554 /nfs/dbraw/zinc/43/65/54/343436554.db2.gz GMZKZIUTKTVIFL-MNOVXSKESA-N 2 2 182.311 1.622 10 0 ADAELP Nc1cc[nH+]cc1[C@H]([NH3+])c1ccco1 69845623 343447487 /nfs/dbraw/zinc/44/74/87/343447487.db2.gz HRZIQSUKYVZWAK-JTQLQIEISA-N 2 2 189.218 1.305 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccco1 69800018 343443224 /nfs/dbraw/zinc/44/32/24/343443224.db2.gz HMBVOXRMCRTELK-MWLCHTKSSA-N 2 2 194.278 1.762 10 0 ADAELP CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccco1 69799905 343443336 /nfs/dbraw/zinc/44/33/36/343443336.db2.gz GMGWKFAOPQGENM-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP CCC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccco1 69799905 343443338 /nfs/dbraw/zinc/44/33/38/343443338.db2.gz GMGWKFAOPQGENM-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP Cc1ccsc1[C@@H]1[C@@H]([NH3+])CC[N@H+]1C 69798950 343443372 /nfs/dbraw/zinc/44/33/72/343443372.db2.gz STRYOROPSVJNFZ-IUCAKERBSA-N 2 2 196.319 1.760 10 0 ADAELP C[N@H+](CC1CCCC1)[C@H]1CCC[C@@H]1[NH3+] 70073153 343473704 /nfs/dbraw/zinc/47/37/04/343473704.db2.gz ONCADEZUKRAETO-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CCCC1)[C@H]1CCC[C@@H]1[NH3+] 70073153 343473705 /nfs/dbraw/zinc/47/37/05/343473705.db2.gz ONCADEZUKRAETO-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 70585562 343497028 /nfs/dbraw/zinc/49/70/28/343497028.db2.gz DYPHALYSLNPKGP-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584692 343497157 /nfs/dbraw/zinc/49/71/57/343497157.db2.gz GQVABTSUKIANBL-SNVBAGLBSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 70584692 343497158 /nfs/dbraw/zinc/49/71/58/343497158.db2.gz GQVABTSUKIANBL-SNVBAGLBSA-N 2 2 182.311 1.611 10 0 ADAELP C1CC([N@@H+]2CC[C@@H]([NH2+]C3CC3)C2)C1 70585400 343497198 /nfs/dbraw/zinc/49/71/98/343497198.db2.gz PIXWGTVWVAGVPG-SNVBAGLBSA-N 2 2 180.295 1.365 10 0 ADAELP C1CC([N@H+]2CC[C@@H]([NH2+]C3CC3)C2)C1 70585400 343497200 /nfs/dbraw/zinc/49/72/00/343497200.db2.gz PIXWGTVWVAGVPG-SNVBAGLBSA-N 2 2 180.295 1.365 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CC2(C)C)C1 70585878 343497299 /nfs/dbraw/zinc/49/72/99/343497299.db2.gz ZVHNCNPJGIHKNF-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@H+]([C@@H]2CC2(C)C)C1 70585878 343497301 /nfs/dbraw/zinc/49/73/01/343497301.db2.gz ZVHNCNPJGIHKNF-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+](C[C@@]1(C)CCC[NH2+]1)C1CC1 70619569 343504762 /nfs/dbraw/zinc/50/47/62/343504762.db2.gz MHSRSAKQVWCRGD-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP Cn1cc[nH+]c1-c1csc(C[NH3+])c1 70601160 343501344 /nfs/dbraw/zinc/50/13/44/343501344.db2.gz OGCVFCZLIPXPKI-UHFFFAOYSA-N 2 2 193.275 1.607 10 0 ADAELP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 70643636 343514982 /nfs/dbraw/zinc/51/49/82/343514982.db2.gz ZROJMAIEYVZPTQ-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 70644824 343516218 /nfs/dbraw/zinc/51/62/18/343516218.db2.gz PJTLHROOVHWUNR-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CC[C@@H]([N@H+]2CCC[NH2+]CC2)C1 70644824 343516219 /nfs/dbraw/zinc/51/62/19/343516219.db2.gz PJTLHROOVHWUNR-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 70644828 343516251 /nfs/dbraw/zinc/51/62/51/343516251.db2.gz LRBHUYCNIDZSGW-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CC[C@@H]([N@H+]2CCC[NH2+]CC2)C1 70644828 343516252 /nfs/dbraw/zinc/51/62/52/343516252.db2.gz LRBHUYCNIDZSGW-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cc[nH+]cc1N1CCC([NH3+])CC1 70958752 343544897 /nfs/dbraw/zinc/54/48/97/343544897.db2.gz MKRPNCBPBRZNQY-UHFFFAOYSA-N 2 2 191.278 1.318 10 0 ADAELP Cc1cc[nH+]cc1N[C@H]1CC[N@@H+](C)C1 70958631 343544907 /nfs/dbraw/zinc/54/49/07/343544907.db2.gz DOZNSEDLUCTJTL-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cc[nH+]cc1N[C@H]1CC[N@H+](C)C1 70958631 343544908 /nfs/dbraw/zinc/54/49/08/343544908.db2.gz DOZNSEDLUCTJTL-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cc[nH+]cc1N1CCC[NH2+]CC1 70959381 343544957 /nfs/dbraw/zinc/54/49/57/343544957.db2.gz SHNKFYONIARUHI-UHFFFAOYSA-N 2 2 191.278 1.190 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@@H+](C)C1 70958630 343544963 /nfs/dbraw/zinc/54/49/63/343544963.db2.gz DOZNSEDLUCTJTL-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H]1CC[N@H+](C)C1 70958630 343544964 /nfs/dbraw/zinc/54/49/64/343544964.db2.gz DOZNSEDLUCTJTL-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[NH3+])c(F)c1F 72200272 343561544 /nfs/dbraw/zinc/56/15/44/343561544.db2.gz IXIFXHIONFMHJE-ZETCQYMHSA-N 2 2 186.205 1.232 10 0 ADAELP CC[C@@H]([NH3+])c1ccc2[nH+]ccn2c1 74308529 343572098 /nfs/dbraw/zinc/57/20/98/343572098.db2.gz MSQCSYSCYSDWTN-SECBINFHSA-N 2 2 175.235 1.744 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@H+]1CCC[NH2+]CC1 76581744 343579372 /nfs/dbraw/zinc/57/93/72/343579372.db2.gz INXHJPKVQPQSJN-SNVBAGLBSA-N 2 2 193.294 1.371 10 0 ADAELP Cc1cn(CCC2CC[NH2+]CC2)c[nH+]1 82655744 343609232 /nfs/dbraw/zinc/60/92/32/343609232.db2.gz DKKBAYBCPAIUCQ-UHFFFAOYSA-N 2 2 193.294 1.581 10 0 ADAELP Cc1[nH+]ccn1Cc1cccc(N)[nH+]1 83824617 343625056 /nfs/dbraw/zinc/62/50/56/343625056.db2.gz USHWQGIGEYNIFL-UHFFFAOYSA-N 2 2 188.234 1.217 10 0 ADAELP Cc1cc(C)c(N2CC[NH2+]CC2)c[nH+]1 84453144 343637496 /nfs/dbraw/zinc/63/74/96/343637496.db2.gz NPSXAGQUEOFZCZ-UHFFFAOYSA-N 2 2 191.278 1.108 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccn1 84352242 343634707 /nfs/dbraw/zinc/63/47/07/343634707.db2.gz LYSTYLIAFHOTRW-ONGXEEELSA-N 2 2 191.278 1.003 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccn1 84352242 343634708 /nfs/dbraw/zinc/63/47/08/343634708.db2.gz LYSTYLIAFHOTRW-ONGXEEELSA-N 2 2 191.278 1.003 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccs1 84360153 343635155 /nfs/dbraw/zinc/63/51/55/343635155.db2.gz JJYYDIZJMZAMHG-PSASIEDQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccs1 84360153 343635156 /nfs/dbraw/zinc/63/51/56/343635156.db2.gz JJYYDIZJMZAMHG-PSASIEDQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccs1 84360159 343635169 /nfs/dbraw/zinc/63/51/69/343635169.db2.gz JJYYDIZJMZAMHG-SCZZXKLOSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccs1 84360159 343635170 /nfs/dbraw/zinc/63/51/70/343635170.db2.gz JJYYDIZJMZAMHG-SCZZXKLOSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc[nH]1 95068348 343679143 /nfs/dbraw/zinc/67/91/43/343679143.db2.gz MMSSIMBWAXIXSQ-UWVGGRQHSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@H](c1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 95068263 343678502 /nfs/dbraw/zinc/67/85/02/343678502.db2.gz LVWBBENZTBLSGY-RKDXNWHRSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H](n2cc[nH+]c2)C1 98018177 343704789 /nfs/dbraw/zinc/70/47/89/343704789.db2.gz NDNCNVTYUHPCHH-BDAKNGLRSA-N 2 2 165.240 1.054 10 0 ADAELP CCCc1[nH]c2c([nH+]1)CCC[C@H]2[NH3+] 126923229 343800494 /nfs/dbraw/zinc/80/04/94/343800494.db2.gz RBKKZXRGEPSATJ-SSDOTTSWSA-N 2 2 179.267 1.698 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])CC(F)(F)F 127653064 343816490 /nfs/dbraw/zinc/81/64/90/343816490.db2.gz OXCBWGPWNSSNMB-YFKPBYRVSA-N 2 2 193.172 1.372 10 0 ADAELP CCCC1C[NH+]([C@H]2CCC[NH2+][C@@H]2C)C1 129559609 343852930 /nfs/dbraw/zinc/85/29/30/343852930.db2.gz SNJRKPMDPHBPRM-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CCCC1C[NH+]([C@@H]2CCC[NH2+][C@@H]2C)C1 129559390 343853133 /nfs/dbraw/zinc/85/31/33/343853133.db2.gz SNJRKPMDPHBPRM-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CCCC1C[NH+]([C@H]2CCC[NH2+][C@H]2C)C1 129560059 343853136 /nfs/dbraw/zinc/85/31/36/343853136.db2.gz SNJRKPMDPHBPRM-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+][C@@H]1C 129560470 343853163 /nfs/dbraw/zinc/85/31/63/343853163.db2.gz UTIIDGYZMTXFIQ-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+][C@@H]1C 129560470 343853164 /nfs/dbraw/zinc/85/31/64/343853164.db2.gz UTIIDGYZMTXFIQ-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C 128873481 343839462 /nfs/dbraw/zinc/83/94/62/343839462.db2.gz LGFHQXJQESKPEK-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](Cc2ccoc2)C1 130862513 343876223 /nfs/dbraw/zinc/87/62/23/343876223.db2.gz DMRQQWSCVRWEMM-JTQLQIEISA-N 2 2 194.278 1.321 10 0 ADAELP C[C@@H]1C[NH+]([C@H]2C[NH2+]C(C)(C)C2)C[C@H]1C 131831924 343889463 /nfs/dbraw/zinc/88/94/63/343889463.db2.gz WJVUKNJGXHFZDX-GMTAPVOTSA-N 2 2 196.338 1.715 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])Cc1ccoc1 131850997 343889874 /nfs/dbraw/zinc/88/98/74/343889874.db2.gz ICHNKQZCGSOMIH-VIFPVBQESA-N 2 2 191.234 1.256 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])Cc1ccco1 131851187 343889880 /nfs/dbraw/zinc/88/98/80/343889880.db2.gz DOOSSHYHYKUGKG-SECBINFHSA-N 2 2 191.234 1.256 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1Oc1cc[nH+]cc1 131616245 343887026 /nfs/dbraw/zinc/88/70/26/343887026.db2.gz AWSYYKSSFACARF-NXEZZACHSA-N 2 2 178.235 1.340 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1Oc1cc[nH+]cc1 131615871 343887033 /nfs/dbraw/zinc/88/70/33/343887033.db2.gz AWSYYKSSFACARF-VHSXEESVSA-N 2 2 178.235 1.340 10 0 ADAELP C(=C1CC[NH2+]CC1)c1c[nH]c[nH+]1 16613 166045263 /nfs/dbraw/zinc/04/52/63/166045263.db2.gz JMLMXWQMJKUERA-UHFFFAOYSA-N 2 2 163.224 1.177 10 0 ADAELP C(C[N@@H+]1C[C@H]2CC[C@@H]1C2)[NH2+]C1CC1 49716592 166046642 /nfs/dbraw/zinc/04/66/42/166046642.db2.gz YPQWLMZWEGGQRV-GXSJLCMTSA-N 2 2 180.295 1.223 10 0 ADAELP C(C[N@H+]1C[C@H]2CC[C@@H]1C2)[NH2+]C1CC1 49716592 166046645 /nfs/dbraw/zinc/04/66/45/166046645.db2.gz YPQWLMZWEGGQRV-GXSJLCMTSA-N 2 2 180.295 1.223 10 0 ADAELP C(C[N@@H+]1C[C@H]2CC[C@@H]1C2)[NH2+]CC1CC1 49717027 166047199 /nfs/dbraw/zinc/04/71/99/166047199.db2.gz JALXVZGTAPPFJE-NWDGAFQWSA-N 2 2 194.322 1.470 10 0 ADAELP C(C[N@H+]1C[C@H]2CC[C@@H]1C2)[NH2+]CC1CC1 49717027 166047200 /nfs/dbraw/zinc/04/72/00/166047200.db2.gz JALXVZGTAPPFJE-NWDGAFQWSA-N 2 2 194.322 1.470 10 0 ADAELP C/C=C/C[N@@H+]1CCCC[C@H]1C[NH3+] 44557467 166063004 /nfs/dbraw/zinc/06/30/04/166063004.db2.gz MAEMEHAYICIRRZ-PBKGFPTLSA-N 2 2 168.284 1.376 10 0 ADAELP C/C=C/C[N@H+]1CCCC[C@H]1C[NH3+] 44557467 166063005 /nfs/dbraw/zinc/06/30/05/166063005.db2.gz MAEMEHAYICIRRZ-PBKGFPTLSA-N 2 2 168.284 1.376 10 0 ADAELP C/C=C/C[N@@H+]1CCCC[C@@H]1C[NH3+] 44557464 166063077 /nfs/dbraw/zinc/06/30/77/166063077.db2.gz MAEMEHAYICIRRZ-VMZHVLLKSA-N 2 2 168.284 1.376 10 0 ADAELP C/C=C/C[N@H+]1CCCC[C@@H]1C[NH3+] 44557464 166063078 /nfs/dbraw/zinc/06/30/78/166063078.db2.gz MAEMEHAYICIRRZ-VMZHVLLKSA-N 2 2 168.284 1.376 10 0 ADAELP C/C=C/C[N@H+]1CCC[C@H]([NH2+]C)C1 53203239 166063562 /nfs/dbraw/zinc/06/35/62/166063562.db2.gz GDNVVFGKOASIOH-FSIBCCDJSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C/C[N@@H+]1CCC[C@H]([NH2+]C)C1 53203239 166063563 /nfs/dbraw/zinc/06/35/63/166063563.db2.gz GDNVVFGKOASIOH-FSIBCCDJSA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C/C[N@H+]1CCC[C@@H]([NH2+]C)C1 53203240 166064149 /nfs/dbraw/zinc/06/41/49/166064149.db2.gz GDNVVFGKOASIOH-HMDXOVGESA-N 2 2 168.284 1.246 10 0 ADAELP C/C=C/C[N@@H+]1CCC[C@@H]([NH2+]C)C1 53203240 166064153 /nfs/dbraw/zinc/06/41/53/166064153.db2.gz GDNVVFGKOASIOH-HMDXOVGESA-N 2 2 168.284 1.246 10 0 ADAELP C1=C(C[NH2+][C@@H]2CC[NH2+]C2)CCCC1 307037624 166071218 /nfs/dbraw/zinc/07/12/18/166071218.db2.gz ZKNNLNPTMFWGAU-LLVKDONJSA-N 2 2 180.295 1.438 10 0 ADAELP C1=C(C[NH2+][C@H]2CC[NH2+]C2)CCCC1 307037625 166071718 /nfs/dbraw/zinc/07/17/18/166071718.db2.gz ZKNNLNPTMFWGAU-NSHDSACASA-N 2 2 180.295 1.438 10 0 ADAELP C1=CC[N@H+](C[C@@H]2CCC[NH2+]2)CC1 39082226 166075600 /nfs/dbraw/zinc/07/56/00/166075600.db2.gz SLTFSPTWQNWBJL-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP C1=CC[N@@H+](C[C@@H]2CCC[NH2+]2)CC1 39082226 166075605 /nfs/dbraw/zinc/07/56/05/166075605.db2.gz SLTFSPTWQNWBJL-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP C1=CN2C=C[NH+]=CC2=C[NH+]=C1 39079445 166075967 /nfs/dbraw/zinc/07/59/67/166075967.db2.gz TZVGQHQSXNKBMK-UHFFFAOYSA-N 2 2 145.165 1.284 10 0 ADAELP C1=[NH+]C[C@H]2[NH2+]CCC[C@H]2CC1 196496570 166080802 /nfs/dbraw/zinc/08/08/02/166080802.db2.gz DJWYQNWRMVIQIX-RKDXNWHRSA-N 2 2 152.241 1.219 10 0 ADAELP C1=[NH+]C[C@@H]2[NH2+]CCC[C@@H]2CC1 196496548 166081084 /nfs/dbraw/zinc/08/10/84/166081084.db2.gz DJWYQNWRMVIQIX-IUCAKERBSA-N 2 2 152.241 1.219 10 0 ADAELP C1=[NH+]C[C@H]2[NH2+]CCC[C@@H]2CC1 196496564 166081256 /nfs/dbraw/zinc/08/12/56/166081256.db2.gz DJWYQNWRMVIQIX-DTWKUNHWSA-N 2 2 152.241 1.219 10 0 ADAELP C1CC(C[NH2+][C@@H]2C[NH+]3CCC2CC3)C1 37179370 166083013 /nfs/dbraw/zinc/08/30/13/166083013.db2.gz 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/nfs/dbraw/zinc/38/62/25/166386225.db2.gz VCIZQOHOIPAJLR-UHFFFAOYSA-N 2 2 153.229 1.166 10 0 ADAELP CC(C)(C)c1ccccc1[C@H]([NH3+])C[NH3+] 72200369 166387312 /nfs/dbraw/zinc/38/73/12/166387312.db2.gz AJWIDFGKRMDJJB-LLVKDONJSA-N 2 2 192.306 1.943 10 0 ADAELP CC(C)(C)c1ccccc1[C@@H]([NH3+])C[NH3+] 72200370 166387362 /nfs/dbraw/zinc/38/73/62/166387362.db2.gz AJWIDFGKRMDJJB-NSHDSACASA-N 2 2 192.306 1.943 10 0 ADAELP CC(C)(C)c1cn(CC[NH3+])c[nH+]1 82655512 166387699 /nfs/dbraw/zinc/38/76/99/166387699.db2.gz HWHASXDIYVSOKC-UHFFFAOYSA-N 2 2 167.256 1.139 10 0 ADAELP CC(C)(C)c1[nH]c(CC[NH3+])c[nH+]1 29415759 166387765 /nfs/dbraw/zinc/38/77/65/166387765.db2.gz LQJAJMSWJURYFV-UHFFFAOYSA-N 2 2 167.256 1.208 10 0 ADAELP CC(C)(C)c1[nH]cc(CC[NH3+])[nH+]1 29415759 166387768 /nfs/dbraw/zinc/38/77/68/166387768.db2.gz LQJAJMSWJURYFV-UHFFFAOYSA-N 2 2 167.256 1.208 10 0 ADAELP CC(C)(C)n1cc[nH+]c1CC[NH3+] 75845497 166392810 /nfs/dbraw/zinc/39/28/10/166392810.db2.gz SNVPTNUEQXUPGP-UHFFFAOYSA-N 2 2 167.256 1.139 10 0 ADAELP CC(C)(C)n1c[nH+]c(CC[NH3+])c1 12650657 166392948 /nfs/dbraw/zinc/39/29/48/166392948.db2.gz IISSRSJOLJIRCT-UHFFFAOYSA-N 2 2 167.256 1.139 10 0 ADAELP CC(C)(C[NH3+])[NH+]1Cc2ccccc2C1 50910694 166393900 /nfs/dbraw/zinc/39/39/00/166393900.db2.gz NGBAZQOBTRJFKZ-UHFFFAOYSA-N 2 2 190.290 1.740 10 0 ADAELP CC(C)(C[NH3+])c1ccc2[nH]c[nH+]c2c1 82588306 166397103 /nfs/dbraw/zinc/39/71/03/166397103.db2.gz KIJUTPXLBOMVRT-UHFFFAOYSA-N 2 2 189.262 1.799 10 0 ADAELP CC(C)C1([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 306830315 166430274 /nfs/dbraw/zinc/43/02/74/166430274.db2.gz LBAGCCIRGWBHJI-MNOVXSKESA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)C1([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 306830315 166430277 /nfs/dbraw/zinc/43/02/77/166430277.db2.gz LBAGCCIRGWBHJI-MNOVXSKESA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)CC[NH2+]CCc1c[nH]c[nH+]1 83340661 166444270 /nfs/dbraw/zinc/44/42/70/166444270.db2.gz JFRHTHPONHYTAQ-UHFFFAOYSA-N 2 2 181.283 1.588 10 0 ADAELP CC(C)CC[NH2+]CCc1c[nH+]c[nH]1 83340661 166444273 /nfs/dbraw/zinc/44/42/73/166444273.db2.gz JFRHTHPONHYTAQ-UHFFFAOYSA-N 2 2 181.283 1.588 10 0 ADAELP CC(C)[NH2+]CC[NH2+]Cc1ccncc1 49474988 166540909 /nfs/dbraw/zinc/54/09/09/166540909.db2.gz GACLXCKNLGWULJ-UHFFFAOYSA-N 2 2 193.294 1.169 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccccc1 50270915 166545003 /nfs/dbraw/zinc/54/50/03/166545003.db2.gz JVNSMNSURRNHGI-NSHDSACASA-N 2 2 178.279 1.684 10 0 ADAELP CC(C)[C@H](C)[NH2+]CCc1[nH+]ccn1C 40638731 166600318 /nfs/dbraw/zinc/60/03/18/166600318.db2.gz QVSXHLFAGSFCKL-JTQLQIEISA-N 2 2 195.310 1.597 10 0 ADAELP CC(C)c1c[nH]c(CC[NH3+])[nH+]1 36876341 166627155 /nfs/dbraw/zinc/62/71/55/166627155.db2.gz LMGLBBRKGKLTGO-UHFFFAOYSA-N 2 2 153.229 1.034 10 0 ADAELP CC(C)c1[nH+]c(CC[NH3+])cn1C 20439150 166639355 /nfs/dbraw/zinc/63/93/55/166639355.db2.gz WARFRZLPCUUQJB-UHFFFAOYSA-N 2 2 167.256 1.045 10 0 ADAELP CC(C)c1[nH+]ccn1[C@H]1CC[NH2+]C1 51783692 166644511 /nfs/dbraw/zinc/64/45/11/166644511.db2.gz JTBLWAZZMAGDDB-VIFPVBQESA-N 2 2 179.267 1.541 10 0 ADAELP CC1(C)CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 61819647 166674590 /nfs/dbraw/zinc/67/45/90/166674590.db2.gz YTENYZNFVCMOFG-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP CC1CC[NH+](C[C@@](C)([NH3+])C2CC2)CC1 37479119 166749294 /nfs/dbraw/zinc/74/92/94/166749294.db2.gz VPUMEUCTCBUWIW-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP CCC(C)(C)[NH2+]CC[NH+](C)C 22962072 166784301 /nfs/dbraw/zinc/78/43/01/166784301.db2.gz ZYCSUEPPBPGPGV-UHFFFAOYSA-N 2 2 158.289 1.326 10 0 ADAELP CCC1CC[NH+](CC[NH2+]C)CC1 42447283 166812124 /nfs/dbraw/zinc/81/21/24/166812124.db2.gz ZRCNRANASZLJBX-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H](C)C2CC2)CCC[NH2+]1 133821199 343927585 /nfs/dbraw/zinc/92/75/85/343927585.db2.gz POSUFJHRYIUDFN-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H](C)C2CC2)CCC[NH2+]1 133821199 343927586 /nfs/dbraw/zinc/92/75/86/343927586.db2.gz POSUFJHRYIUDFN-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H](C[N@@H+]1CCC[NH2+][C@H](C)C1)C1CC1 133820977 343927738 /nfs/dbraw/zinc/92/77/38/343927738.db2.gz POSUFJHRYIUDFN-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](C2CC=CC2)CCC[NH2+]1 133856969 343928274 /nfs/dbraw/zinc/92/82/74/343928274.db2.gz TWGJCFHCRLOSNK-SNVBAGLBSA-N 2 2 180.295 1.389 10 0 ADAELP C[C@@H]1C[N@H+](C2CC=CC2)CCC[NH2+]1 133856969 343928275 /nfs/dbraw/zinc/92/82/75/343928275.db2.gz TWGJCFHCRLOSNK-SNVBAGLBSA-N 2 2 180.295 1.389 10 0 ADAELP CCC[NH2+][C@@H](CC)Cn1cc[nH+]c1 50180190 166995866 /nfs/dbraw/zinc/99/58/66/166995866.db2.gz YPLIKTBFVDNTKH-JTQLQIEISA-N 2 2 181.283 1.661 10 0 ADAELP CCC[NH2+][C@H](CC)C[N@H+](C)CC 50179170 167000019 /nfs/dbraw/zinc/00/00/19/167000019.db2.gz VBPZMKHUDPQMPT-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CCC[NH2+][C@H](CC)C[N@@H+](C)CC 50179170 167000020 /nfs/dbraw/zinc/00/00/20/167000020.db2.gz VBPZMKHUDPQMPT-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](C)C1CC1 43823950 167000196 /nfs/dbraw/zinc/00/01/96/167000196.db2.gz CZVCMGKTPUVKNW-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)C1CC1 43823950 167000199 /nfs/dbraw/zinc/00/01/99/167000199.db2.gz CZVCMGKTPUVKNW-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@H](CC)Cn1cc[nH+]c1 50180191 167000661 /nfs/dbraw/zinc/00/06/61/167000661.db2.gz YPLIKTBFVDNTKH-SNVBAGLBSA-N 2 2 181.283 1.661 10 0 ADAELP CCC[NH2+][C@H](C)[C@H](C)[N@H+](C)C1CC1 43823956 167000776 /nfs/dbraw/zinc/00/07/76/167000776.db2.gz CZVCMGKTPUVKNW-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](C)C1CC1 43823956 167000778 /nfs/dbraw/zinc/00/07/78/167000778.db2.gz CZVCMGKTPUVKNW-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@H](CC)C[N@H+](C)C1CC1 50179182 167001008 /nfs/dbraw/zinc/00/10/08/167001008.db2.gz SWXRAJVTAGDWOW-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H](CC)C[N@@H+](C)C1CC1 50179182 167001010 /nfs/dbraw/zinc/00/10/10/167001010.db2.gz SWXRAJVTAGDWOW-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H](C)C[N@H+](C)C1CC1 43823679 167001087 /nfs/dbraw/zinc/00/10/87/167001087.db2.gz OXQIAUDJAJIBBV-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@H](C)C[N@@H+](C)C1CC1 43823679 167001088 /nfs/dbraw/zinc/00/10/88/167001088.db2.gz OXQIAUDJAJIBBV-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@H](C)C[NH+]1CCCC1 42320673 167001129 /nfs/dbraw/zinc/00/11/29/167001129.db2.gz UAJISEHZSWDAQI-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+][C@H](C)C[N@H+](C)CC 44471860 167001210 /nfs/dbraw/zinc/00/12/10/167001210.db2.gz GWDWXMNXQIRQBI-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[NH2+][C@H](C)C[N@@H+](C)CC 44471860 167001212 /nfs/dbraw/zinc/00/12/12/167001212.db2.gz GWDWXMNXQIRQBI-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[NH2+][C@H](CCC)C[NH+](C)C 50184575 167001404 /nfs/dbraw/zinc/00/14/04/167001404.db2.gz CZNZGGWILBWCRH-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@H+](CCC)C1 70584416 167001671 /nfs/dbraw/zinc/00/16/71/167001671.db2.gz DOTMHVPWFSNJHO-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@@H+](CCC)C1 70584416 167001674 /nfs/dbraw/zinc/00/16/74/167001674.db2.gz DOTMHVPWFSNJHO-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1cccnc1 50270555 167001797 /nfs/dbraw/zinc/00/17/97/167001797.db2.gz BIYPRAGGLPCFBN-SNVBAGLBSA-N 2 2 179.267 1.081 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccccc1 50270581 167001862 /nfs/dbraw/zinc/00/18/62/167001862.db2.gz BLOBZTUQNUJPNN-LLVKDONJSA-N 2 2 178.279 1.686 10 0 ADAELP CCC[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1 37107327 167002040 /nfs/dbraw/zinc/00/20/40/167002040.db2.gz YJIFJODLAVXWHU-WDEREUQCSA-N 2 2 193.294 1.976 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccccc1C 50270437 167002060 /nfs/dbraw/zinc/00/20/60/167002060.db2.gz KCAOEPPZIXTUBJ-GFCCVEGCSA-N 2 2 192.306 1.994 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@@H+](C2CC2)C1 70584370 167002128 /nfs/dbraw/zinc/00/21/28/167002128.db2.gz IGVZPPOGGSJECM-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@H+](C2CC2)C1 70584370 167002129 /nfs/dbraw/zinc/00/21/29/167002129.db2.gz IGVZPPOGGSJECM-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccc(C)cc1 50270439 167002303 /nfs/dbraw/zinc/00/23/03/167002303.db2.gz NTCDPHSTXJEUDE-GFCCVEGCSA-N 2 2 192.306 1.994 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@H+](C)C1 40672304 167002446 /nfs/dbraw/zinc/00/24/46/167002446.db2.gz NGVUXMRTXJFUGK-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@@H+](C)C1 40672304 167002450 /nfs/dbraw/zinc/00/24/50/167002450.db2.gz NGVUXMRTXJFUGK-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1cccc(F)c1 50270463 167002490 /nfs/dbraw/zinc/00/24/90/167002490.db2.gz ZFUBKCUZWYMGSX-LLVKDONJSA-N 2 2 196.269 1.825 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 52210744 167002531 /nfs/dbraw/zinc/00/25/31/167002531.db2.gz DWTJEMMDFBTHBQ-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](C2CCC2)C1 52210744 167002533 /nfs/dbraw/zinc/00/25/33/167002533.db2.gz DWTJEMMDFBTHBQ-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccc(C)o1 50270459 167002631 /nfs/dbraw/zinc/00/26/31/167002631.db2.gz SRYUPFRFOYXBOA-SECBINFHSA-N 2 2 182.267 1.587 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](CC)C1 37241615 167002677 /nfs/dbraw/zinc/00/26/77/167002677.db2.gz VLEGRLOCDJMKDU-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](CC)C1 37241615 167002680 /nfs/dbraw/zinc/00/26/80/167002680.db2.gz VLEGRLOCDJMKDU-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)C1 52288971 167002701 /nfs/dbraw/zinc/00/27/01/167002701.db2.gz AKZALZSEGGSVGO-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H]2C[C@@H]2C)C1 52288971 167002704 /nfs/dbraw/zinc/00/27/04/167002704.db2.gz AKZALZSEGGSVGO-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 37241623 167003236 /nfs/dbraw/zinc/00/32/36/167003236.db2.gz JTJYFXQOANVNFK-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 37241623 167003240 /nfs/dbraw/zinc/00/32/40/167003240.db2.gz JTJYFXQOANVNFK-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 45135305 167003287 /nfs/dbraw/zinc/00/32/87/167003287.db2.gz WUHAYGYUAYTZTL-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 45135305 167003289 /nfs/dbraw/zinc/00/32/89/167003289.db2.gz WUHAYGYUAYTZTL-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1cccs1 50270505 167003298 /nfs/dbraw/zinc/00/32/98/167003298.db2.gz KLZHSUVXWKLPCM-MRVPVSSYSA-N 2 2 184.308 1.748 10 0 ADAELP CCC[NH2+][C@H]1C[NH+]2CCC1CC2 19947924 167003304 /nfs/dbraw/zinc/00/33/04/167003304.db2.gz BLFQYZIPSHFXAE-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccc(CC)o1 51726048 167003866 /nfs/dbraw/zinc/00/38/66/167003866.db2.gz PHCMLJUEZWYGMF-SNVBAGLBSA-N 2 2 196.294 1.841 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccc(F)cc1 50270515 167003974 /nfs/dbraw/zinc/00/39/74/167003974.db2.gz ZXMSPUVJSHXGST-LLVKDONJSA-N 2 2 196.269 1.825 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@H+](CC)C1 40502370 167004066 /nfs/dbraw/zinc/00/40/66/167004066.db2.gz NNHITFISBNRNBF-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@@H+](CC)C1 40502370 167004068 /nfs/dbraw/zinc/00/40/68/167004068.db2.gz NNHITFISBNRNBF-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 37107323 167004122 /nfs/dbraw/zinc/00/41/22/167004122.db2.gz YJIFJODLAVXWHU-QWRGUYRKSA-N 2 2 193.294 1.976 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccsc1 50270471 167004169 /nfs/dbraw/zinc/00/41/69/167004169.db2.gz ALBYCDBVGMQDIA-SECBINFHSA-N 2 2 184.308 1.748 10 0 ADAELP CCCNc1[nH+]c(C)cc(C)c1C[NH3+] 50423108 167008645 /nfs/dbraw/zinc/00/86/45/167008645.db2.gz DGLXBEHKGZUDNR-UHFFFAOYSA-N 2 2 193.294 1.979 10 0 ADAELP CCCNc1cc[nH+]c(C[NH3+])c1 61811754 167008864 /nfs/dbraw/zinc/00/88/64/167008864.db2.gz XBRWNVSHENPJIG-UHFFFAOYSA-N 2 2 165.240 1.362 10 0 ADAELP CCCOc1ccc([C@@H]([NH3+])C[NH3+])cc1 44469347 167019146 /nfs/dbraw/zinc/01/91/46/167019146.db2.gz SGTWXWMOLFNTFM-NSHDSACASA-N 2 2 194.278 1.434 10 0 ADAELP CCCOc1ccc([C@H]([NH3+])C[NH3+])cc1 44469344 167020133 /nfs/dbraw/zinc/02/01/33/167020133.db2.gz SGTWXWMOLFNTFM-LLVKDONJSA-N 2 2 194.278 1.434 10 0 ADAELP CCCOc1cccc([C@@H]([NH3+])C[NH3+])c1 44473740 167020729 /nfs/dbraw/zinc/02/07/29/167020729.db2.gz YZOHZCUWCJOMGW-NSHDSACASA-N 2 2 194.278 1.434 10 0 ADAELP CC1(C)C[N@@H+](C2CC=CC2)CCC[NH2+]1 133858080 343928853 /nfs/dbraw/zinc/92/88/53/343928853.db2.gz DCFGGEXIKKQXGC-UHFFFAOYSA-N 2 2 194.322 1.779 10 0 ADAELP CC1(C)C[N@H+](C2CC=CC2)CCC[NH2+]1 133858080 343928854 /nfs/dbraw/zinc/92/88/54/343928854.db2.gz DCFGGEXIKKQXGC-UHFFFAOYSA-N 2 2 194.322 1.779 10 0 ADAELP CCCOc1cccc([C@H]([NH3+])C[NH3+])c1 44473737 167022152 /nfs/dbraw/zinc/02/21/52/167022152.db2.gz YZOHZCUWCJOMGW-LLVKDONJSA-N 2 2 194.278 1.434 10 0 ADAELP CCC[C@@H](C)C[N@@H+]1CCC[NH2+]CC1 49954051 167028461 /nfs/dbraw/zinc/02/84/61/167028461.db2.gz XPOMKOZXWXSTJS-LLVKDONJSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[C@@H](C)C[N@H+]1CCC[NH2+]CC1 49954051 167028465 /nfs/dbraw/zinc/02/84/65/167028465.db2.gz XPOMKOZXWXSTJS-LLVKDONJSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[C@@H](C)C[NH2+]CCc1c[nH]c[nH+]1 83342429 167029908 /nfs/dbraw/zinc/02/99/08/167029908.db2.gz USABIKDENQOKET-SNVBAGLBSA-N 2 2 195.310 1.978 10 0 ADAELP CCC[C@@H](C)C[NH2+]CCc1c[nH+]c[nH]1 83342429 167029910 /nfs/dbraw/zinc/02/99/10/167029910.db2.gz USABIKDENQOKET-SNVBAGLBSA-N 2 2 195.310 1.978 10 0 ADAELP CCC[C@@H](C)C[NH2+]CC[NH+](C)C 20083613 167030123 /nfs/dbraw/zinc/03/01/23/167030123.db2.gz RKWQSUYLJVXKTB-SNVBAGLBSA-N 2 2 172.316 1.574 10 0 ADAELP CCC[C@@H](C)C[NH2+]CCn1cc[nH+]c1 41050940 167030884 /nfs/dbraw/zinc/03/08/84/167030884.db2.gz BMIZYPJRALLEGF-LLVKDONJSA-N 2 2 195.310 1.909 10 0 ADAELP CCC[C@@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49661175 167033157 /nfs/dbraw/zinc/03/31/57/167033157.db2.gz FQTOCCVMYIYZFG-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[C@@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 49661175 167033159 /nfs/dbraw/zinc/03/31/59/167033159.db2.gz FQTOCCVMYIYZFG-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[C@@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053846 167033597 /nfs/dbraw/zinc/03/35/97/167033597.db2.gz KHOBGOPTICGAIO-BBBLOLIVSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053846 167033598 /nfs/dbraw/zinc/03/35/98/167033598.db2.gz KHOBGOPTICGAIO-BBBLOLIVSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49661179 167033930 /nfs/dbraw/zinc/03/39/30/167033930.db2.gz LOCFYOWAUCTZMN-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49661179 167033934 /nfs/dbraw/zinc/03/39/34/167033934.db2.gz LOCFYOWAUCTZMN-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 19948162 167034832 /nfs/dbraw/zinc/03/48/32/167034832.db2.gz QDBNIDLEMCTMOY-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 19948154 167035666 /nfs/dbraw/zinc/03/56/66/167035666.db2.gz QDBNIDLEMCTMOY-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672365 167036006 /nfs/dbraw/zinc/03/60/06/167036006.db2.gz MZGGNGISQXLYIM-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672365 167036008 /nfs/dbraw/zinc/03/60/08/167036008.db2.gz MZGGNGISQXLYIM-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40672367 167036994 /nfs/dbraw/zinc/03/69/94/167036994.db2.gz MZGGNGISQXLYIM-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40672367 167036996 /nfs/dbraw/zinc/03/69/96/167036996.db2.gz MZGGNGISQXLYIM-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+]CCc1[nH+]ccn1C 40638875 167037143 /nfs/dbraw/zinc/03/71/43/167037143.db2.gz VOLUGXJBUSJSNB-SNVBAGLBSA-N 2 2 195.310 1.741 10 0 ADAELP CCC[C@@H](C[NH+](C)C)[NH2+]CC 50184572 167040550 /nfs/dbraw/zinc/04/05/50/167040550.db2.gz VLNPXJOTQJZFKS-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CCC[C@@H](C[N@H+](CC)C1CC1)[NH2+]C 50184729 167040897 /nfs/dbraw/zinc/04/08/97/167040897.db2.gz UJVSQXRXRGIUFK-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C[N@@H+](CC)C1CC1)[NH2+]C 50184729 167040900 /nfs/dbraw/zinc/04/09/00/167040900.db2.gz UJVSQXRXRGIUFK-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C[N@H+](C)C1CC1)[NH2+]C 50184739 167041069 /nfs/dbraw/zinc/04/10/69/167041069.db2.gz FGEUVFBRQIECKS-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CCC[C@@H](C[N@@H+](C)C1CC1)[NH2+]C 50184739 167041073 /nfs/dbraw/zinc/04/10/73/167041073.db2.gz FGEUVFBRQIECKS-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CCC[C@@H](C[NH3+])[N@H+](C)Cc1ccoc1 42447947 167041141 /nfs/dbraw/zinc/04/11/41/167041141.db2.gz HYTGIHUNLREEOQ-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CCC[C@@H](C[NH3+])[N@@H+](C)Cc1ccoc1 42447947 167041145 /nfs/dbraw/zinc/04/11/45/167041145.db2.gz HYTGIHUNLREEOQ-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CCC[C@@H](C[N@H+](C)C1CC1)[NH2+]CC 50184741 167041331 /nfs/dbraw/zinc/04/13/31/167041331.db2.gz LEZRBAMCXLAVLO-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C[N@@H+](C)C1CC1)[NH2+]CC 50184741 167041335 /nfs/dbraw/zinc/04/13/35/167041335.db2.gz LEZRBAMCXLAVLO-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C[N@H+](C)CC)[NH2+]CC 50184723 167042145 /nfs/dbraw/zinc/04/21/45/167042145.db2.gz NQGZGTXBQVLWHP-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP CCC[C@@H](C[N@@H+](C)CC)[NH2+]CC 50184723 167042148 /nfs/dbraw/zinc/04/21/48/167042148.db2.gz NQGZGTXBQVLWHP-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP CCC[C@@H](C[N@H+](C)CC)[NH2+]C 50184720 167042604 /nfs/dbraw/zinc/04/26/04/167042604.db2.gz HEDRSGYIXUEFEY-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CCC[C@@H](C[N@@H+](C)CC)[NH2+]C 50184720 167042608 /nfs/dbraw/zinc/04/26/08/167042608.db2.gz HEDRSGYIXUEFEY-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CCC[C@@H](Cn1cc[nH+]c1)[NH2+]CC 50185870 167043568 /nfs/dbraw/zinc/04/35/68/167043568.db2.gz KWXHIJGGDRPDAL-JTQLQIEISA-N 2 2 181.283 1.661 10 0 ADAELP CCC[C@@H](Cn1cc[nH+]c1)[NH2+]C 50185872 167043956 /nfs/dbraw/zinc/04/39/56/167043956.db2.gz QXOZWMIJHAVNEJ-VIFPVBQESA-N 2 2 167.256 1.271 10 0 ADAELP CCC[C@@H]([NH3+])Cn1cc[nH+]c1 50185867 167046414 /nfs/dbraw/zinc/04/64/14/167046414.db2.gz CXEXVULHSFUWLF-MRVPVSSYSA-N 2 2 153.229 1.011 10 0 ADAELP CCC[C@@H]([NH3+])[C@@H](CC)n1cc[nH+]c1 19393094 167047072 /nfs/dbraw/zinc/04/70/72/167047072.db2.gz AVJTVIFRTGRBQJ-NXEZZACHSA-N 2 2 181.283 1.962 10 0 ADAELP CCC[C@@H]([NH3+])[C@H](CC)n1cc[nH+]c1 19393099 167047966 /nfs/dbraw/zinc/04/79/66/167047966.db2.gz AVJTVIFRTGRBQJ-ZJUUUORDSA-N 2 2 181.283 1.962 10 0 ADAELP CCC[C@@H]([NH3+])Cc1[nH]cc[nH+]1 36946710 167048690 /nfs/dbraw/zinc/04/86/90/167048690.db2.gz KHZSWXHIOIOORF-SSDOTTSWSA-N 2 2 153.229 1.080 10 0 ADAELP CCC[C@@H]1CC[N@H+](C)C[C@@H]1[NH3+] 76591960 167054015 /nfs/dbraw/zinc/05/40/15/167054015.db2.gz OLVADODBMKRDKJ-BDAKNGLRSA-N 2 2 156.273 1.066 10 0 ADAELP CCC[C@@H]1CC[N@@H+](C)C[C@@H]1[NH3+] 76591960 167054016 /nfs/dbraw/zinc/05/40/16/167054016.db2.gz OLVADODBMKRDKJ-BDAKNGLRSA-N 2 2 156.273 1.066 10 0 ADAELP CCC[C@H](C)C[NH2+]CCc1c[nH]c[nH+]1 83342430 167063324 /nfs/dbraw/zinc/06/33/24/167063324.db2.gz USABIKDENQOKET-JTQLQIEISA-N 2 2 195.310 1.978 10 0 ADAELP CCC[C@H](C)C[NH2+]CCc1c[nH+]c[nH]1 83342430 167063328 /nfs/dbraw/zinc/06/33/28/167063328.db2.gz USABIKDENQOKET-JTQLQIEISA-N 2 2 195.310 1.978 10 0 ADAELP CCC[C@H](C)C[N@@H+]1CCC[NH2+]CC1 49954052 167064463 /nfs/dbraw/zinc/06/44/63/167064463.db2.gz XPOMKOZXWXSTJS-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP CCC[C@H](C)C[N@H+]1CCC[NH2+]CC1 49954052 167064464 /nfs/dbraw/zinc/06/44/64/167064464.db2.gz XPOMKOZXWXSTJS-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP CCC[C@H](C)C[NH2+]CC[NH+](C)C 20083617 167064762 /nfs/dbraw/zinc/06/47/62/167064762.db2.gz RKWQSUYLJVXKTB-JTQLQIEISA-N 2 2 172.316 1.574 10 0 ADAELP CCC[C@H](C)C[NH2+]CCn1cc[nH+]c1 41050941 167065346 /nfs/dbraw/zinc/06/53/46/167065346.db2.gz BMIZYPJRALLEGF-NSHDSACASA-N 2 2 195.310 1.909 10 0 ADAELP CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 49661180 167067001 /nfs/dbraw/zinc/06/70/01/167067001.db2.gz LOCFYOWAUCTZMN-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 49661180 167067003 /nfs/dbraw/zinc/06/70/03/167067003.db2.gz LOCFYOWAUCTZMN-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 49661177 167067733 /nfs/dbraw/zinc/06/77/33/167067733.db2.gz FQTOCCVMYIYZFG-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 49661177 167067737 /nfs/dbraw/zinc/06/77/37/167067737.db2.gz FQTOCCVMYIYZFG-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053847 167069015 /nfs/dbraw/zinc/06/90/15/167069015.db2.gz KHOBGOPTICGAIO-AEJSXWLSSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053847 167069017 /nfs/dbraw/zinc/06/90/17/167069017.db2.gz KHOBGOPTICGAIO-AEJSXWLSSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[C@H](C)[NH2+]CCc1[nH+]ccn1C 40638876 167069847 /nfs/dbraw/zinc/06/98/47/167069847.db2.gz VOLUGXJBUSJSNB-JTQLQIEISA-N 2 2 195.310 1.741 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1C[NH+]2CCC1CC2 19948166 167070063 /nfs/dbraw/zinc/07/00/63/167070063.db2.gz QDBNIDLEMCTMOY-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 40672368 167070844 /nfs/dbraw/zinc/07/08/44/167070844.db2.gz MZGGNGISQXLYIM-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 40672368 167070847 /nfs/dbraw/zinc/07/08/47/167070847.db2.gz MZGGNGISQXLYIM-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1C[NH+]2CCC1CC2 19948158 167071526 /nfs/dbraw/zinc/07/15/26/167071526.db2.gz QDBNIDLEMCTMOY-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 40672366 167071540 /nfs/dbraw/zinc/07/15/40/167071540.db2.gz MZGGNGISQXLYIM-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 40672366 167071543 /nfs/dbraw/zinc/07/15/43/167071543.db2.gz MZGGNGISQXLYIM-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C[N@H+](CC)C1CC1)[NH2+]C 50184730 167075626 /nfs/dbraw/zinc/07/56/26/167075626.db2.gz UJVSQXRXRGIUFK-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C[N@@H+](CC)C1CC1)[NH2+]C 50184730 167075628 /nfs/dbraw/zinc/07/56/28/167075628.db2.gz UJVSQXRXRGIUFK-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C[N@H+](C)CC)[NH2+]CC 50184724 167075668 /nfs/dbraw/zinc/07/56/68/167075668.db2.gz NQGZGTXBQVLWHP-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CCC[C@H](C[N@@H+](C)CC)[NH2+]CC 50184724 167075670 /nfs/dbraw/zinc/07/56/70/167075670.db2.gz NQGZGTXBQVLWHP-SNVBAGLBSA-N 2 2 172.316 1.716 10 0 ADAELP CCC[C@H](C[NH3+])[N@H+](C)Cc1ccoc1 42447949 167075719 /nfs/dbraw/zinc/07/57/19/167075719.db2.gz HYTGIHUNLREEOQ-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CCC[C@H](C[NH3+])[N@@H+](C)Cc1ccoc1 42447949 167075722 /nfs/dbraw/zinc/07/57/22/167075722.db2.gz HYTGIHUNLREEOQ-LLVKDONJSA-N 2 2 196.294 1.839 10 0 ADAELP CCC[C@H](C[NH+](C)C)[NH2+]CC 50184573 167076257 /nfs/dbraw/zinc/07/62/57/167076257.db2.gz VLNPXJOTQJZFKS-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[C@H](C[N@H+](C)CC)[NH2+]C 50184721 167076604 /nfs/dbraw/zinc/07/66/04/167076604.db2.gz HEDRSGYIXUEFEY-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[C@H](C[N@@H+](C)CC)[NH2+]C 50184721 167076607 /nfs/dbraw/zinc/07/66/07/167076607.db2.gz HEDRSGYIXUEFEY-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[C@H](C[N@H+](C)C1CC1)[NH2+]C 50184740 167076670 /nfs/dbraw/zinc/07/66/70/167076670.db2.gz FGEUVFBRQIECKS-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[C@H](C[N@@H+](C)C1CC1)[NH2+]C 50184740 167076674 /nfs/dbraw/zinc/07/66/74/167076674.db2.gz FGEUVFBRQIECKS-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[C@H](C[N@H+](C)C1CC1)[NH2+]CC 50184742 167076838 /nfs/dbraw/zinc/07/68/38/167076838.db2.gz LEZRBAMCXLAVLO-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C[N@@H+](C)C1CC1)[NH2+]CC 50184742 167076839 /nfs/dbraw/zinc/07/68/39/167076839.db2.gz LEZRBAMCXLAVLO-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](Cn1cc[nH+]c1)[NH2+]C 50185873 167077848 /nfs/dbraw/zinc/07/78/48/167077848.db2.gz QXOZWMIJHAVNEJ-SECBINFHSA-N 2 2 167.256 1.271 10 0 ADAELP CCC[C@H](Cn1cc[nH+]c1)[NH2+]CC 50185871 167080362 /nfs/dbraw/zinc/08/03/62/167080362.db2.gz KWXHIJGGDRPDAL-SNVBAGLBSA-N 2 2 181.283 1.661 10 0 ADAELP CCC[C@H]([NH3+])[C@@H](CC)n1cc[nH+]c1 19393097 167081148 /nfs/dbraw/zinc/08/11/48/167081148.db2.gz AVJTVIFRTGRBQJ-VHSXEESVSA-N 2 2 181.283 1.962 10 0 ADAELP CCC[C@H]([NH3+])Cn1cc[nH+]c1 50185866 167081840 /nfs/dbraw/zinc/08/18/40/167081840.db2.gz CXEXVULHSFUWLF-QMMMGPOBSA-N 2 2 153.229 1.011 10 0 ADAELP CCC[C@H]([NH3+])[C@H](CC)n1cc[nH+]c1 19393102 167082035 /nfs/dbraw/zinc/08/20/35/167082035.db2.gz AVJTVIFRTGRBQJ-UWVGGRQHSA-N 2 2 181.283 1.962 10 0 ADAELP CCC[C@H]([NH3+])Cc1[nH]cc[nH+]1 36946709 167083458 /nfs/dbraw/zinc/08/34/58/167083458.db2.gz KHZSWXHIOIOORF-ZETCQYMHSA-N 2 2 153.229 1.080 10 0 ADAELP CCC[C@H]1CC[N@H+](C)C[C@@H]1[NH3+] 76591963 167088176 /nfs/dbraw/zinc/08/81/76/167088176.db2.gz OLVADODBMKRDKJ-IUCAKERBSA-N 2 2 156.273 1.066 10 0 ADAELP CCC[C@H]1CC[N@@H+](C)C[C@@H]1[NH3+] 76591963 167088180 /nfs/dbraw/zinc/08/81/80/167088180.db2.gz OLVADODBMKRDKJ-IUCAKERBSA-N 2 2 156.273 1.066 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 134167526 343935651 /nfs/dbraw/zinc/93/56/51/343935651.db2.gz CISCXVYDCLZYRF-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 134167526 343935653 /nfs/dbraw/zinc/93/56/53/343935653.db2.gz CISCXVYDCLZYRF-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1cccc(C)c1 50270441 167002863 /nfs/dbraw/zinc/00/28/63/167002863.db2.gz MRCTZQZZOGLFSB-GFCCVEGCSA-N 2 2 192.306 1.994 10 0 ADAELP CCC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 37240230 167003016 /nfs/dbraw/zinc/00/30/16/167003016.db2.gz TYHVHRVFOOAVQY-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 37240230 167003020 /nfs/dbraw/zinc/00/30/20/167003020.db2.gz TYHVHRVFOOAVQY-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@@H+](C(C)C)C1 70584738 167003068 /nfs/dbraw/zinc/00/30/68/167003068.db2.gz PFQFFDAPEJCWJD-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H]1CCC[N@H+](C(C)C)C1 70584738 167003070 /nfs/dbraw/zinc/00/30/70/167003070.db2.gz PFQFFDAPEJCWJD-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccccc1F 50270577 167003076 /nfs/dbraw/zinc/00/30/76/167003076.db2.gz UUQKGYUYGUFSON-LLVKDONJSA-N 2 2 196.269 1.825 10 0 ADAELP CCC[NH2+][C@H](C[NH3+])c1ccco1 50270511 167003208 /nfs/dbraw/zinc/00/32/08/167003208.db2.gz AQPWVFOGDSVRNC-MRVPVSSYSA-N 2 2 168.240 1.279 10 0 ADAELP CCCc1[nH]c([C@@H](C)[NH3+])c[nH+]1 82510360 167109252 /nfs/dbraw/zinc/10/92/52/167109252.db2.gz BWDPEPAXUVBDMC-ZCFIWIBFSA-N 2 2 153.229 1.382 10 0 ADAELP CCCc1[nH]c(C2CC[NH2+]CC2)c[nH+]1 82516934 167111447 /nfs/dbraw/zinc/11/14/47/167111447.db2.gz LYBUSDDZNJCVFC-UHFFFAOYSA-N 2 2 193.294 1.829 10 0 ADAELP CCCc1[nH]c([C@H](C)[NH3+])c[nH+]1 82510361 167112486 /nfs/dbraw/zinc/11/24/86/167112486.db2.gz BWDPEPAXUVBDMC-LURJTMIESA-N 2 2 153.229 1.382 10 0 ADAELP CCCc1[nH]c2cc(C[NH3+])ccc2[nH+]1 82588316 167113443 /nfs/dbraw/zinc/11/34/43/167113443.db2.gz PBIDWPIOUNPFON-UHFFFAOYSA-N 2 2 189.262 1.974 10 0 ADAELP CCCc1[nH]c2c(C[NH3+])cccc2[nH+]1 82636332 167113658 /nfs/dbraw/zinc/11/36/58/167113658.db2.gz RRDKQSIWTKMLEH-UHFFFAOYSA-N 2 2 189.262 1.974 10 0 ADAELP CCCn1cc[nH+]c1C[C@@H](C)[NH3+] 22861590 167122519 /nfs/dbraw/zinc/12/25/19/167122519.db2.gz CFOZDBPDJMMRRQ-MRVPVSSYSA-N 2 2 167.256 1.183 10 0 ADAELP CCCn1cc[nH+]c1C[C@H](C)[NH3+] 22861595 167122795 /nfs/dbraw/zinc/12/27/95/167122795.db2.gz CFOZDBPDJMMRRQ-QMMMGPOBSA-N 2 2 167.256 1.183 10 0 ADAELP CCn1c[nH+]cc1C[C@H]1CCC[NH2+]1 134339655 343940289 /nfs/dbraw/zinc/94/02/89/343940289.db2.gz WNJHDEJRNPOKPA-SECBINFHSA-N 2 2 179.267 1.198 10 0 ADAELP CC[N@H+](C(C)C)[C@H](C)[C@@H](C)[NH3+] 41053789 167129430 /nfs/dbraw/zinc/12/94/30/167129430.db2.gz KUVHKDXOVSRBNR-RKDXNWHRSA-N 2 2 158.289 1.452 10 0 ADAELP CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)[NH3+] 41053789 167129431 /nfs/dbraw/zinc/12/94/31/167129431.db2.gz KUVHKDXOVSRBNR-RKDXNWHRSA-N 2 2 158.289 1.452 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH3+] 37082067 167129446 /nfs/dbraw/zinc/12/94/46/167129446.db2.gz HKZQTGDKPWPZSB-VHSXEESVSA-N 2 2 170.300 1.597 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH3+] 37082067 167129447 /nfs/dbraw/zinc/12/94/47/167129447.db2.gz HKZQTGDKPWPZSB-VHSXEESVSA-N 2 2 170.300 1.597 10 0 ADAELP CC[N@H+](C(C)C)[C@@H](C)[C@@H](C)[NH2+]C 43824347 167129474 /nfs/dbraw/zinc/12/94/74/167129474.db2.gz XCVSQHWNNHRLQJ-ZJUUUORDSA-N 2 2 172.316 1.713 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)[NH2+]C 43824347 167129475 /nfs/dbraw/zinc/12/94/75/167129475.db2.gz XCVSQHWNNHRLQJ-ZJUUUORDSA-N 2 2 172.316 1.713 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1CCCC[NH2+]C1 54134980 167130453 /nfs/dbraw/zinc/13/04/53/167130453.db2.gz PNNHXPKTKGKDJB-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1CCCC[NH2+]C1 54134980 167130454 /nfs/dbraw/zinc/13/04/54/167130454.db2.gz PNNHXPKTKGKDJB-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+](C(C)C)[C@@H](C)[C@@H](C)[NH3+] 41053788 167130545 /nfs/dbraw/zinc/13/05/45/167130545.db2.gz KUVHKDXOVSRBNR-BDAKNGLRSA-N 2 2 158.289 1.452 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)[NH3+] 41053788 167130547 /nfs/dbraw/zinc/13/05/47/167130547.db2.gz KUVHKDXOVSRBNR-BDAKNGLRSA-N 2 2 158.289 1.452 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1CCC[C@@H]1[NH3+] 37082068 167130613 /nfs/dbraw/zinc/13/06/13/167130613.db2.gz HKZQTGDKPWPZSB-UWVGGRQHSA-N 2 2 170.300 1.597 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1[NH3+] 37082068 167130616 /nfs/dbraw/zinc/13/06/16/167130616.db2.gz HKZQTGDKPWPZSB-UWVGGRQHSA-N 2 2 170.300 1.597 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1CCCC[C@@H]1[NH3+] 37082129 167131393 /nfs/dbraw/zinc/13/13/93/167131393.db2.gz JKYRLRJKMJMDAA-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1[NH3+] 37082129 167131394 /nfs/dbraw/zinc/13/13/94/167131394.db2.gz JKYRLRJKMJMDAA-QWRGUYRKSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH2+]C 43824011 167131409 /nfs/dbraw/zinc/13/14/09/167131409.db2.gz CVAQSABPJCTNGW-WDEREUQCSA-N 2 2 184.327 1.857 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1[NH2+]C 43824011 167131410 /nfs/dbraw/zinc/13/14/10/167131410.db2.gz CVAQSABPJCTNGW-WDEREUQCSA-N 2 2 184.327 1.857 10 0 ADAELP Cn1c[nH+]cc1C[C@@]1(C)CCC[NH2+]1 134343291 343940819 /nfs/dbraw/zinc/94/08/19/343940819.db2.gz KWFNWAFLBGIACK-SNVBAGLBSA-N 2 2 179.267 1.105 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1CCC[C@@H]1[NH2+]C 43824014 167132197 /nfs/dbraw/zinc/13/21/97/167132197.db2.gz CVAQSABPJCTNGW-QWRGUYRKSA-N 2 2 184.327 1.857 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1[NH2+]C 43824014 167132201 /nfs/dbraw/zinc/13/22/01/167132201.db2.gz CVAQSABPJCTNGW-QWRGUYRKSA-N 2 2 184.327 1.857 10 0 ADAELP CC[N@H+](C(C)C)[C@H](C)[C@@H](C)[NH2+]C 43824350 167132310 /nfs/dbraw/zinc/13/23/10/167132310.db2.gz XCVSQHWNNHRLQJ-NXEZZACHSA-N 2 2 172.316 1.713 10 0 ADAELP CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)[NH2+]C 43824350 167132312 /nfs/dbraw/zinc/13/23/12/167132312.db2.gz XCVSQHWNNHRLQJ-NXEZZACHSA-N 2 2 172.316 1.713 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1CCCC[NH2+]C1 54134978 167132359 /nfs/dbraw/zinc/13/23/59/167132359.db2.gz PNNHXPKTKGKDJB-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1CCCC[NH2+]C1 54134978 167132361 /nfs/dbraw/zinc/13/23/61/167132361.db2.gz PNNHXPKTKGKDJB-LLVKDONJSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1CCCC[C@@H]1[NH3+] 37082128 167132368 /nfs/dbraw/zinc/13/23/68/167132368.db2.gz JKYRLRJKMJMDAA-WDEREUQCSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1[NH3+] 37082128 167132369 /nfs/dbraw/zinc/13/23/69/167132369.db2.gz JKYRLRJKMJMDAA-WDEREUQCSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 20225674 167143488 /nfs/dbraw/zinc/14/34/88/167143488.db2.gz GEOIDSLAHYUWBH-NSHDSACASA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 20225674 167143490 /nfs/dbraw/zinc/14/34/90/167143490.db2.gz GEOIDSLAHYUWBH-NSHDSACASA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccc(C)cc1 20225568 167143843 /nfs/dbraw/zinc/14/38/43/167143843.db2.gz HZWABPGECXAUPW-LBPRGKRZSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccc(C)cc1 20225568 167143845 /nfs/dbraw/zinc/14/38/45/167143845.db2.gz HZWABPGECXAUPW-LBPRGKRZSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1cccc(C)c1 20225512 167144391 /nfs/dbraw/zinc/14/43/91/167144391.db2.gz YBQNTWOQEJICDN-LBPRGKRZSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1cccc(C)c1 20225512 167144393 /nfs/dbraw/zinc/14/43/93/167144393.db2.gz YBQNTWOQEJICDN-LBPRGKRZSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@H+](C)[C@@H](c1ccco1)[C@@H](C)[NH3+] 43334692 167144796 /nfs/dbraw/zinc/14/47/96/167144796.db2.gz BZADBMIMWNSBCF-PSASIEDQSA-N 2 2 182.267 1.620 10 0 ADAELP CC[N@@H+](C)[C@@H](c1ccco1)[C@@H](C)[NH3+] 43334692 167144798 /nfs/dbraw/zinc/14/47/98/167144798.db2.gz BZADBMIMWNSBCF-PSASIEDQSA-N 2 2 182.267 1.620 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1cccs1 20225336 167144902 /nfs/dbraw/zinc/14/49/02/167144902.db2.gz DPNTWBFSTNAOQA-QMMMGPOBSA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1cccs1 20225336 167144904 /nfs/dbraw/zinc/14/49/04/167144904.db2.gz DPNTWBFSTNAOQA-QMMMGPOBSA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@H+](C)[C@@H](c1cccnc1)[C@@H](C)[NH3+] 43346104 167145055 /nfs/dbraw/zinc/14/50/55/167145055.db2.gz FYYGRDUZKXIBPS-MWLCHTKSSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@@H](c1cccnc1)[C@@H](C)[NH3+] 43346104 167145058 /nfs/dbraw/zinc/14/50/58/167145058.db2.gz FYYGRDUZKXIBPS-MWLCHTKSSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] 43364006 167145109 /nfs/dbraw/zinc/14/51/09/167145109.db2.gz BXHMXLIHETXIHH-MWLCHTKSSA-N 2 2 196.294 1.928 10 0 ADAELP CC[N@@H+](C)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] 43364006 167145112 /nfs/dbraw/zinc/14/51/12/167145112.db2.gz BXHMXLIHETXIHH-MWLCHTKSSA-N 2 2 196.294 1.928 10 0 ADAELP CC[N@H+](C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 37078992 167145455 /nfs/dbraw/zinc/14/54/55/167145455.db2.gz RJXGYBGOGVJTEB-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 37078992 167145456 /nfs/dbraw/zinc/14/54/56/167145456.db2.gz RJXGYBGOGVJTEB-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C)C[C@@H]1CCCC[NH2+]1 34327150 167145503 /nfs/dbraw/zinc/14/55/03/167145503.db2.gz SOXUTBUTHHYHOS-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CC[N@@H+](C)C[C@@H]1CCCC[NH2+]1 34327150 167145506 /nfs/dbraw/zinc/14/55/06/167145506.db2.gz SOXUTBUTHHYHOS-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccccc1 20225398 167145633 /nfs/dbraw/zinc/14/56/33/167145633.db2.gz USSXCRVKMMCCRS-NSHDSACASA-N 2 2 178.279 1.638 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccccc1 20225398 167145636 /nfs/dbraw/zinc/14/56/36/167145636.db2.gz USSXCRVKMMCCRS-NSHDSACASA-N 2 2 178.279 1.638 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccsc1 37078404 167145845 /nfs/dbraw/zinc/14/58/45/167145845.db2.gz WONBYSXTAPJZFV-VIFPVBQESA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccsc1 37078404 167145847 /nfs/dbraw/zinc/14/58/47/167145847.db2.gz WONBYSXTAPJZFV-VIFPVBQESA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@H+](C)C[C@H]1CCCC[NH2+]1 34327152 167145995 /nfs/dbraw/zinc/14/59/95/167145995.db2.gz SOXUTBUTHHYHOS-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CC[N@@H+](C)C[C@H]1CCCC[NH2+]1 34327152 167145997 /nfs/dbraw/zinc/14/59/97/167145997.db2.gz SOXUTBUTHHYHOS-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CC[N@H+](C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] 43339067 167146011 /nfs/dbraw/zinc/14/60/11/167146011.db2.gz PDKHKFAXCWOLJF-MWLCHTKSSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] 43339067 167146013 /nfs/dbraw/zinc/14/60/13/167146013.db2.gz PDKHKFAXCWOLJF-MWLCHTKSSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@@H](c1ccncc1)[C@@H](C)[NH3+] 43353251 167146178 /nfs/dbraw/zinc/14/61/78/167146178.db2.gz CLJNFMNYYQJYLE-MWLCHTKSSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@@H](c1ccncc1)[C@@H](C)[NH3+] 43353251 167146181 /nfs/dbraw/zinc/14/61/81/167146181.db2.gz CLJNFMNYYQJYLE-MWLCHTKSSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccccc1C 20225458 167146380 /nfs/dbraw/zinc/14/63/80/167146380.db2.gz WGDDJQTXBWGWRQ-LBPRGKRZSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccccc1C 20225458 167146383 /nfs/dbraw/zinc/14/63/83/167146383.db2.gz WGDDJQTXBWGWRQ-LBPRGKRZSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 37078414 167147058 /nfs/dbraw/zinc/14/70/58/167147058.db2.gz RIQDILPFZPMTSG-NSHDSACASA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@@H+](C)[C@@H](C[NH3+])c1cccc(F)c1 37078414 167147063 /nfs/dbraw/zinc/14/70/63/167147063.db2.gz RIQDILPFZPMTSG-NSHDSACASA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@H+](C)Cc1csc(C[NH3+])n1 52446150 167147395 /nfs/dbraw/zinc/14/73/95/167147395.db2.gz WGOJOAPLTVTOLZ-UHFFFAOYSA-N 2 2 185.296 1.054 10 0 ADAELP CC[N@@H+](C)Cc1csc(C[NH3+])n1 52446150 167147397 /nfs/dbraw/zinc/14/73/97/167147397.db2.gz WGOJOAPLTVTOLZ-UHFFFAOYSA-N 2 2 185.296 1.054 10 0 ADAELP CC[N@H+](C)Cc1cccc2[nH+]ccn12 336376276 167147459 /nfs/dbraw/zinc/14/74/59/167147459.db2.gz GKKYXTZTHDIXHI-UHFFFAOYSA-N 2 2 189.262 1.786 10 0 ADAELP CC[N@@H+](C)Cc1cccc2[nH+]ccn12 336376276 167147462 /nfs/dbraw/zinc/14/74/62/167147462.db2.gz GKKYXTZTHDIXHI-UHFFFAOYSA-N 2 2 189.262 1.786 10 0 ADAELP CC[N@H+](C)[C@H](c1cccnc1)[C@@H](C)[NH3+] 43346106 167148620 /nfs/dbraw/zinc/14/86/20/167148620.db2.gz FYYGRDUZKXIBPS-KOLCDFICSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@H](c1cccnc1)[C@@H](C)[NH3+] 43346106 167148622 /nfs/dbraw/zinc/14/86/22/167148622.db2.gz FYYGRDUZKXIBPS-KOLCDFICSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1cccc(C)c1 20225513 167148920 /nfs/dbraw/zinc/14/89/20/167148920.db2.gz YBQNTWOQEJICDN-GFCCVEGCSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1cccc(C)c1 20225513 167148921 /nfs/dbraw/zinc/14/89/21/167148921.db2.gz YBQNTWOQEJICDN-GFCCVEGCSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1ccccc1C 20225459 167149044 /nfs/dbraw/zinc/14/90/44/167149044.db2.gz WGDDJQTXBWGWRQ-GFCCVEGCSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccccc1C 20225459 167149048 /nfs/dbraw/zinc/14/90/48/167149048.db2.gz WGDDJQTXBWGWRQ-GFCCVEGCSA-N 2 2 192.306 1.947 10 0 ADAELP CCN(C)c1[nH+]c(C)cc(C)c1C[NH3+] 40509375 167149089 /nfs/dbraw/zinc/14/90/89/167149089.db2.gz NPICBAICFJNBAH-UHFFFAOYSA-N 2 2 193.294 1.613 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1ccc(C)cc1 20225569 167149167 /nfs/dbraw/zinc/14/91/67/167149167.db2.gz HZWABPGECXAUPW-GFCCVEGCSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccc(C)cc1 20225569 167149169 /nfs/dbraw/zinc/14/91/69/167149169.db2.gz HZWABPGECXAUPW-GFCCVEGCSA-N 2 2 192.306 1.947 10 0 ADAELP CC[N@H+](C)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] 43364007 167149501 /nfs/dbraw/zinc/14/95/01/167149501.db2.gz BXHMXLIHETXIHH-KOLCDFICSA-N 2 2 196.294 1.928 10 0 ADAELP CC[N@@H+](C)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] 43364007 167149504 /nfs/dbraw/zinc/14/95/04/167149504.db2.gz BXHMXLIHETXIHH-KOLCDFICSA-N 2 2 196.294 1.928 10 0 ADAELP CC[N@H+](C)[C@H](c1ccccn1)[C@@H](C)[NH3+] 43339068 167150802 /nfs/dbraw/zinc/15/08/02/167150802.db2.gz PDKHKFAXCWOLJF-KOLCDFICSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@H](c1ccccn1)[C@@H](C)[NH3+] 43339068 167150804 /nfs/dbraw/zinc/15/08/04/167150804.db2.gz PDKHKFAXCWOLJF-KOLCDFICSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1cccs1 20225337 167150835 /nfs/dbraw/zinc/15/08/35/167150835.db2.gz DPNTWBFSTNAOQA-MRVPVSSYSA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1cccs1 20225337 167150836 /nfs/dbraw/zinc/15/08/36/167150836.db2.gz DPNTWBFSTNAOQA-MRVPVSSYSA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 20225675 167151038 /nfs/dbraw/zinc/15/10/38/167151038.db2.gz GEOIDSLAHYUWBH-LLVKDONJSA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 20225675 167151041 /nfs/dbraw/zinc/15/10/41/167151041.db2.gz GEOIDSLAHYUWBH-LLVKDONJSA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@H+](C)[C@H](c1ccncc1)[C@@H](C)[NH3+] 43353252 167151066 /nfs/dbraw/zinc/15/10/66/167151066.db2.gz CLJNFMNYYQJYLE-KOLCDFICSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@@H+](C)[C@H](c1ccncc1)[C@@H](C)[NH3+] 43353252 167151067 /nfs/dbraw/zinc/15/10/67/167151067.db2.gz CLJNFMNYYQJYLE-KOLCDFICSA-N 2 2 193.294 1.422 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1ccsc1 37078405 167151217 /nfs/dbraw/zinc/15/12/17/167151217.db2.gz WONBYSXTAPJZFV-SECBINFHSA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccsc1 37078405 167151220 /nfs/dbraw/zinc/15/12/20/167151220.db2.gz WONBYSXTAPJZFV-SECBINFHSA-N 2 2 184.308 1.700 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1ccccc1 20225399 167151408 /nfs/dbraw/zinc/15/14/08/167151408.db2.gz USSXCRVKMMCCRS-LLVKDONJSA-N 2 2 178.279 1.638 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccccc1 20225399 167151411 /nfs/dbraw/zinc/15/14/11/167151411.db2.gz USSXCRVKMMCCRS-LLVKDONJSA-N 2 2 178.279 1.638 10 0 ADAELP CC[N@H+](C)[C@H](C[NH3+])c1cccc(F)c1 37078415 167151765 /nfs/dbraw/zinc/15/17/65/167151765.db2.gz RIQDILPFZPMTSG-LLVKDONJSA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@@H+](C)[C@H](C[NH3+])c1cccc(F)c1 37078415 167151768 /nfs/dbraw/zinc/15/17/68/167151768.db2.gz RIQDILPFZPMTSG-LLVKDONJSA-N 2 2 196.269 1.777 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@@H](C)[C@@H](C)[NH3+] 41053820 167153468 /nfs/dbraw/zinc/15/34/68/167153468.db2.gz AYUYUBDOKMBCRW-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C1CCCC1)[C@@H](C)[C@@H](C)[NH3+] 41053820 167153470 /nfs/dbraw/zinc/15/34/70/167153470.db2.gz AYUYUBDOKMBCRW-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C1CCCC1)[C@@H]1CC[NH2+]C1 51783055 167154753 /nfs/dbraw/zinc/15/47/53/167154753.db2.gz NPNFDILUMHDBAO-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@@H]1CC[NH2+]C1 51783055 167154757 /nfs/dbraw/zinc/15/47/57/167154757.db2.gz NPNFDILUMHDBAO-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+](C1CCCC1)[C@H]1CC[NH2+]C1 51783057 167155102 /nfs/dbraw/zinc/15/51/02/167155102.db2.gz NPNFDILUMHDBAO-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@H]1CC[NH2+]C1 51783057 167155105 /nfs/dbraw/zinc/15/51/05/167155105.db2.gz NPNFDILUMHDBAO-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@H](C)[C@@H](C)[NH3+] 41053821 167155511 /nfs/dbraw/zinc/15/55/11/167155511.db2.gz AYUYUBDOKMBCRW-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C1CCCC1)[C@H](C)[C@@H](C)[NH3+] 41053821 167155512 /nfs/dbraw/zinc/15/55/12/167155512.db2.gz AYUYUBDOKMBCRW-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H](C)[C@@H](C)[NH2+]C 43888056 167156218 /nfs/dbraw/zinc/15/62/18/167156218.db2.gz SASIZWZVUDNWIM-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H](C)[C@@H](C)[NH2+]C 43888056 167156219 /nfs/dbraw/zinc/15/62/19/167156219.db2.gz SASIZWZVUDNWIM-MNOVXSKESA-N 2 2 186.343 1.961 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 37246929 167156809 /nfs/dbraw/zinc/15/68/09/167156809.db2.gz XAJUISQMPKYSLW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 37246929 167156810 /nfs/dbraw/zinc/15/68/10/167156810.db2.gz XAJUISQMPKYSLW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+](CC(C)(C)[NH3+])C1CCCC1 40925934 167157341 /nfs/dbraw/zinc/15/73/41/167157341.db2.gz ABDQOCLBEKAIDW-UHFFFAOYSA-N 2 2 184.327 1.988 10 0 ADAELP CC[N@@H+](CC(C)(C)[NH3+])C1CCCC1 40925934 167157345 /nfs/dbraw/zinc/15/73/45/167157345.db2.gz ABDQOCLBEKAIDW-UHFFFAOYSA-N 2 2 184.327 1.988 10 0 ADAELP CC[N@H+](CC(C)C)[C@H](C)[C@@H](C)[NH2+]C 43888058 167157377 /nfs/dbraw/zinc/15/73/77/167157377.db2.gz SASIZWZVUDNWIM-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[N@@H+](CC(C)C)[C@H](C)[C@@H](C)[NH2+]C 43888058 167157379 /nfs/dbraw/zinc/15/73/79/167157379.db2.gz SASIZWZVUDNWIM-GHMZBOCLSA-N 2 2 186.343 1.961 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H]1CCC[C@@H]1[NH3+] 37111385 167158208 /nfs/dbraw/zinc/15/82/08/167158208.db2.gz LMIFBUOUTKZJMV-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H]1CCC[C@@H]1[NH3+] 37111385 167158209 /nfs/dbraw/zinc/15/82/09/167158209.db2.gz LMIFBUOUTKZJMV-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@H+](CC(C)C)[C@H]1CCC[NH2+]C1 37246931 167158427 /nfs/dbraw/zinc/15/84/27/167158427.db2.gz XAJUISQMPKYSLW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](CC(C)C)[C@H]1CCC[NH2+]C1 37246931 167158428 /nfs/dbraw/zinc/15/84/28/167158428.db2.gz XAJUISQMPKYSLW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+](CC(C)C)[C@H]1CCC[C@@H]1[NH3+] 37111386 167158867 /nfs/dbraw/zinc/15/88/67/167158867.db2.gz LMIFBUOUTKZJMV-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@@H+](CC(C)C)[C@H]1CCC[C@@H]1[NH3+] 37111386 167158868 /nfs/dbraw/zinc/15/88/68/167158868.db2.gz LMIFBUOUTKZJMV-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC[N@H+](CC(C)C)[C@H](C)[C@@H](C)[NH3+] 41053809 167159157 /nfs/dbraw/zinc/15/91/57/167159157.db2.gz ODUQMORZJTUIDX-NXEZZACHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[N@@H+](CC(C)C)[C@H](C)[C@@H](C)[NH3+] 41053809 167159159 /nfs/dbraw/zinc/15/91/59/167159159.db2.gz ODUQMORZJTUIDX-NXEZZACHSA-N 2 2 172.316 1.700 10 0 ADAELP CC[N@H+](CC(C)C)[C@@H](C)[C@@H](C)[NH3+] 41053808 167159499 /nfs/dbraw/zinc/15/94/99/167159499.db2.gz ODUQMORZJTUIDX-ZJUUUORDSA-N 2 2 172.316 1.700 10 0 ADAELP CC[N@@H+](CC(C)C)[C@@H](C)[C@@H](C)[NH3+] 41053808 167159503 /nfs/dbraw/zinc/15/95/03/167159503.db2.gz ODUQMORZJTUIDX-ZJUUUORDSA-N 2 2 172.316 1.700 10 0 ADAELP CC[NH+](CC)C1CC[NH+](C)CC1 73652766 167163054 /nfs/dbraw/zinc/16/30/54/167163054.db2.gz CWMVIBRIOSFIIE-UHFFFAOYSA-N 2 2 170.300 1.422 10 0 ADAELP CC[NH+](CC)C1CC[NH+](C2CC2)CC1 73653380 167163266 /nfs/dbraw/zinc/16/32/66/167163266.db2.gz TVEJFKMJAZXBSZ-UHFFFAOYSA-N 2 2 196.338 1.955 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@@H]1C 52288244 167165423 /nfs/dbraw/zinc/16/54/23/167165423.db2.gz GYUINODFZFBQLE-VHSXEESVSA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH+](CC)CC[NH2+]CC(C)(C)C 41043302 167165479 /nfs/dbraw/zinc/16/54/79/167165479.db2.gz TYKPTHSCSWCYEU-UHFFFAOYSA-N 2 2 186.343 1.964 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H]1C 52288249 167165653 /nfs/dbraw/zinc/16/56/53/167165653.db2.gz GYUINODFZFBQLE-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH+](CC)CC[NH2+]C1CC1 19276312 167166464 /nfs/dbraw/zinc/16/64/64/167166464.db2.gz KMVOUNJZHRAWJB-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H]1C[C@H]1C 52288252 167167139 /nfs/dbraw/zinc/16/71/39/167167139.db2.gz GYUINODFZFBQLE-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H]1C[C@@H]1C 52288246 167167219 /nfs/dbraw/zinc/16/72/19/167167219.db2.gz GYUINODFZFBQLE-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[NH+](CC)CC[NH2+]CC1CC1 20037433 167167466 /nfs/dbraw/zinc/16/74/66/167167466.db2.gz JEDUJDAFDICIDV-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CC[NH+](CC)CC[NH2+]CCC(C)C 19919247 167167663 /nfs/dbraw/zinc/16/76/63/167167663.db2.gz FMPQOCGWBPNPJW-UHFFFAOYSA-N 2 2 186.343 1.964 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H]1CC1(C)C 45134212 167167890 /nfs/dbraw/zinc/16/78/90/167167890.db2.gz SICWSXWSUUMOHR-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1CC1(C)C 45134211 167168397 /nfs/dbraw/zinc/16/83/97/167168397.db2.gz SICWSXWSUUMOHR-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1cccnc1 22163239 167172026 /nfs/dbraw/zinc/17/20/26/167172026.db2.gz JGMAHBNVIAAONL-LLVKDONJSA-N 2 2 193.294 1.423 10 0 ADAELP CC[NH+](CC)[C@@H]1CCCCC[C@H]1[NH3+] 23067507 167172063 /nfs/dbraw/zinc/17/20/63/167172063.db2.gz RRKMZVXKPONLNC-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC[NH+](CC)[C@H]1CCCCC[C@H]1[NH3+] 23067509 167172297 /nfs/dbraw/zinc/17/22/97/167172297.db2.gz RRKMZVXKPONLNC-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CC[NH+](CC)[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] 22562432 167172352 /nfs/dbraw/zinc/17/23/52/167172352.db2.gz UHAUGOVLKRDWKI-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1ccncc1 32021101 167172739 /nfs/dbraw/zinc/17/27/39/167172739.db2.gz GJPVHEZJOBPKGW-LLVKDONJSA-N 2 2 193.294 1.423 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc(C)o1 22168927 167173102 /nfs/dbraw/zinc/17/31/02/167173102.db2.gz ZJLGCXCRRSQHEZ-SNVBAGLBSA-N 2 2 196.294 1.930 10 0 ADAELP CC[NH+](CC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 22562437 167173145 /nfs/dbraw/zinc/17/31/45/167173145.db2.gz UHAUGOVLKRDWKI-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH+](CC)[C@H]1CCCCC[C@@H]1[NH3+] 23067505 167173340 /nfs/dbraw/zinc/17/33/40/167173340.db2.gz RRKMZVXKPONLNC-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CC[NH+](CC)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 22562441 167173821 /nfs/dbraw/zinc/17/38/21/167173821.db2.gz UHAUGOVLKRDWKI-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP CC[NH+](CC)[C@H](C[NH3+])c1ccccn1 19267636 167174349 /nfs/dbraw/zinc/17/43/49/167174349.db2.gz UPOOJLFZJXBAMB-LLVKDONJSA-N 2 2 193.294 1.423 10 0 ADAELP CC[NH+](CC)[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] 22562427 167174658 /nfs/dbraw/zinc/17/46/58/167174658.db2.gz UHAUGOVLKRDWKI-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CCN(CC)c1cc[nH+]c(C[NH3+])c1 51396132 167176594 /nfs/dbraw/zinc/17/65/94/167176594.db2.gz UVFKWXGNSCIKHI-UHFFFAOYSA-N 2 2 179.267 1.387 10 0 ADAELP CC[N@H+](CC1([NH3+])CCCC1)C(C)C 37479599 167176704 /nfs/dbraw/zinc/17/67/04/167176704.db2.gz XWSDZZRKPWKISC-UHFFFAOYSA-N 2 2 184.327 1.988 10 0 ADAELP CC[N@@H+](CC1([NH3+])CCCC1)C(C)C 37479599 167176705 /nfs/dbraw/zinc/17/67/05/167176705.db2.gz XWSDZZRKPWKISC-UHFFFAOYSA-N 2 2 184.327 1.988 10 0 ADAELP CCN(CCC(N)=[NH2+])c1cccc[nH+]1 42453139 167178416 /nfs/dbraw/zinc/17/84/16/167178416.db2.gz JNNNDQXOAVLZMF-UHFFFAOYSA-N 2 2 192.266 1.234 10 0 ADAELP CC[N@H+](CCC[NH2+]C)Cc1ccco1 42445907 167181647 /nfs/dbraw/zinc/18/16/47/167181647.db2.gz JZYWEYLKKIOEQB-UHFFFAOYSA-N 2 2 196.294 1.711 10 0 ADAELP CC[N@@H+](CCC[NH2+]C)Cc1ccco1 42445907 167181651 /nfs/dbraw/zinc/18/16/51/167181651.db2.gz JZYWEYLKKIOEQB-UHFFFAOYSA-N 2 2 196.294 1.711 10 0 ADAELP CC[N@H+](CC[NH2+]C)Cc1ccccc1 19685468 167183522 /nfs/dbraw/zinc/18/35/22/167183522.db2.gz WXBDJUUXWALKCE-UHFFFAOYSA-N 2 2 192.306 1.728 10 0 ADAELP CC[N@@H+](CC[NH2+]C)Cc1ccccc1 19685468 167183527 /nfs/dbraw/zinc/18/35/27/167183527.db2.gz WXBDJUUXWALKCE-UHFFFAOYSA-N 2 2 192.306 1.728 10 0 ADAELP CC[N@H+](C[C@@H](C)[NH2+]C)C1CC1 43821381 167187769 /nfs/dbraw/zinc/18/77/69/167187769.db2.gz UWDRCSVSEXJBNE-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@@H+](C[C@@H](C)[NH2+]C)C1CC1 43821381 167187771 /nfs/dbraw/zinc/18/77/71/167187771.db2.gz UWDRCSVSEXJBNE-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@H+](C[C@@H](C)[NH3+])C1CCCC1 35765797 167189329 /nfs/dbraw/zinc/18/93/29/167189329.db2.gz VWDBZKSCZABICR-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CC[N@@H+](C[C@@H](C)[NH3+])C1CCCC1 35765797 167189332 /nfs/dbraw/zinc/18/93/32/167189332.db2.gz VWDBZKSCZABICR-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CC[N@H+](Cc1ccccc1)[C@@H](C)C[NH3+] 20226736 167191001 /nfs/dbraw/zinc/19/10/01/167191001.db2.gz SDYMUYPDDTVBKG-NSHDSACASA-N 2 2 192.306 1.856 10 0 ADAELP CC[N@@H+](Cc1ccccc1)[C@@H](C)C[NH3+] 20226736 167191004 /nfs/dbraw/zinc/19/10/04/167191004.db2.gz SDYMUYPDDTVBKG-NSHDSACASA-N 2 2 192.306 1.856 10 0 ADAELP CC[N@H+](Cc1ccco1)C(C)(C)C[NH3+] 42445540 167191236 /nfs/dbraw/zinc/19/12/36/167191236.db2.gz COJUFTPYNPNODS-UHFFFAOYSA-N 2 2 196.294 1.839 10 0 ADAELP CC[N@@H+](Cc1ccco1)C(C)(C)C[NH3+] 42445540 167191238 /nfs/dbraw/zinc/19/12/38/167191238.db2.gz COJUFTPYNPNODS-UHFFFAOYSA-N 2 2 196.294 1.839 10 0 ADAELP CC[N@H+](Cc1ccco1)[C@H](C)C[NH3+] 42445488 167191275 /nfs/dbraw/zinc/19/12/75/167191275.db2.gz RZAWQEFYVKGQJK-SECBINFHSA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@@H+](Cc1ccco1)[C@H](C)C[NH3+] 42445488 167191278 /nfs/dbraw/zinc/19/12/78/167191278.db2.gz RZAWQEFYVKGQJK-SECBINFHSA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@H+](Cc1ccco1)CC(C)(C)[NH3+] 42446003 167191757 /nfs/dbraw/zinc/19/17/57/167191757.db2.gz QCRBKTWYOAAANO-UHFFFAOYSA-N 2 2 196.294 1.839 10 0 ADAELP CC[N@@H+](Cc1ccco1)CC(C)(C)[NH3+] 42446003 167191762 /nfs/dbraw/zinc/19/17/62/167191762.db2.gz QCRBKTWYOAAANO-UHFFFAOYSA-N 2 2 196.294 1.839 10 0 ADAELP CC[N@H+](Cc1ccncc1)[C@H](C)C[NH3+] 42515389 167192162 /nfs/dbraw/zinc/19/21/62/167192162.db2.gz LEXPZDZNTKAUSQ-SNVBAGLBSA-N 2 2 193.294 1.251 10 0 ADAELP CC[N@@H+](Cc1ccncc1)[C@H](C)C[NH3+] 42515389 167192165 /nfs/dbraw/zinc/19/21/65/167192165.db2.gz LEXPZDZNTKAUSQ-SNVBAGLBSA-N 2 2 193.294 1.251 10 0 ADAELP CC[N@@H+](Cc1ccco1)C[C@@H](C)[NH3+] 42445991 167192208 /nfs/dbraw/zinc/19/22/08/167192208.db2.gz LNVMFFJUKNCLEI-SECBINFHSA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@H+](Cc1ccco1)C[C@@H](C)[NH3+] 42445991 167192210 /nfs/dbraw/zinc/19/22/10/167192210.db2.gz LNVMFFJUKNCLEI-SECBINFHSA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@H+](C[C@H]1CCCC[NH2+]1)C1CC1 37080163 167192528 /nfs/dbraw/zinc/19/25/28/167192528.db2.gz FHYLCVSBOPZAMU-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@@H+](C[C@H]1CCCC[NH2+]1)C1CC1 37080163 167192532 /nfs/dbraw/zinc/19/25/32/167192532.db2.gz FHYLCVSBOPZAMU-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+](Cc1ccncc1)[C@@H](C)C[NH3+] 42515388 167192582 /nfs/dbraw/zinc/19/25/82/167192582.db2.gz LEXPZDZNTKAUSQ-JTQLQIEISA-N 2 2 193.294 1.251 10 0 ADAELP CC[N@@H+](Cc1ccncc1)[C@@H](C)C[NH3+] 42515388 167192585 /nfs/dbraw/zinc/19/25/85/167192585.db2.gz LEXPZDZNTKAUSQ-JTQLQIEISA-N 2 2 193.294 1.251 10 0 ADAELP CC[N@H+](C[C@H](C)[NH3+])C1CCCC1 35765799 167192733 /nfs/dbraw/zinc/19/27/33/167192733.db2.gz VWDBZKSCZABICR-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP CC[N@@H+](C[C@H](C)[NH3+])C1CCCC1 35765799 167192736 /nfs/dbraw/zinc/19/27/36/167192736.db2.gz VWDBZKSCZABICR-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP CC[N@H+](Cc1cccs1)[C@@H](C)C[NH3+] 42473236 167193256 /nfs/dbraw/zinc/19/32/56/167193256.db2.gz PACJQHSVDZGMEW-VIFPVBQESA-N 2 2 198.335 1.917 10 0 ADAELP CC[N@@H+](Cc1cccs1)[C@@H](C)C[NH3+] 42473236 167193259 /nfs/dbraw/zinc/19/32/59/167193259.db2.gz PACJQHSVDZGMEW-VIFPVBQESA-N 2 2 198.335 1.917 10 0 ADAELP CC[N@H+](Cc1ccccc1)[C@H](C)C[NH3+] 20226737 167193458 /nfs/dbraw/zinc/19/34/58/167193458.db2.gz SDYMUYPDDTVBKG-LLVKDONJSA-N 2 2 192.306 1.856 10 0 ADAELP CC[N@@H+](Cc1ccccc1)[C@H](C)C[NH3+] 20226737 167193462 /nfs/dbraw/zinc/19/34/62/167193462.db2.gz SDYMUYPDDTVBKG-LLVKDONJSA-N 2 2 192.306 1.856 10 0 ADAELP CC[N@H+](Cc1ccco1)[C@@H](C)C[NH3+] 42445486 167193578 /nfs/dbraw/zinc/19/35/78/167193578.db2.gz RZAWQEFYVKGQJK-VIFPVBQESA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@@H+](Cc1ccco1)[C@@H](C)C[NH3+] 42445486 167193579 /nfs/dbraw/zinc/19/35/79/167193579.db2.gz RZAWQEFYVKGQJK-VIFPVBQESA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@@H+](Cc1ccco1)C[C@H](C)[NH3+] 42445993 167194353 /nfs/dbraw/zinc/19/43/53/167194353.db2.gz LNVMFFJUKNCLEI-VIFPVBQESA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@H+](Cc1ccco1)C[C@H](C)[NH3+] 42445993 167194357 /nfs/dbraw/zinc/19/43/57/167194357.db2.gz LNVMFFJUKNCLEI-VIFPVBQESA-N 2 2 182.267 1.449 10 0 ADAELP CC[N@H+](C[C@H](C)[NH2+]C)C1CC1 43821384 167194512 /nfs/dbraw/zinc/19/45/12/167194512.db2.gz UWDRCSVSEXJBNE-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@@H+](C[C@H](C)[NH2+]C)C1CC1 43821384 167194514 /nfs/dbraw/zinc/19/45/14/167194514.db2.gz UWDRCSVSEXJBNE-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@H+](Cc1cccs1)[C@H](C)C[NH3+] 42473238 167194810 /nfs/dbraw/zinc/19/48/10/167194810.db2.gz PACJQHSVDZGMEW-SECBINFHSA-N 2 2 198.335 1.917 10 0 ADAELP CC[N@@H+](Cc1cccs1)[C@H](C)C[NH3+] 42473238 167194812 /nfs/dbraw/zinc/19/48/12/167194812.db2.gz PACJQHSVDZGMEW-SECBINFHSA-N 2 2 198.335 1.917 10 0 ADAELP CC[N@H+](C[C@@H]1CCCC[NH2+]1)C1CC1 37080162 167194828 /nfs/dbraw/zinc/19/48/28/167194828.db2.gz FHYLCVSBOPZAMU-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@@H+](C[C@@H]1CCCC[NH2+]1)C1CC1 37080162 167194830 /nfs/dbraw/zinc/19/48/30/167194830.db2.gz FHYLCVSBOPZAMU-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCN(c1cc[nH+]c(C[NH3+])c1)C(C)C 51396644 167194982 /nfs/dbraw/zinc/19/49/82/167194982.db2.gz BKKFTTQNRBOUTC-UHFFFAOYSA-N 2 2 193.294 1.775 10 0 ADAELP CCN(c1cc[nH+]c(C[NH3+])c1)C1CC1 51396725 167195666 /nfs/dbraw/zinc/19/56/66/167195666.db2.gz LWXZVUMRXSXWGB-UHFFFAOYSA-N 2 2 191.278 1.529 10 0 ADAELP CC[NH+]1CCC(=Cc2c[nH]c[nH+]2)CC1 13612842 167200330 /nfs/dbraw/zinc/20/03/30/167200330.db2.gz GNEZRTQDFCRQHS-UHFFFAOYSA-N 2 2 191.278 1.909 10 0 ADAELP CC[N@@H+]1CCC[NH2+]C[C@@H]1CC(C)C 62567170 167200714 /nfs/dbraw/zinc/20/07/14/167200714.db2.gz SLEKHDQKTKAPGW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+]1CCC[NH2+]C[C@@H]1CC(C)C 62567170 167200716 /nfs/dbraw/zinc/20/07/16/167200716.db2.gz SLEKHDQKTKAPGW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 336552859 167201132 /nfs/dbraw/zinc/20/11/32/167201132.db2.gz HNFSOIOXJXVWKN-UHFFFAOYSA-N 2 2 179.267 1.609 10 0 ADAELP CC[N@@H+]1CCC[NH2+]C[C@@H]1c1ccco1 71506795 167201252 /nfs/dbraw/zinc/20/12/52/167201252.db2.gz OKXYSDRIAMDBLV-SNVBAGLBSA-N 2 2 194.278 1.636 10 0 ADAELP CC[N@H+]1CCC[NH2+]C[C@@H]1c1ccco1 71506795 167201257 /nfs/dbraw/zinc/20/12/57/167201257.db2.gz OKXYSDRIAMDBLV-SNVBAGLBSA-N 2 2 194.278 1.636 10 0 ADAELP CC[N@@H+]1CCC[NH2+]C[C@H]1CC(C)C 62567172 167202029 /nfs/dbraw/zinc/20/20/29/167202029.db2.gz SLEKHDQKTKAPGW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+]1CCC[NH2+]C[C@H]1CC(C)C 62567172 167202030 /nfs/dbraw/zinc/20/20/30/167202030.db2.gz SLEKHDQKTKAPGW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+]1CCC[NH2+]C[C@H]1c1ccco1 71506796 167202723 /nfs/dbraw/zinc/20/27/23/167202723.db2.gz OKXYSDRIAMDBLV-JTQLQIEISA-N 2 2 194.278 1.636 10 0 ADAELP CC[N@H+]1CCC[NH2+]C[C@H]1c1ccco1 71506796 167202725 /nfs/dbraw/zinc/20/27/25/167202725.db2.gz OKXYSDRIAMDBLV-JTQLQIEISA-N 2 2 194.278 1.636 10 0 ADAELP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC1 53651979 167203203 /nfs/dbraw/zinc/20/32/03/167203203.db2.gz MBEAUXUAZLEIDY-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC1 53651979 167203205 /nfs/dbraw/zinc/20/32/05/167203205.db2.gz MBEAUXUAZLEIDY-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC1 53651977 167203410 /nfs/dbraw/zinc/20/34/10/167203410.db2.gz MBEAUXUAZLEIDY-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC1 53651977 167203411 /nfs/dbraw/zinc/20/34/11/167203411.db2.gz MBEAUXUAZLEIDY-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC[NH+]1CCC(Cc2c[nH]c[nH+]2)CC1 13612836 167204035 /nfs/dbraw/zinc/20/40/35/167204035.db2.gz JSGQEKDMZYNEIY-UHFFFAOYSA-N 2 2 193.294 1.684 10 0 ADAELP CC[NH+]1CCC(Cc2c[nH+]c[nH]2)CC1 13612836 167204036 /nfs/dbraw/zinc/20/40/36/167204036.db2.gz JSGQEKDMZYNEIY-UHFFFAOYSA-N 2 2 193.294 1.684 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH2+]C(C)(C)C)C1 73652063 167205518 /nfs/dbraw/zinc/20/55/18/167205518.db2.gz RBJMMXZGSZAMDU-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH2+]C(C)(C)C)C1 73652063 167205522 /nfs/dbraw/zinc/20/55/22/167205522.db2.gz RBJMMXZGSZAMDU-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC2)C1 44481877 167206592 /nfs/dbraw/zinc/20/65/92/167206592.db2.gz LBACISAUVWQYEJ-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC2)C1 44481877 167206593 /nfs/dbraw/zinc/20/65/93/167206593.db2.gz LBACISAUVWQYEJ-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH2+]CC(C)C)C1 40502097 167206991 /nfs/dbraw/zinc/20/69/91/167206991.db2.gz FZPFXJSEEAAZSW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH2+]CC(C)C)C1 40502097 167206997 /nfs/dbraw/zinc/20/69/97/167206997.db2.gz FZPFXJSEEAAZSW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C)C2)C1 231787675 167207237 /nfs/dbraw/zinc/20/72/37/167207237.db2.gz GIBHZIAFAMUSSR-CXQJBGSLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C)C2)C1 231787675 167207240 /nfs/dbraw/zinc/20/72/40/167207240.db2.gz GIBHZIAFAMUSSR-CXQJBGSLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)C)C1 73652066 167207324 /nfs/dbraw/zinc/20/73/24/167207324.db2.gz RBJMMXZGSZAMDU-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH2+]C(C)(C)C)C1 73652066 167207328 /nfs/dbraw/zinc/20/73/28/167207328.db2.gz RBJMMXZGSZAMDU-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC(C)C)C1 40502098 167207674 /nfs/dbraw/zinc/20/76/74/167207674.db2.gz FZPFXJSEEAAZSW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH2+]CC(C)C)C1 40502098 167207678 /nfs/dbraw/zinc/20/76/78/167207678.db2.gz FZPFXJSEEAAZSW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 70584362 167207805 /nfs/dbraw/zinc/20/78/05/167207805.db2.gz CWWYOGRRFXASPA-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 70584362 167207807 /nfs/dbraw/zinc/20/78/07/167207807.db2.gz CWWYOGRRFXASPA-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C2CC2)C1 40502203 167207844 /nfs/dbraw/zinc/20/78/44/167207844.db2.gz FAZAXMAOIUCBHY-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C2CC2)C1 40502203 167207847 /nfs/dbraw/zinc/20/78/47/167207847.db2.gz FAZAXMAOIUCBHY-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC2)C1 70584363 167207980 /nfs/dbraw/zinc/20/79/80/167207980.db2.gz CWWYOGRRFXASPA-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC2)C1 70584363 167207982 /nfs/dbraw/zinc/20/79/82/167207982.db2.gz 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UIQZKRWCITXTPR-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC[NH2+]CC[N@H+]1CCCC[C@H]1C 44380228 167266995 /nfs/dbraw/zinc/26/69/95/167266995.db2.gz UIQZKRWCITXTPR-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC[NH2+]CC[NH2+][C@H](C)Cc1ccco1 44651741 167267150 /nfs/dbraw/zinc/26/71/50/167267150.db2.gz KBPZZTUTGXQJCW-SNVBAGLBSA-N 2 2 196.294 1.410 10 0 ADAELP CC[NH2+]CC[N@@H+]1CCCSCC1 42308163 167267162 /nfs/dbraw/zinc/26/71/62/167267162.db2.gz HBHMVEKUEMVDRN-UHFFFAOYSA-N 2 2 188.340 1.035 10 0 ADAELP CC[NH2+]CC[N@H+]1CCCSCC1 42308163 167267164 /nfs/dbraw/zinc/26/71/64/167267164.db2.gz HBHMVEKUEMVDRN-UHFFFAOYSA-N 2 2 188.340 1.035 10 0 ADAELP CC[NH2+]CCn1cc[nH+]c1C(C)C 42410218 167269108 /nfs/dbraw/zinc/26/91/08/167269108.db2.gz ZJWYBMMHQOBHNR-UHFFFAOYSA-N 2 2 181.283 1.616 10 0 ADAELP CC[NH2+]C[C@@H](C)n1cc[nH+]c1 52575529 167269746 /nfs/dbraw/zinc/26/97/46/167269746.db2.gz YLPJXDKJTXAYCT-MRVPVSSYSA-N 2 2 153.229 1.054 10 0 ADAELP CC[NH2+]CCOc1cc[nH+]cc1 51868775 167269772 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ADAELP CC[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 40409306 167274689 /nfs/dbraw/zinc/27/46/89/167274689.db2.gz CVEBSGZINVJBJT-GFCCVEGCSA-N 2 2 190.290 1.310 10 0 ADAELP CC[NH2+]Cc1ccc2[nH+]c(C)[nH]c2c1 82588330 167275559 /nfs/dbraw/zinc/27/55/59/167275559.db2.gz SQKHTPHZWAPZQP-UHFFFAOYSA-N 2 2 189.262 1.981 10 0 ADAELP CC[NH2+]Cc1ccc2[nH]c(C)[nH+]c2c1 82588330 167275561 /nfs/dbraw/zinc/27/55/61/167275561.db2.gz SQKHTPHZWAPZQP-UHFFFAOYSA-N 2 2 189.262 1.981 10 0 ADAELP CC[NH2+]C[C@](C)([NH3+])c1ccccc1 52883396 167275802 /nfs/dbraw/zinc/27/58/02/167275802.db2.gz NBWVJUXRIWQLPA-NSHDSACASA-N 2 2 178.279 1.470 10 0 ADAELP CC[NH2+]Cc1ccn2cc[nH+]c2c1 36274042 167277792 /nfs/dbraw/zinc/27/77/92/167277792.db2.gz UUTQFOVTYRUSHM-UHFFFAOYSA-N 2 2 175.235 1.444 10 0 ADAELP CC[NH2+]Cc1ccn2cc(C)[nH+]c2c1 36274244 167278092 /nfs/dbraw/zinc/27/80/92/167278092.db2.gz ATHXMKSZIFKIOO-UHFFFAOYSA-N 2 2 189.262 1.752 10 0 ADAELP CC[NH2+]Cc1cnc(C[NH+](C)C)s1 41046556 167278218 /nfs/dbraw/zinc/27/82/18/167278218.db2.gz 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C[NH2+]C[C@@H](C(C)C)[N@H+]1CCC[C@@H](C)C1 52381059 168003391 /nfs/dbraw/zinc/00/33/91/168003391.db2.gz VLMYWFWCXZKUAK-NEPJUHHUSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]CCn1cc[nH+]c1C(C)C 42410214 168003464 /nfs/dbraw/zinc/00/34/64/168003464.db2.gz DKEIYCNHWHTLOE-UHFFFAOYSA-N 2 2 167.256 1.226 10 0 ADAELP C[NH2+]C[C@@H](C)[NH+]1CCCCCCC1 52424842 168004043 /nfs/dbraw/zinc/00/40/43/168004043.db2.gz SXGMOEMLUPDZQP-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP C[NH2+]CCn1c(C)[nH+]c2ccccc21 42226228 168004135 /nfs/dbraw/zinc/00/41/35/168004135.db2.gz NRFGEYCTGOSJIF-UHFFFAOYSA-N 2 2 189.262 1.564 10 0 ADAELP C[NH2+]CCc1[nH]c2ccc(C)cc2[nH+]1 43598750 168004156 /nfs/dbraw/zinc/00/41/56/168004156.db2.gz MNNNGGNGGWPODH-UHFFFAOYSA-N 2 2 189.262 1.633 10 0 ADAELP C[NH2+]CCc1[nH+]c2c(n1C)CCCC2 76121869 168004168 /nfs/dbraw/zinc/00/41/68/168004168.db2.gz XWHNJYFKOSLYAK-UHFFFAOYSA-N 2 2 193.294 1.061 10 0 ADAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CC[C@@H](C)C1 52484266 168004192 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166.224 1.068 10 0 ADAELP C[NH2+]C[C@@H]1CCCc2[nH+]cn(C)c21 76087507 168006782 /nfs/dbraw/zinc/00/67/82/168006782.db2.gz QPDYSLJCQBLHDR-QMMMGPOBSA-N 2 2 179.267 1.059 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@@H+]1CC(C)(C)C 39781773 168006845 /nfs/dbraw/zinc/00/68/45/168006845.db2.gz FNHHFLHKEIGSFZ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@H+]1CC(C)(C)C 39781773 168006847 /nfs/dbraw/zinc/00/68/47/168006847.db2.gz FNHHFLHKEIGSFZ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@@H]1CCCc2c1[nH+]cn2C 76087519 168007729 /nfs/dbraw/zinc/00/77/29/168007729.db2.gz UQDDTDRDUREXNW-QMMMGPOBSA-N 2 2 179.267 1.059 10 0 ADAELP C[NH2+]C[C@@H]1CCN(c2cccc[nH+]2)C1 70916422 168007928 /nfs/dbraw/zinc/00/79/28/168007928.db2.gz HYYOCSJVSSOBCL-JTQLQIEISA-N 2 2 191.278 1.127 10 0 ADAELP C[NH2+]C[C@@H]1[NH2+]CCc2cccc(C)c21 75640772 168009257 /nfs/dbraw/zinc/00/92/57/168009257.db2.gz PNYCHCGENLIXPX-NSHDSACASA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 52376809 168009359 /nfs/dbraw/zinc/00/93/59/168009359.db2.gz RWVGUWSWRLKFMZ-GFCCVEGCSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]C[C@H](C)[NH+]1CCCCCCC1 52424840 168009376 /nfs/dbraw/zinc/00/93/76/168009376.db2.gz SXGMOEMLUPDZQP-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP C[NH2+]C[C@H](C(C)C)n1cc[nH+]c1 52575579 168009511 /nfs/dbraw/zinc/00/95/11/168009511.db2.gz MYCHDIASJJSFPR-SECBINFHSA-N 2 2 167.256 1.300 10 0 ADAELP C[NH2+]C[C@@H]1[NH2+]CCc2ccc(C)cc21 83661918 168009520 /nfs/dbraw/zinc/00/95/20/168009520.db2.gz UJEKRPBXPARDJH-LBPRGKRZSA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]C[C@@](C)([NH3+])c1ccccc1 52883394 168009614 /nfs/dbraw/zinc/00/96/14/168009614.db2.gz WBDNQMSLKYYQOZ-SNVBAGLBSA-N 2 2 164.252 1.080 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCCSCC1 52370975 168009748 /nfs/dbraw/zinc/00/97/48/168009748.db2.gz QCZSGPRBPWLZOH-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCCSCC1 52370975 168009749 /nfs/dbraw/zinc/00/97/49/168009749.db2.gz QCZSGPRBPWLZOH-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]C[C@@H]1[NH2+]CCc2cc(C)ccc21 75640777 168009755 /nfs/dbraw/zinc/00/97/55/168009755.db2.gz MGVYJINMWOCRDX-LBPRGKRZSA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCCCC1 52421131 168009831 /nfs/dbraw/zinc/00/98/31/168009831.db2.gz PMSNZVUYGJEMNS-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+](C)[C@@H]1CCSC1 52453025 168009858 /nfs/dbraw/zinc/00/98/58/168009858.db2.gz VVXDYEPEMZZBSQ-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+](C)[C@@H]1CCSC1 52453025 168009860 /nfs/dbraw/zinc/00/98/60/168009860.db2.gz VVXDYEPEMZZBSQ-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]C[C@@H]1[NH2+]CCc2c(C)cccc21 83731665 168010107 /nfs/dbraw/zinc/01/01/07/168010107.db2.gz ANBUUDFNIGGRGO-LBPRGKRZSA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 43596140 168010146 /nfs/dbraw/zinc/01/01/46/168010146.db2.gz IYUKILLPQMGDAG-NSHDSACASA-N 2 2 176.263 1.093 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1ccccc1 27656976 168011149 /nfs/dbraw/zinc/01/11/49/168011149.db2.gz GFVIWRPEUHGPLZ-JTQLQIEISA-N 2 2 164.252 1.167 10 0 ADAELP C[NH2+]C[C@H](C)Oc1cc[nH+]cc1 51867018 168011307 /nfs/dbraw/zinc/01/13/07/168011307.db2.gz FVMZDHIXLVDGJR-QMMMGPOBSA-N 2 2 166.224 1.068 10 0 ADAELP C[NH2+]C[C@H](C)n1cc[nH+]c1C(C)C 53525317 168011576 /nfs/dbraw/zinc/01/15/76/168011576.db2.gz UZHAMTODDBSAJB-VIFPVBQESA-N 2 2 181.283 1.787 10 0 ADAELP C[NH2+]C[C@H](C)c1ccc2[nH]c[nH+]c2c1 82588328 168011684 /nfs/dbraw/zinc/01/16/84/168011684.db2.gz AWAWYJXPLGMYJV-QMMMGPOBSA-N 2 2 189.262 1.886 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@@H+]1CC(C)(C)C 39781772 168012423 /nfs/dbraw/zinc/01/24/23/168012423.db2.gz FNHHFLHKEIGSFZ-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@H+]1CC(C)(C)C 39781772 168012425 /nfs/dbraw/zinc/01/24/25/168012425.db2.gz FNHHFLHKEIGSFZ-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@H]1CCCC[N@@H+]1CC(C)C 42407726 168012687 /nfs/dbraw/zinc/01/26/87/168012687.db2.gz JTZGVDGAZUEZII-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@H]1CCCC[N@H+]1CC(C)C 42407726 168012690 /nfs/dbraw/zinc/01/26/90/168012690.db2.gz JTZGVDGAZUEZII-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 43596139 168013700 /nfs/dbraw/zinc/01/37/00/168013700.db2.gz IYUKILLPQMGDAG-LLVKDONJSA-N 2 2 176.263 1.093 10 0 ADAELP C[NH2+]C[C@H]1CCCc2c1[nH+]cn2C 76087521 168013705 /nfs/dbraw/zinc/01/37/05/168013705.db2.gz UQDDTDRDUREXNW-MRVPVSSYSA-N 2 2 179.267 1.059 10 0 ADAELP C[NH2+]C[C@](C)([NH3+])c1ccccc1 52883395 168013971 /nfs/dbraw/zinc/01/39/71/168013971.db2.gz WBDNQMSLKYYQOZ-JTQLQIEISA-N 2 2 164.252 1.080 10 0 ADAELP C[NH2+]C[C@H]1[NH2+]CCc2c(C)cccc21 83731663 168014068 /nfs/dbraw/zinc/01/40/68/168014068.db2.gz ANBUUDFNIGGRGO-GFCCVEGCSA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]C[C@H]1[NH2+]CCc2cc(C)ccc21 75640775 168014494 /nfs/dbraw/zinc/01/44/94/168014494.db2.gz MGVYJINMWOCRDX-GFCCVEGCSA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]C[C@H]1CCCc2[nH+]cn(C)c21 76087510 168014535 /nfs/dbraw/zinc/01/45/35/168014535.db2.gz QPDYSLJCQBLHDR-MRVPVSSYSA-N 2 2 179.267 1.059 10 0 ADAELP C[NH2+]C[C@H]1[NH2+]CCc2ccc(C)cc21 83661919 168014555 /nfs/dbraw/zinc/01/45/55/168014555.db2.gz UJEKRPBXPARDJH-GFCCVEGCSA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C 51436819 168014610 /nfs/dbraw/zinc/01/46/10/168014610.db2.gz OOOSHCCORYZQFG-UHFFFAOYSA-N 2 2 193.294 1.484 10 0 ADAELP C[NH2+]C[C@H]1CCN(c2cccc[nH+]2)C1 70916426 168014717 /nfs/dbraw/zinc/01/47/17/168014717.db2.gz HYYOCSJVSSOBCL-SNVBAGLBSA-N 2 2 191.278 1.127 10 0 ADAELP C[NH2+]C[C@H]1[NH2+]CCc2cccc(C)c21 75640773 168014774 /nfs/dbraw/zinc/01/47/74/168014774.db2.gz PNYCHCGENLIXPX-LLVKDONJSA-N 2 2 190.290 1.401 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C(C)C)[nH]1 62820892 168015439 /nfs/dbraw/zinc/01/54/39/168015439.db2.gz IUIMCWRUXSHRKJ-UHFFFAOYSA-N 2 2 153.229 1.253 10 0 ADAELP C[NH2+]Cc1ccc2[nH+]cc(C)n2c1 82868579 168017567 /nfs/dbraw/zinc/01/75/67/168017567.db2.gz UYYZDEBZZHSSAX-UHFFFAOYSA-N 2 2 175.235 1.362 10 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BAODLVUINLCJJP-UHFFFAOYSA-N 2 2 175.235 1.362 10 0 ADAELP C[NH2+]Cc1ccoc1Cn1cc[nH+]c1 52575372 168020338 /nfs/dbraw/zinc/02/03/38/168020338.db2.gz QTIJJABGICNANG-UHFFFAOYSA-N 2 2 191.234 1.244 10 0 ADAELP C[NH2+]Cc1ccn2c(C)c[nH+]c2c1 82868583 168020426 /nfs/dbraw/zinc/02/04/26/168020426.db2.gz KXWJNDDIZLMOHB-UHFFFAOYSA-N 2 2 175.235 1.362 10 0 ADAELP C[NH2+]Cc1cccn2cc[nH+]c12 82850311 168020647 /nfs/dbraw/zinc/02/06/47/168020647.db2.gz ZMYCLNWDTOEHQS-UHFFFAOYSA-N 2 2 161.208 1.054 10 0 ADAELP C[NH2+]Cc1c[nH+]ccc1N1CCCC1 83278062 168020963 /nfs/dbraw/zinc/02/09/63/168020963.db2.gz BFQKXESNUANMOO-UHFFFAOYSA-N 2 2 191.278 1.401 10 0 ADAELP C[NH2+]Cc1ccccc1-n1cc[nH+]c1 34825245 168021190 /nfs/dbraw/zinc/02/11/90/168021190.db2.gz PNHGVWLUKCSYFW-UHFFFAOYSA-N 2 2 187.246 1.592 10 0 ADAELP C[NH2+]Cc1coc(Cn2cc[nH+]c2)c1 52575445 168022720 /nfs/dbraw/zinc/02/27/20/168022720.db2.gz RXWCWNXLNMIBCT-UHFFFAOYSA-N 2 2 191.234 1.244 10 0 ADAELP C[NH2+]Cc1occc1Cn1cc[nH+]c1 52575405 168025034 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1.033 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@H+](C)C1CCCC1 43883847 168032140 /nfs/dbraw/zinc/03/21/40/168032140.db2.gz MZYPMJVOMDQQDL-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 43883847 168032142 /nfs/dbraw/zinc/03/21/42/168032142.db2.gz MZYPMJVOMDQQDL-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@H+](C)C1CC1 43822960 168032206 /nfs/dbraw/zinc/03/22/06/168032206.db2.gz IYNGAOJWSYXCBJ-JGVFFNPUSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)C1CC1 43822960 168032209 /nfs/dbraw/zinc/03/22/09/168032209.db2.gz IYNGAOJWSYXCBJ-JGVFFNPUSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@@H](C)CCCn1cc[nH+]c1 45603821 168032460 /nfs/dbraw/zinc/03/24/60/168032460.db2.gz OWSYGLDVRRTADZ-VIFPVBQESA-N 2 2 167.256 1.271 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[NH+]1CCCCCC1 43812143 168032622 /nfs/dbraw/zinc/03/26/22/168032622.db2.gz DQTBDHDVVOIRBE-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](C)C[NH+]1CCCCCCC1 43819052 168032633 /nfs/dbraw/zinc/03/26/33/168032633.db2.gz PQOLDJBRWKHZPA-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP C[NH2+][C@@H](C)Cn1cc[nH+]c1C(C)C 43997582 168032833 /nfs/dbraw/zinc/03/28/33/168032833.db2.gz ALOYVVQXZLAXJE-VIFPVBQESA-N 2 2 181.283 1.614 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)n1cc[nH+]c1 43992837 168032872 /nfs/dbraw/zinc/03/28/72/168032872.db2.gz GJISDJSZLYLCAZ-JGVFFNPUSA-N 2 2 153.229 1.052 10 0 ADAELP C[NH2+][C@@H](C)C[NH2+]Cc1ccccc1 27657324 168033021 /nfs/dbraw/zinc/03/30/21/168033021.db2.gz QJDUFSUALAOAAU-JTQLQIEISA-N 2 2 178.279 1.384 10 0 ADAELP C[NH2+][C@@H](C)Cc1cn2ccccc2[nH+]1 76790039 168033164 /nfs/dbraw/zinc/03/31/64/168033164.db2.gz JGTLTWRSJNCKSC-VIFPVBQESA-N 2 2 189.262 1.485 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+](C)[C@@H]1CCSC1 54077071 168033169 /nfs/dbraw/zinc/03/31/69/168033169.db2.gz TWMVOZUTMUFVEK-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+](C)[C@@H]1CCSC1 54077071 168033170 /nfs/dbraw/zinc/03/31/70/168033170.db2.gz TWMVOZUTMUFVEK-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@@H](C)[C@@H]1[NH2+]CCc2ccccc21 83694095 168033279 /nfs/dbraw/zinc/03/32/79/168033279.db2.gz QOMOEVDFGPJIBH-CABZTGNLSA-N 2 2 190.290 1.481 10 0 ADAELP C[NH2+][C@@H](C)[C@H]([NH3+])c1ccccc1 19365244 168033881 /nfs/dbraw/zinc/03/38/81/168033881.db2.gz ISIJGZLHZALNDU-WPRPVWTQSA-N 2 2 164.252 1.294 10 0 ADAELP C[NH2+][C@@H](C)[C@H]1[NH2+]CCc2ccccc21 83694093 168034018 /nfs/dbraw/zinc/03/40/18/168034018.db2.gz QOMOEVDFGPJIBH-JOYOIKCWSA-N 2 2 190.290 1.481 10 0 ADAELP C[NH2+][C@@H](C)[C@H]([NH2+]C)c1ccccc1 19365250 168034120 /nfs/dbraw/zinc/03/41/20/168034120.db2.gz WLFWGHGVSWNVJT-ONGXEEELSA-N 2 2 178.279 1.555 10 0 ADAELP C[NH2+][C@@H](C)c1cnc(C[NH+](C)C)s1 54159422 168034270 /nfs/dbraw/zinc/03/42/70/168034270.db2.gz WHPKWSVUBHSAIQ-ZETCQYMHSA-N 2 2 199.323 1.485 10 0 ADAELP C[NH2+][C@@H](C)c1csc(C[NH+](C)C)n1 70840924 168034300 /nfs/dbraw/zinc/03/43/00/168034300.db2.gz JZCLFNLOCSVUNA-ZETCQYMHSA-N 2 2 199.323 1.485 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)n1cc[nH+]c1 43992841 168034772 /nfs/dbraw/zinc/03/47/72/168034772.db2.gz GJISDJSZLYLCAZ-YUMQZZPRSA-N 2 2 153.229 1.052 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[NH+]1CCCCCC1 43812145 168035119 /nfs/dbraw/zinc/03/51/19/168035119.db2.gz DQTBDHDVVOIRBE-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@H+](C)C1CCCC1 43883853 168035283 /nfs/dbraw/zinc/03/52/83/168035283.db2.gz MZYPMJVOMDQQDL-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C1CCCC1 43883853 168035285 /nfs/dbraw/zinc/03/52/85/168035285.db2.gz MZYPMJVOMDQQDL-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@H+](C)C1CC1 43822965 168035706 /nfs/dbraw/zinc/03/57/06/168035706.db2.gz IYNGAOJWSYXCBJ-YUMQZZPRSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C1CC1 43822965 168035709 /nfs/dbraw/zinc/03/57/09/168035709.db2.gz IYNGAOJWSYXCBJ-YUMQZZPRSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(F)cc1C 50579324 168035962 /nfs/dbraw/zinc/03/59/62/168035962.db2.gz HGCXFCYPOLQQMY-JTQLQIEISA-N 2 2 182.242 1.353 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(OC)c(C)c1 50596933 168036004 /nfs/dbraw/zinc/03/60/04/168036004.db2.gz VKFWVIUOHDJEIH-JTQLQIEISA-N 2 2 194.278 1.223 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cccc(C)c1C 50270028 168036232 /nfs/dbraw/zinc/03/62/32/168036232.db2.gz XJSKJOOPMYGOCP-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(C)c(C)c1 50269992 168036273 /nfs/dbraw/zinc/03/62/73/168036273.db2.gz PWSLXWDENSKVAU-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(C)s1 50269965 168036292 /nfs/dbraw/zinc/03/62/92/168036292.db2.gz GMQQSRHCDLIXDD-ZETCQYMHSA-N 2 2 170.281 1.276 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(C)cc(C)c1 50270050 168036308 /nfs/dbraw/zinc/03/63/08/168036308.db2.gz CUYFJORGSWUTJO-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(SC)cc1 50269776 168036667 /nfs/dbraw/zinc/03/66/67/168036667.db2.gz VTEFTDZIXWMSBC-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1c(C)cc(C)cc1C 50269785 168036695 /nfs/dbraw/zinc/03/66/95/168036695.db2.gz OAKLPJPJIIGPTG-NSHDSACASA-N 2 2 192.306 1.831 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(C)ccc1C 50270048 168036711 /nfs/dbraw/zinc/03/67/11/168036711.db2.gz JFMLOZBRDCCSON-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(C)sc1C 50270045 168036792 /nfs/dbraw/zinc/03/67/92/168036792.db2.gz VKRFPKSFWCAWIX-VIFPVBQESA-N 2 2 184.308 1.584 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(Cl)s1 50269966 168036920 /nfs/dbraw/zinc/03/69/20/168036920.db2.gz SJJXAIPTGHTIBW-YFKPBYRVSA-N 2 2 190.699 1.621 10 0 ADAELP C[NH2+][C@@H](C[NH+](C)C)C(C)(C)C 43815757 168037156 /nfs/dbraw/zinc/03/71/56/168037156.db2.gz DXBMWCKDRMUGLL-QMMMGPOBSA-N 2 2 158.289 1.182 10 0 ADAELP C[NH2+][C@@H](C[N@H+](C)C1CC1)C(C)(C)C 43822504 168037191 /nfs/dbraw/zinc/03/71/91/168037191.db2.gz ZYXTWMJNZDQSAM-JTQLQIEISA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C[N@@H+](C)C1CC1)C(C)(C)C 43822504 168037192 /nfs/dbraw/zinc/03/71/92/168037192.db2.gz ZYXTWMJNZDQSAM-JTQLQIEISA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(F)c(C)c1 50558698 168037308 /nfs/dbraw/zinc/03/73/08/168037308.db2.gz LTWNSRSIXCUEDX-JTQLQIEISA-N 2 2 182.242 1.353 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccccc1C 50269779 168037366 /nfs/dbraw/zinc/03/73/66/168037366.db2.gz BLSOSZHXINMMKY-JTQLQIEISA-N 2 2 164.252 1.214 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1sccc1C 50269825 168037821 /nfs/dbraw/zinc/03/78/21/168037821.db2.gz YRKLMPUOHKOZHK-ZETCQYMHSA-N 2 2 170.281 1.276 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(F)c(F)c1 50269786 168037852 /nfs/dbraw/zinc/03/78/52/168037852.db2.gz XMPBOKMOVDITCL-VIFPVBQESA-N 2 2 186.205 1.184 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(C)cc1C 50269815 168037963 /nfs/dbraw/zinc/03/79/63/168037963.db2.gz OFQBVTTUOAWVHH-NSHDSACASA-N 2 2 178.279 1.523 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1CCCC1 35504189 168038224 /nfs/dbraw/zinc/03/82/24/168038224.db2.gz VUKLXRGVPZAMBZ-JTQLQIEISA-N 2 2 193.294 1.730 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)C1CCC1 35504194 168038556 /nfs/dbraw/zinc/03/85/56/168038556.db2.gz WFWXVTPLAPDZEX-VIFPVBQESA-N 2 2 179.267 1.340 10 0 ADAELP C[NH2+][C@@H]1CCCCC[C@@H]1n1cc[nH+]c1 43993111 168038666 /nfs/dbraw/zinc/03/86/66/168038666.db2.gz XSYIZKCNEJMNNE-MNOVXSKESA-N 2 2 193.294 1.976 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccoc1 35503474 168038840 /nfs/dbraw/zinc/03/88/40/168038840.db2.gz IFRUVBIPTAPJAB-VIFPVBQESA-N 2 2 191.234 1.506 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)C(C)C 35503621 168039023 /nfs/dbraw/zinc/03/90/23/168039023.db2.gz XSNUSSNLJJIQHK-QMMMGPOBSA-N 2 2 167.256 1.196 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccco1 35503469 168039489 /nfs/dbraw/zinc/03/94/89/168039489.db2.gz DFOLPNDHEHRALE-QMMMGPOBSA-N 2 2 191.234 1.506 10 0 ADAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)C(C)(C)C 35503632 168039758 /nfs/dbraw/zinc/03/97/58/168039758.db2.gz ZOZBWFMEENLBFZ-QMMMGPOBSA-N 2 2 181.283 1.586 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 43993119 168040419 /nfs/dbraw/zinc/04/04/19/168040419.db2.gz OTWNFRYZTWWAKB-BDAKNGLRSA-N 2 2 165.240 1.196 10 0 ADAELP C[NH2+][C@@H]1CCCc2[nH+]c(C)[nH]c21 76089263 168040638 /nfs/dbraw/zinc/04/06/38/168040638.db2.gz GIOOPKNSNYYVFD-SSDOTTSWSA-N 2 2 165.240 1.315 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CC1CCC1 61456345 168040802 /nfs/dbraw/zinc/04/08/02/168040802.db2.gz PZJWWNJJYUGDOM-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CC1CCC1 61456345 168040805 /nfs/dbraw/zinc/04/08/05/168040805.db2.gz PZJWWNJJYUGDOM-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+](CC=C(C)C)C1 53203234 168040962 /nfs/dbraw/zinc/04/09/62/168040962.db2.gz ZNHPNUCNATUITM-LLVKDONJSA-N 2 2 182.311 1.636 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+](CC=C(C)C)C1 53203234 168040964 /nfs/dbraw/zinc/04/09/64/168040964.db2.gz ZNHPNUCNATUITM-LLVKDONJSA-N 2 2 182.311 1.636 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1 43993123 168041076 /nfs/dbraw/zinc/04/10/76/168041076.db2.gz OTWNFRYZTWWAKB-RKDXNWHRSA-N 2 2 165.240 1.196 10 0 ADAELP C[NH2+][C@@H]1CCCCC[C@H]1n1cc[nH+]c1 43993115 168041303 /nfs/dbraw/zinc/04/13/03/168041303.db2.gz XSYIZKCNEJMNNE-GHMZBOCLSA-N 2 2 193.294 1.976 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CC1CCC1 61456352 168041345 /nfs/dbraw/zinc/04/13/45/168041345.db2.gz PZJWWNJJYUGDOM-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CC1CCC1 61456352 168041348 /nfs/dbraw/zinc/04/13/48/168041348.db2.gz PZJWWNJJYUGDOM-VXGBXAGGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@H]1n1cc[nH+]c1 43993305 168041965 /nfs/dbraw/zinc/04/19/65/168041965.db2.gz UGBMAJYJEDYWIY-NXEZZACHSA-N 2 2 179.267 1.586 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+](CCc2ccco2)C1 42590241 168043250 /nfs/dbraw/zinc/04/32/50/168043250.db2.gz XDULUGJNESHUGY-SNVBAGLBSA-N 2 2 194.278 1.116 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+](CCc2ccco2)C1 42590241 168043252 /nfs/dbraw/zinc/04/32/52/168043252.db2.gz XDULUGJNESHUGY-SNVBAGLBSA-N 2 2 194.278 1.116 10 0 ADAELP C[NH2+][C@@](C)(C[NH3+])c1ccccc1 59842758 168046218 /nfs/dbraw/zinc/04/62/18/168046218.db2.gz QUIACRNJTMDTQX-JTQLQIEISA-N 2 2 164.252 1.080 10 0 ADAELP C[NH2+][C@@]1(C[NH3+])CCCc2ccccc21 50269925 168046821 /nfs/dbraw/zinc/04/68/21/168046821.db2.gz MGMLXXJMVWDNTC-GFCCVEGCSA-N 2 2 190.290 1.396 10 0 ADAELP C[NH2+][C@H](C)CCCCn1cc[nH+]c1 45603836 168048891 /nfs/dbraw/zinc/04/88/91/168048891.db2.gz DBQHRKHEWDYBNF-SNVBAGLBSA-N 2 2 181.283 1.661 10 0 ADAELP C[NH2+][C@H](C)CCCn1cc[nH+]c1 45603823 168049608 /nfs/dbraw/zinc/04/96/08/168049608.db2.gz OWSYGLDVRRTADZ-SECBINFHSA-N 2 2 167.256 1.271 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+](C)C1CC1 43822963 168049823 /nfs/dbraw/zinc/04/98/23/168049823.db2.gz IYNGAOJWSYXCBJ-HTQZYQBOSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+](C)C1CC1 43822963 168049824 /nfs/dbraw/zinc/04/98/24/168049824.db2.gz IYNGAOJWSYXCBJ-HTQZYQBOSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@H](C)C[N@H+](C)[C@@H]1CCSC1 54077072 168049894 /nfs/dbraw/zinc/04/98/94/168049894.db2.gz TWMVOZUTMUFVEK-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+](C)[C@@H]1CCSC1 54077072 168049895 /nfs/dbraw/zinc/04/98/95/168049895.db2.gz TWMVOZUTMUFVEK-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[NH+]1CCCCCC1 43812144 168049944 /nfs/dbraw/zinc/04/99/44/168049944.db2.gz DQTBDHDVVOIRBE-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 43804643 168050005 /nfs/dbraw/zinc/05/00/05/168050005.db2.gz CSRVOWOGCMAAKX-GARJFASQSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 43804645 168050012 /nfs/dbraw/zinc/05/00/12/168050012.db2.gz CSRVOWOGCMAAKX-GMTAPVOTSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[NH+]1CCCCCC1 43812146 168050040 /nfs/dbraw/zinc/05/00/40/168050040.db2.gz DQTBDHDVVOIRBE-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C1CC1 43894853 168050087 /nfs/dbraw/zinc/05/00/87/168050087.db2.gz DESDQJAXIVOZJI-UTLUCORTSA-N 2 2 184.327 1.713 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 43894853 168050089 /nfs/dbraw/zinc/05/00/89/168050089.db2.gz DESDQJAXIVOZJI-UTLUCORTSA-N 2 2 184.327 1.713 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1[C@@H](C)CCC[C@@H]1C 43815522 168050352 /nfs/dbraw/zinc/05/03/52/168050352.db2.gz CISCXVYDCLZYRF-VWYCJHECSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+](C)C1CC1 43822968 168050356 /nfs/dbraw/zinc/05/03/56/168050356.db2.gz IYNGAOJWSYXCBJ-SFYZADRCSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)C1CC1 43822968 168050357 /nfs/dbraw/zinc/05/03/57/168050357.db2.gz IYNGAOJWSYXCBJ-SFYZADRCSA-N 2 2 156.273 1.077 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+](C)C1CCCC1 43883855 168050377 /nfs/dbraw/zinc/05/03/77/168050377.db2.gz MZYPMJVOMDQQDL-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)C1CCCC1 43883855 168050379 /nfs/dbraw/zinc/05/03/79/168050379.db2.gz MZYPMJVOMDQQDL-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C(C)C 43895474 168050398 /nfs/dbraw/zinc/05/03/98/168050398.db2.gz NHMYTADDDOQTIO-VWYCJHECSA-N 2 2 186.343 1.959 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C 43895474 168050399 /nfs/dbraw/zinc/05/03/99/168050399.db2.gz NHMYTADDDOQTIO-VWYCJHECSA-N 2 2 186.343 1.959 10 0 ADAELP C[NH2+][C@H](C)C[NH2+]Cc1ccccc1 27657325 168050433 /nfs/dbraw/zinc/05/04/33/168050433.db2.gz QJDUFSUALAOAAU-SNVBAGLBSA-N 2 2 178.279 1.384 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+](C)CC(C)C 43886720 168050580 /nfs/dbraw/zinc/05/05/80/168050580.db2.gz SIAASYIFEKLXFU-NXEZZACHSA-N 2 2 172.316 1.571 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+](C)CC(C)C 43886720 168050581 /nfs/dbraw/zinc/05/05/81/168050581.db2.gz SIAASYIFEKLXFU-NXEZZACHSA-N 2 2 172.316 1.571 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCCSCC1 54077106 168050622 /nfs/dbraw/zinc/05/06/22/168050622.db2.gz RWDDGMPKLCPMKF-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCCSCC1 54077106 168050624 /nfs/dbraw/zinc/05/06/24/168050624.db2.gz RWDDGMPKLCPMKF-SECBINFHSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1CCCCCCC1 43819054 168050741 /nfs/dbraw/zinc/05/07/41/168050741.db2.gz PQOLDJBRWKHZPA-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+](C)C1CCCC1 43883850 168050852 /nfs/dbraw/zinc/05/08/52/168050852.db2.gz MZYPMJVOMDQQDL-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+](C)C1CCCC1 43883850 168050855 /nfs/dbraw/zinc/05/08/55/168050855.db2.gz MZYPMJVOMDQQDL-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)n1cc[nH+]c1 43992843 168050932 /nfs/dbraw/zinc/05/09/32/168050932.db2.gz GJISDJSZLYLCAZ-SFYZADRCSA-N 2 2 153.229 1.052 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+](C)CC(C)C 43886718 168050940 /nfs/dbraw/zinc/05/09/40/168050940.db2.gz SIAASYIFEKLXFU-ZJUUUORDSA-N 2 2 172.316 1.571 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)CC(C)C 43886718 168050941 /nfs/dbraw/zinc/05/09/41/168050941.db2.gz SIAASYIFEKLXFU-ZJUUUORDSA-N 2 2 172.316 1.571 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43804641 168050995 /nfs/dbraw/zinc/05/09/95/168050995.db2.gz CSRVOWOGCMAAKX-OUAUKWLOSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1 43804641 168050998 /nfs/dbraw/zinc/05/09/98/168050998.db2.gz CSRVOWOGCMAAKX-OUAUKWLOSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+][C@H](C)Cn1cc[nH+]c1C(C)C 43997579 168051008 /nfs/dbraw/zinc/05/10/08/168051008.db2.gz ALOYVVQXZLAXJE-SECBINFHSA-N 2 2 181.283 1.614 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1[C@@H](C)CCC[C@H]1C 43815520 168051018 /nfs/dbraw/zinc/05/10/18/168051018.db2.gz CISCXVYDCLZYRF-MXWKQRLJSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 43815520 168051019 /nfs/dbraw/zinc/05/10/19/168051019.db2.gz CISCXVYDCLZYRF-MXWKQRLJSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)n1cc[nH+]c1 43992839 168051061 /nfs/dbraw/zinc/05/10/61/168051061.db2.gz GJISDJSZLYLCAZ-HTQZYQBOSA-N 2 2 153.229 1.052 10 0 ADAELP C[NH2+][C@H](C)Cc1cn2ccccc2[nH+]1 76790042 168051094 /nfs/dbraw/zinc/05/10/94/168051094.db2.gz JGTLTWRSJNCKSC-SECBINFHSA-N 2 2 189.262 1.485 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43804848 168051169 /nfs/dbraw/zinc/05/11/69/168051169.db2.gz VKADBSIRTBLRKV-KXNHARMFSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 43804848 168051172 /nfs/dbraw/zinc/05/11/72/168051172.db2.gz VKADBSIRTBLRKV-KXNHARMFSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+][C@H](C)c1cnc(C[NH+](C)C)s1 54159423 168052051 /nfs/dbraw/zinc/05/20/51/168052051.db2.gz WHPKWSVUBHSAIQ-SSDOTTSWSA-N 2 2 199.323 1.485 10 0 ADAELP C[NH2+][C@H](C)c1csc(C[NH+](C)C)n1 70840926 168052083 /nfs/dbraw/zinc/05/20/83/168052083.db2.gz JZCLFNLOCSVUNA-SSDOTTSWSA-N 2 2 199.323 1.485 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc([C@@H]2C[C@@H]2C)o1 50269877 168053113 /nfs/dbraw/zinc/05/31/13/168053113.db2.gz KYICOLLVUKCITE-DJLDLDEBSA-N 2 2 194.278 1.622 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1c(C)cc(C)cc1C 50269784 168053206 /nfs/dbraw/zinc/05/32/06/168053206.db2.gz OAKLPJPJIIGPTG-LLVKDONJSA-N 2 2 192.306 1.831 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(C)cc(C)c1 50270049 168053470 /nfs/dbraw/zinc/05/34/70/168053470.db2.gz CUYFJORGSWUTJO-LLVKDONJSA-N 2 2 178.279 1.523 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc([C@H]2C[C@@H]2C)o1 50269875 168053493 /nfs/dbraw/zinc/05/34/93/168053493.db2.gz KYICOLLVUKCITE-XHNCKOQMSA-N 2 2 194.278 1.622 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(F)cc1C 50579322 168053549 /nfs/dbraw/zinc/05/35/49/168053549.db2.gz HGCXFCYPOLQQMY-SNVBAGLBSA-N 2 2 182.242 1.353 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(C)c(C)c1 50269991 168053594 /nfs/dbraw/zinc/05/35/94/168053594.db2.gz PWSLXWDENSKVAU-LLVKDONJSA-N 2 2 178.279 1.523 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1sccc1C 50269824 168053655 /nfs/dbraw/zinc/05/36/55/168053655.db2.gz YRKLMPUOHKOZHK-SSDOTTSWSA-N 2 2 170.281 1.276 10 0 ADAELP C[NH2+][C@H](C[N@H+](C)C1CC1)C(C)(C)C 43822500 168053689 /nfs/dbraw/zinc/05/36/89/168053689.db2.gz ZYXTWMJNZDQSAM-SNVBAGLBSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C[N@@H+](C)C1CC1)C(C)(C)C 43822500 168053690 /nfs/dbraw/zinc/05/36/90/168053690.db2.gz ZYXTWMJNZDQSAM-SNVBAGLBSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C[NH+](C)C)C(C)(C)C 43815755 168053838 /nfs/dbraw/zinc/05/38/38/168053838.db2.gz DXBMWCKDRMUGLL-MRVPVSSYSA-N 2 2 158.289 1.182 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(F)c(F)c1 50269787 168053883 /nfs/dbraw/zinc/05/38/83/168053883.db2.gz XMPBOKMOVDITCL-SECBINFHSA-N 2 2 186.205 1.184 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(C)sc1C 50270044 168054031 /nfs/dbraw/zinc/05/40/31/168054031.db2.gz VKRFPKSFWCAWIX-SECBINFHSA-N 2 2 184.308 1.584 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccccc1C 50269778 168054037 /nfs/dbraw/zinc/05/40/37/168054037.db2.gz BLSOSZHXINMMKY-SNVBAGLBSA-N 2 2 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168057951 /nfs/dbraw/zinc/05/79/51/168057951.db2.gz PQFXNMVYWRCPIF-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 53201172 168057953 /nfs/dbraw/zinc/05/79/53/168057953.db2.gz PQFXNMVYWRCPIF-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CC1CCC1 61456348 168058098 /nfs/dbraw/zinc/05/80/98/168058098.db2.gz PZJWWNJJYUGDOM-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CC1CCC1 61456348 168058100 /nfs/dbraw/zinc/05/81/00/168058100.db2.gz PZJWWNJJYUGDOM-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCCC[C@@H]1n1cc[nH+]c1 43993304 168058283 /nfs/dbraw/zinc/05/82/83/168058283.db2.gz UGBMAJYJEDYWIY-UWVGGRQHSA-N 2 2 179.267 1.586 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1 43993125 168058289 /nfs/dbraw/zinc/05/82/89/168058289.db2.gz OTWNFRYZTWWAKB-DTWKUNHWSA-N 2 2 165.240 1.196 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@H+](C)CC(C)C 43886523 168058375 /nfs/dbraw/zinc/05/83/75/168058375.db2.gz TUNNGAJMBVKJPQ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CC(C)C 43886523 168058376 /nfs/dbraw/zinc/05/83/76/168058376.db2.gz TUNNGAJMBVKJPQ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 45135301 168058953 /nfs/dbraw/zinc/05/89/53/168058953.db2.gz RUMKHVFMKOXDOO-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 45135301 168058954 /nfs/dbraw/zinc/05/89/54/168058954.db2.gz RUMKHVFMKOXDOO-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@H]1CC[N@H+](CCc2ccco2)C1 42590244 168060117 /nfs/dbraw/zinc/06/01/17/168060117.db2.gz XDULUGJNESHUGY-JTQLQIEISA-N 2 2 194.278 1.116 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+](CCc2ccco2)C1 42590244 168060118 /nfs/dbraw/zinc/06/01/18/168060118.db2.gz XDULUGJNESHUGY-JTQLQIEISA-N 2 2 194.278 1.116 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 45135300 168060234 /nfs/dbraw/zinc/06/02/34/168060234.db2.gz RUMKHVFMKOXDOO-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@H]2CC2(C)C)C1 45135300 168060237 /nfs/dbraw/zinc/06/02/37/168060237.db2.gz RUMKHVFMKOXDOO-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@](C)(C[NH3+])c1ccccc1 59842756 168060567 /nfs/dbraw/zinc/06/05/67/168060567.db2.gz QUIACRNJTMDTQX-SNVBAGLBSA-N 2 2 164.252 1.080 10 0 ADAELP CNc1c(C[NH3+])c[nH+]c2ccccc12 50423064 168062623 /nfs/dbraw/zinc/06/26/23/168062623.db2.gz JCQGCMLSMHPOHD-UHFFFAOYSA-N 2 2 187.246 1.735 10 0 ADAELP CNc1c(C[NH3+])c[nH+]cc1OC1CC1 95728716 168062939 /nfs/dbraw/zinc/06/29/39/168062939.db2.gz JVVBIUOGCDROCA-UHFFFAOYSA-N 2 2 193.250 1.123 10 0 ADAELP C[NH2+][C@]1(C[NH3+])CCCc2ccccc21 50269924 168063654 /nfs/dbraw/zinc/06/36/54/168063654.db2.gz MGMLXXJMVWDNTC-LBPRGKRZSA-N 2 2 190.290 1.396 10 0 ADAELP CNc1cc(OC2CC2)c(C[NH3+])c[nH+]1 95730906 168064347 /nfs/dbraw/zinc/06/43/47/168064347.db2.gz SDMJSQZJCHTMLG-UHFFFAOYSA-N 2 2 193.250 1.123 10 0 ADAELP CNc1cc(Cn2cc[nH+]c2)cc[nH+]1 52732306 168064779 /nfs/dbraw/zinc/06/47/79/168064779.db2.gz YGIKNRAEHSVQFT-UHFFFAOYSA-N 2 2 188.234 1.368 10 0 ADAELP CNc1cc(C[NH3+])[nH+]cc1OC1CC1 95729827 168065322 /nfs/dbraw/zinc/06/53/22/168065322.db2.gz OGCCICYEYBNMTB-UHFFFAOYSA-N 2 2 193.250 1.123 10 0 ADAELP CNc1cc[nH+]c(C[NH3+])c1OC1CC1 95730496 168068176 /nfs/dbraw/zinc/06/81/76/168068176.db2.gz GWFLOTOYAOUCCW-UHFFFAOYSA-N 2 2 193.250 1.123 10 0 ADAELP CNc1[nH+]c(C)cc(C)c1C[NH3+] 44250058 168070121 /nfs/dbraw/zinc/07/01/21/168070121.db2.gz JNDRKBUHHUECHN-UHFFFAOYSA-N 2 2 165.240 1.199 10 0 ADAELP CNc1[nH+]cccc1Cn1cc[nH+]c1 52732295 168072078 /nfs/dbraw/zinc/07/20/78/168072078.db2.gz QUGYKZGWGBIRNF-UHFFFAOYSA-N 2 2 188.234 1.368 10 0 ADAELP CNc1[nH+]ccc(OC2CC2)c1C[NH3+] 95728935 168072380 /nfs/dbraw/zinc/07/23/80/168072380.db2.gz LWQSMCPYCPGHST-UHFFFAOYSA-N 2 2 193.250 1.123 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@@H]1n1cc[nH+]c1 43993302 168041665 /nfs/dbraw/zinc/04/16/65/168041665.db2.gz UGBMAJYJEDYWIY-ZJUUUORDSA-N 2 2 179.267 1.586 10 0 ADAELP CO[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 54765304 168205943 /nfs/dbraw/zinc/20/59/43/168205943.db2.gz OLOZHKDUVUABBZ-VHSXEESVSA-N 2 2 195.266 1.067 10 0 ADAELP CO[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 54765305 168217819 /nfs/dbraw/zinc/21/78/19/168217819.db2.gz OLOZHKDUVUABBZ-UWVGGRQHSA-N 2 2 195.266 1.067 10 0 ADAELP COc1c(C)cc([C@@H]([NH3+])C[NH3+])cc1C 44470789 168222917 /nfs/dbraw/zinc/22/29/17/168222917.db2.gz PPNABZLXWLRLCF-JTQLQIEISA-N 2 2 194.278 1.271 10 0 ADAELP COc1c(C)cc(C)cc1[C@@H]([NH3+])C[NH3+] 44476444 168223024 /nfs/dbraw/zinc/22/30/24/168223024.db2.gz QEDMQGWGPABLGR-JTQLQIEISA-N 2 2 194.278 1.271 10 0 ADAELP COc1c(C)cc([C@H]([NH3+])C[NH3+])cc1C 44470787 168223069 /nfs/dbraw/zinc/22/30/69/168223069.db2.gz PPNABZLXWLRLCF-SNVBAGLBSA-N 2 2 194.278 1.271 10 0 ADAELP COc1c(C)cc(C)cc1[C@H]([NH3+])C[NH3+] 44476441 168223212 /nfs/dbraw/zinc/22/32/12/168223212.db2.gz QEDMQGWGPABLGR-SNVBAGLBSA-N 2 2 194.278 1.271 10 0 ADAELP COc1c(C)c[nH+]c(CC[NH3+])c1C 19844403 168223364 /nfs/dbraw/zinc/22/33/64/168223364.db2.gz AZFFKAQHMDWGBI-UHFFFAOYSA-N 2 2 180.251 1.208 10 0 ADAELP COc1c(C)cc(F)cc1[C@H]([NH3+])C[NH3+] 44476347 168223491 /nfs/dbraw/zinc/22/34/91/168223491.db2.gz VKLSWDUVYWEOEJ-SECBINFHSA-N 2 2 198.241 1.101 10 0 ADAELP COc1c(C)c[nH+]c(CCC[NH3+])c1C 35321559 168223658 /nfs/dbraw/zinc/22/36/58/168223658.db2.gz IDOWLGJEBSBDCN-UHFFFAOYSA-N 2 2 194.278 1.598 10 0 ADAELP COc1c(C)c[nH+]c(C[C@H](C)[NH3+])c1C 53818579 168223889 /nfs/dbraw/zinc/22/38/89/168223889.db2.gz DQGOSWVSXREJJJ-QMMMGPOBSA-N 2 2 194.278 1.597 10 0 ADAELP COc1c(C)cc(F)cc1[C@@H]([NH3+])C[NH3+] 44476348 168223931 /nfs/dbraw/zinc/22/39/31/168223931.db2.gz VKLSWDUVYWEOEJ-VIFPVBQESA-N 2 2 198.241 1.101 10 0 ADAELP COc1c(C)c[nH+]c(C[C@@H](C)[NH3+])c1C 53818578 168224222 /nfs/dbraw/zinc/22/42/22/168224222.db2.gz DQGOSWVSXREJJJ-MRVPVSSYSA-N 2 2 194.278 1.597 10 0 ADAELP COc1cc(C)c(C)cc1[C@H]([NH3+])C[NH3+] 44476447 168228346 /nfs/dbraw/zinc/22/83/46/168228346.db2.gz OBCXGMIZWWEOJS-SNVBAGLBSA-N 2 2 194.278 1.271 10 0 ADAELP COc1cc(C)c(C)cc1[C@@H]([NH3+])C[NH3+] 44476450 168229624 /nfs/dbraw/zinc/22/96/24/168229624.db2.gz OBCXGMIZWWEOJS-JTQLQIEISA-N 2 2 194.278 1.271 10 0 ADAELP COc1cc(C)cc(C)c1[C@H]([NH3+])C[NH3+] 72200433 168229950 /nfs/dbraw/zinc/22/99/50/168229950.db2.gz JMZBVIOIAWOYAQ-SECBINFHSA-N 2 2 194.278 1.271 10 0 ADAELP COc1cc(C)c([C@H]([NH3+])C[NH3+])cc1C 72200423 168230250 /nfs/dbraw/zinc/23/02/50/168230250.db2.gz QWASOOZVXFEVGZ-SNVBAGLBSA-N 2 2 194.278 1.271 10 0 ADAELP COc1cc(C)c(F)cc1[C@@H]([NH3+])C[NH3+] 44476354 168230629 /nfs/dbraw/zinc/23/06/29/168230629.db2.gz NBOOBVHYLCXBDW-VIFPVBQESA-N 2 2 198.241 1.101 10 0 ADAELP COc1cc(C)cc(C)c1[C@@H]([NH3+])C[NH3+] 72200434 168230813 /nfs/dbraw/zinc/23/08/13/168230813.db2.gz JMZBVIOIAWOYAQ-VIFPVBQESA-N 2 2 194.278 1.271 10 0 ADAELP COc1cc(C)c([C@@H]([NH3+])C[NH3+])cc1C 72200424 168231071 /nfs/dbraw/zinc/23/10/71/168231071.db2.gz QWASOOZVXFEVGZ-JTQLQIEISA-N 2 2 194.278 1.271 10 0 ADAELP COc1cc(C)c(F)cc1[C@H]([NH3+])C[NH3+] 44476351 168231337 /nfs/dbraw/zinc/23/13/37/168231337.db2.gz NBOOBVHYLCXBDW-SECBINFHSA-N 2 2 198.241 1.101 10 0 ADAELP COc1ccc([C@@H]([NH3+])C[NH3+])c(C)c1C 72200422 168258054 /nfs/dbraw/zinc/25/80/54/168258054.db2.gz WWTBEUPODAWRNB-JTQLQIEISA-N 2 2 194.278 1.271 10 0 ADAELP COc1ccc([C@H]([NH3+])C[NH3+])c(C)c1C 72200421 168259912 /nfs/dbraw/zinc/25/99/12/168259912.db2.gz WWTBEUPODAWRNB-SNVBAGLBSA-N 2 2 194.278 1.271 10 0 ADAELP COc1ccc2c(c1)[nH+]cn2CC[NH3+] 75935114 168264456 /nfs/dbraw/zinc/26/44/56/168264456.db2.gz FQNXDXMBFBSVJG-UHFFFAOYSA-N 2 2 191.234 1.004 10 0 ADAELP COc1ccc2[nH+]cn(CC[NH3+])c2c1 31974068 168265995 /nfs/dbraw/zinc/26/59/95/168265995.db2.gz QPPJFAUXJDLKTC-UHFFFAOYSA-N 2 2 191.234 1.004 10 0 ADAELP COc1cccc2c1C[N@@H+](C)C[C@H]2[NH3+] 82388666 168274322 /nfs/dbraw/zinc/27/43/22/168274322.db2.gz XENOQXKXJIWXNH-SNVBAGLBSA-N 2 2 192.262 1.140 10 0 ADAELP COc1cccc2c1C[N@@H+](C)C[C@@H]2[NH3+] 82388667 168274673 /nfs/dbraw/zinc/27/46/73/168274673.db2.gz XENOQXKXJIWXNH-JTQLQIEISA-N 2 2 192.262 1.140 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1C[C@H]1[C@@H](C)[NH3+] 135503339 343964634 /nfs/dbraw/zinc/96/46/34/343964634.db2.gz MSOSRCGPTWZIAA-KXUCPTDWSA-N 2 2 176.263 1.841 10 0 ADAELP COc1cc[nH+]cc1Cn1cc[nH+]c1 306283822 168279697 /nfs/dbraw/zinc/27/96/97/168279697.db2.gz AVKZAFXVRGDRHN-UHFFFAOYSA-N 2 2 189.218 1.335 10 0 ADAELP COc1cc[nH+]cc1OCC[NH+](C)C 39122695 168280265 /nfs/dbraw/zinc/28/02/65/168280265.db2.gz KHLYPFJVBAFGPJ-UHFFFAOYSA-N 2 2 196.250 1.031 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1C[C@@H]1[C@@H](C)[NH3+] 135503303 343964661 /nfs/dbraw/zinc/96/46/61/343964661.db2.gz MSOSRCGPTWZIAA-OPRDCNLKSA-N 2 2 176.263 1.841 10 0 ADAELP CSC(=[NH2+])NCCCc1c[nH]c[nH+]1 27999545 168297142 /nfs/dbraw/zinc/29/71/42/168297142.db2.gz XKKZDCPINOVHCW-UHFFFAOYSA-N 2 2 198.295 1.230 10 0 ADAELP CSC(=[NH2+])NCCCc1c[nH+]c[nH]1 27999545 168297144 /nfs/dbraw/zinc/29/71/44/168297144.db2.gz XKKZDCPINOVHCW-UHFFFAOYSA-N 2 2 198.295 1.230 10 0 ADAELP CSCCC[NH2+]CCn1cc[nH+]c1 41041919 168299582 /nfs/dbraw/zinc/29/95/82/168299582.db2.gz DFJDOSMDYPEYJE-UHFFFAOYSA-N 2 2 199.323 1.226 10 0 ADAELP CSc1ccc([C@H]([NH3+])C[NH3+])cc1 35676949 168310832 /nfs/dbraw/zinc/31/08/32/168310832.db2.gz UVOLFYCKPGIVNA-SECBINFHSA-N 2 2 182.292 1.367 10 0 ADAELP CSc1ccc([C@@H]([NH3+])C[NH3+])cc1 35676950 168310881 /nfs/dbraw/zinc/31/08/81/168310881.db2.gz UVOLFYCKPGIVNA-VIFPVBQESA-N 2 2 182.292 1.367 10 0 ADAELP CSc1ccc([C@@H]([NH3+])C[NH3+])s1 44469957 168311603 /nfs/dbraw/zinc/31/16/03/168311603.db2.gz ZJTVRJNQXHJPCH-YFKPBYRVSA-N 2 2 188.321 1.429 10 0 ADAELP CSc1cccc([C@H]([NH3+])C[NH3+])c1 72200187 168311962 /nfs/dbraw/zinc/31/19/62/168311962.db2.gz MKCDMXFUAZTEEX-SECBINFHSA-N 2 2 182.292 1.367 10 0 ADAELP CSc1ccc([C@H]([NH3+])C[NH3+])s1 44469954 168312464 /nfs/dbraw/zinc/31/24/64/168312464.db2.gz ZJTVRJNQXHJPCH-RXMQYKEDSA-N 2 2 188.321 1.429 10 0 ADAELP CSc1ccccc1[C@@H]([NH3+])C[NH3+] 44472035 168312916 /nfs/dbraw/zinc/31/29/16/168312916.db2.gz SFGSILLNMJKBNK-QMMMGPOBSA-N 2 2 182.292 1.367 10 0 ADAELP CSc1cccc([C@@H]([NH3+])C[NH3+])c1 72200188 168313043 /nfs/dbraw/zinc/31/30/43/168313043.db2.gz MKCDMXFUAZTEEX-VIFPVBQESA-N 2 2 182.292 1.367 10 0 ADAELP CSc1ccccc1[C@H]([NH3+])C[NH3+] 44472032 168313182 /nfs/dbraw/zinc/31/31/82/168313182.db2.gz SFGSILLNMJKBNK-MRVPVSSYSA-N 2 2 182.292 1.367 10 0 ADAELP C[C@@H](C1CCCC1)[N@@H+]1CCC[NH2+]CC1 54082000 168331041 /nfs/dbraw/zinc/33/10/41/168331041.db2.gz QMAZOBNBPRYBBK-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H](C1CCCC1)[N@H+]1CCC[NH2+]CC1 54082000 168331043 /nfs/dbraw/zinc/33/10/43/168331043.db2.gz QMAZOBNBPRYBBK-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CC[NH2+][C@H](C)CC1 49661996 168331290 /nfs/dbraw/zinc/33/12/90/168331290.db2.gz JDFYHHUWUXLINY-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CC[NH2+][C@H](C)CC1 49661996 168331293 /nfs/dbraw/zinc/33/12/93/168331293.db2.gz JDFYHHUWUXLINY-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](C1CCC1)[N@@H+]1CCC[NH2+]CC1 76580737 168331530 /nfs/dbraw/zinc/33/15/30/168331530.db2.gz NIOPTJBMRBGZAV-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](C1CCC1)[N@H+]1CCC[NH2+]CC1 76580737 168331532 /nfs/dbraw/zinc/33/15/32/168331532.db2.gz NIOPTJBMRBGZAV-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](C1CCCC1)[N@@H+]1CCC[C@H]([NH3+])C1 54082019 168331620 /nfs/dbraw/zinc/33/16/20/168331620.db2.gz RRNNVBFXULFGLS-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H](C1CCCC1)[N@H+]1CCC[C@H]([NH3+])C1 54082019 168331622 /nfs/dbraw/zinc/33/16/22/168331622.db2.gz RRNNVBFXULFGLS-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H](C1CC1)[N@H+](C)[C@@H]1CCCC[NH2+]C1 54135080 168332148 /nfs/dbraw/zinc/33/21/48/168332148.db2.gz LDJLYIIISGKRMT-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54135080 168332151 /nfs/dbraw/zinc/33/21/51/168332151.db2.gz LDJLYIIISGKRMT-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C1CC1)[N@H+](C)CC1([NH3+])CCCC1 37479633 168332316 /nfs/dbraw/zinc/33/23/16/168332316.db2.gz UWICJSJSRGELAB-JTQLQIEISA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H](C1CC1)[N@@H+](C)CC1([NH3+])CCCC1 37479633 168332317 /nfs/dbraw/zinc/33/23/17/168332317.db2.gz UWICJSJSRGELAB-JTQLQIEISA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 49661993 168332503 /nfs/dbraw/zinc/33/25/03/168332503.db2.gz KYMJCGLCVCZEHH-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CC[NH2+]C[C@@H](C)C1 49661993 168332505 /nfs/dbraw/zinc/33/25/05/168332505.db2.gz KYMJCGLCVCZEHH-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H](C1CC1)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053840 168332689 /nfs/dbraw/zinc/33/26/89/168332689.db2.gz JIRXFGPAMCNWKN-VGMNWLOBSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@@H](C1CC1)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053840 168332691 /nfs/dbraw/zinc/33/26/91/168332691.db2.gz JIRXFGPAMCNWKN-VGMNWLOBSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@@H](CC[NH3+])[N@H+](C)Cc1cscn1 49776578 168337401 /nfs/dbraw/zinc/33/74/01/168337401.db2.gz TUPJXTWDDYXTGY-QMMMGPOBSA-N 2 2 199.323 1.312 10 0 ADAELP C[C@@H](CC[NH3+])[N@@H+](C)Cc1cscn1 49776578 168337404 /nfs/dbraw/zinc/33/74/04/168337404.db2.gz TUPJXTWDDYXTGY-QMMMGPOBSA-N 2 2 199.323 1.312 10 0 ADAELP C[C@@H](CCC[NH3+])n1cc[nH+]c1 52575442 168338250 /nfs/dbraw/zinc/33/82/50/168338250.db2.gz OVSNWPFPVWUBNN-QMMMGPOBSA-N 2 2 153.229 1.183 10 0 ADAELP C[C@@H](C[NH3+])C[N@H+](C)Cc1cscn1 42860504 168344131 /nfs/dbraw/zinc/34/41/31/168344131.db2.gz XEFKZFFRGLLVJI-QMMMGPOBSA-N 2 2 199.323 1.170 10 0 ADAELP C[C@@H](C[NH3+])C[N@@H+](C)Cc1cscn1 42860504 168344132 /nfs/dbraw/zinc/34/41/32/168344132.db2.gz XEFKZFFRGLLVJI-QMMMGPOBSA-N 2 2 199.323 1.170 10 0 ADAELP C[C@@H](C[NH3+])CN(C)c1cccc[nH+]1 42455578 168344218 /nfs/dbraw/zinc/34/42/18/168344218.db2.gz YUXRUJVHKCRMMZ-VIFPVBQESA-N 2 2 179.267 1.113 10 0 ADAELP C[C@@H](C[NH3+])Sc1ccc(N)[nH+]c1 82635515 168345698 /nfs/dbraw/zinc/34/56/98/168345698.db2.gz HJFJFXPGAYVDPS-LURJTMIESA-N 2 2 183.280 1.103 10 0 ADAELP C[C@@H](C[NH3+])n1c[nH+]c2cc(O)ccc21 75935223 168346233 /nfs/dbraw/zinc/34/62/33/168346233.db2.gz OBDIFAHLULTAQQ-ZETCQYMHSA-N 2 2 191.234 1.262 10 0 ADAELP C[C@@H](C[NH3+])c1[nH]c2ccc(O)cc2[nH+]1 76015061 168346245 /nfs/dbraw/zinc/34/62/45/168346245.db2.gz GMROPOBYILGCMQ-LURJTMIESA-N 2 2 191.234 1.331 10 0 ADAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)C1CC1 42597547 168346284 /nfs/dbraw/zinc/34/62/84/168346284.db2.gz WFJPCSZPUHYHNL-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH3+])c1c[nH+]c2ccccn12 31935568 168346313 /nfs/dbraw/zinc/34/63/13/168346313.db2.gz SUERUMJZMGWGAG-QMMMGPOBSA-N 2 2 175.235 1.397 10 0 ADAELP C[C@@H](C[NH+]1CCCC1)[NH2+]CC1CC1 42598103 168346348 /nfs/dbraw/zinc/34/63/48/168346348.db2.gz QFFPYIBVBUYPOF-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](C[NH3+])c1ccc2[nH]c[nH+]c2c1 82587788 168346802 /nfs/dbraw/zinc/34/68/02/168346802.db2.gz WJJRKMDEIFTUHV-ZETCQYMHSA-N 2 2 175.235 1.625 10 0 ADAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)C1CC1 42597540 168347006 /nfs/dbraw/zinc/34/70/06/168347006.db2.gz WFJPCSZPUHYHNL-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH3+])c1[nH+]c2c(n1C)CCCC2 76121771 168347194 /nfs/dbraw/zinc/34/71/94/168347194.db2.gz JYGBVFGJXAEPGK-QMMMGPOBSA-N 2 2 193.294 1.361 10 0 ADAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC1 44481930 168347331 /nfs/dbraw/zinc/34/73/31/168347331.db2.gz KORJWTZGUIXBEK-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H](C[NH3+])c1[nH]c2c([nH+]1)CCCC2 76121767 168347476 /nfs/dbraw/zinc/34/74/76/168347476.db2.gz JNGDDZRUMJCVIK-ZETCQYMHSA-N 2 2 179.267 1.351 10 0 ADAELP C[C@@H](C[NH3+])c1ccc2c(c1)[nH+]cn2C 82588311 168347482 /nfs/dbraw/zinc/34/74/82/168347482.db2.gz HXEDISFADMOZRG-QMMMGPOBSA-N 2 2 189.262 1.636 10 0 ADAELP C[C@@H](C[NH2+]C1CC1)n1cc[nH+]c1 52575535 168347727 /nfs/dbraw/zinc/34/77/27/168347727.db2.gz BZBPLMYKEBLMBW-QMMMGPOBSA-N 2 2 165.240 1.196 10 0 ADAELP C[C@@H](CNc1[nH+]cccc1N)[NH+](C)C 45106013 168347897 /nfs/dbraw/zinc/34/78/97/168347897.db2.gz SQWSYZSDTBNGTQ-QMMMGPOBSA-N 2 2 194.282 1.026 10 0 ADAELP C[C@@H](C[NH2+]C1CCCC1)n1cc[nH+]c1 53520541 168348175 /nfs/dbraw/zinc/34/81/75/168348175.db2.gz WAYKXXAOOMNEHO-JTQLQIEISA-N 2 2 193.294 1.976 10 0 ADAELP C[C@@H](C[NH2+]C(C)(C)C)[NH+](C)C 52422619 168348337 /nfs/dbraw/zinc/34/83/37/168348337.db2.gz PNLMIJRCSWPQFL-QMMMGPOBSA-N 2 2 158.289 1.325 10 0 ADAELP C[C@@H](C[NH2+]C1CC1)[NH+]1CCCCC1 52421153 168348626 /nfs/dbraw/zinc/34/86/26/168348626.db2.gz KRQYCIMBQIBTRZ-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H](CNc1ccc(N)c[nH+]1)[NH+](C)C 45106044 168348705 /nfs/dbraw/zinc/34/87/05/168348705.db2.gz GDYZLWISBMOUNA-QMMMGPOBSA-N 2 2 194.282 1.026 10 0 ADAELP C[C@@H](C[NH2+]CC1CCCC1)[NH+](C)C 45107402 168348942 /nfs/dbraw/zinc/34/89/42/168348942.db2.gz DBZKWPNNMBLZBZ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H](C[NH2+]C1CCC1)[NH+](C)C 44481860 168349087 /nfs/dbraw/zinc/34/90/87/168349087.db2.gz HPKMKACPGIHSHY-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@@H](C[NH2+]C(C)(C)C)n1cc[nH+]c1 52575537 168349299 /nfs/dbraw/zinc/34/92/99/168349299.db2.gz DZWUFEUYOZKFKC-VIFPVBQESA-N 2 2 181.283 1.832 10 0 ADAELP C[C@@H](Cc1ccco1)[N@@H+]1CC[C@H]([NH3+])C1 42590182 168354335 /nfs/dbraw/zinc/35/43/35/168354335.db2.gz QRZBCMYSFADBTD-UWVGGRQHSA-N 2 2 194.278 1.244 10 0 ADAELP C[C@@H](Cc1ccco1)[N@H+]1CC[C@H]([NH3+])C1 42590182 168354338 /nfs/dbraw/zinc/35/43/38/168354338.db2.gz QRZBCMYSFADBTD-UWVGGRQHSA-N 2 2 194.278 1.244 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC(F)F 49235078 168355230 /nfs/dbraw/zinc/35/52/30/168355230.db2.gz HHMAFPTTWNFNIM-ZETCQYMHSA-N 2 2 189.209 1.126 10 0 ADAELP C[C@@H](Cn1cc[nH+]c1)N1CCCC1=[NH2+] 49235769 168355496 /nfs/dbraw/zinc/35/54/96/168355496.db2.gz ZWYVWDNKOYRTRB-VIFPVBQESA-N 2 2 192.266 1.345 10 0 ADAELP C[C@@H]([NH3+])C1([NH+]2CCCC2)CCCC1 82394945 168360322 /nfs/dbraw/zinc/36/03/22/168360322.db2.gz DAXUAKCAYUPBCV-SNVBAGLBSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@@H]([NH3+])C(C)(C)[NH+]1CCCCCC1 82392985 168360930 /nfs/dbraw/zinc/36/09/30/168360930.db2.gz AGUSOWVJMFQZSK-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@@H]([NH3+])C1([NH+](C)C)CCCCC1 82400760 168360940 /nfs/dbraw/zinc/36/09/40/168360940.db2.gz AYAQHXMNXJKHPW-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1C[C@H](C)CC1(C)C 307018681 168361855 /nfs/dbraw/zinc/36/18/55/168361855.db2.gz XIHRFCWJNZYSEK-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1C[C@H](C)CC1(C)C 307018681 168361858 /nfs/dbraw/zinc/36/18/58/168361858.db2.gz XIHRFCWJNZYSEK-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([NH3+])CCCCn1cc[nH+]c1 45603847 168362347 /nfs/dbraw/zinc/36/23/47/168362347.db2.gz ODVAVHHGRXIWNL-SECBINFHSA-N 2 2 167.256 1.401 10 0 ADAELP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCC[C@@H](C)C1 44384180 168362386 /nfs/dbraw/zinc/36/23/86/168362386.db2.gz DXJNAFJOTOOVTQ-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 44384180 168362387 /nfs/dbraw/zinc/36/23/87/168362387.db2.gz DXJNAFJOTOOVTQ-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])CCCn1cc[nH+]c1 34088741 168362646 /nfs/dbraw/zinc/36/26/46/168362646.db2.gz UNOLWGUGPKXJPJ-MRVPVSSYSA-N 2 2 153.229 1.011 10 0 ADAELP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 44384187 168362945 /nfs/dbraw/zinc/36/29/45/168362945.db2.gz DXJNAFJOTOOVTQ-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 44384187 168362948 /nfs/dbraw/zinc/36/29/48/168362948.db2.gz DXJNAFJOTOOVTQ-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])CCc1ccc2[nH]c[nH+]c2c1 82588305 168363677 /nfs/dbraw/zinc/36/36/77/168363677.db2.gz BXGGRZCASHRJBW-MRVPVSSYSA-N 2 2 189.262 1.843 10 0 ADAELP C[C@@H]([NH3+])Cc1ccc2[nH]c[nH+]c2c1 45821059 168363945 /nfs/dbraw/zinc/36/39/45/168363945.db2.gz GHVYFIHTVCDPST-SSDOTTSWSA-N 2 2 175.235 1.453 10 0 ADAELP C[C@@H]([NH3+])Cc1cccc2[nH+]cn(C)c12 76208555 168364444 /nfs/dbraw/zinc/36/44/44/168364444.db2.gz ZHZATUASJPWXKL-MRVPVSSYSA-N 2 2 189.262 1.463 10 0 ADAELP C[C@@H]([NH3+])Cc1cn2cc(F)ccc2[nH+]1 82694696 168364981 /nfs/dbraw/zinc/36/49/81/168364981.db2.gz ONSZOWBVKVGRSJ-SSDOTTSWSA-N 2 2 193.225 1.363 10 0 ADAELP C[C@@H]([NH3+])Cc1cccc2[nH+]c[nH]c12 74308520 168365091 /nfs/dbraw/zinc/36/50/91/168365091.db2.gz NFKARABQLSUKSO-SSDOTTSWSA-N 2 2 175.235 1.453 10 0 ADAELP C[C@@H]([NH3+])Cc1ccc2c(c1)[nH+]cn2C 71424351 168365167 /nfs/dbraw/zinc/36/51/67/168365167.db2.gz HYBYIXQXXOANPF-MRVPVSSYSA-N 2 2 189.262 1.463 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCCC1 41053745 168365408 /nfs/dbraw/zinc/36/54/08/168365408.db2.gz JFSXZEQLXPHBDX-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCCC1 41053745 168365411 /nfs/dbraw/zinc/36/54/11/168365411.db2.gz JFSXZEQLXPHBDX-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[NH+](C)C 43102742 168365431 /nfs/dbraw/zinc/36/54/31/168365431.db2.gz YKPLSDZMGMXZDN-APPZFPTMSA-N 2 2 184.308 1.698 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccncc1 41053833 168365460 /nfs/dbraw/zinc/36/54/60/168365460.db2.gz QHTWGAARXCSUND-NXEZZACHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccncc1 41053833 168365461 /nfs/dbraw/zinc/36/54/61/168365461.db2.gz QHTWGAARXCSUND-NXEZZACHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)[NH+](C)C 42971013 168365467 /nfs/dbraw/zinc/36/54/67/168365467.db2.gz HXZXZIRPIFCWGK-KCJUWKMLSA-N 2 2 196.269 1.776 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[NH+](C)C 43353091 168365799 /nfs/dbraw/zinc/36/57/99/168365799.db2.gz UZKKPJGXINPKBR-SCZZXKLOSA-N 2 2 179.267 1.032 10 0 ADAELP C[C@@H]([NH3+])[C@@H](n1cc[nH+]c1)C(F)(F)F 43379344 168365939 /nfs/dbraw/zinc/36/59/39/168365939.db2.gz XLAGUEIDXRCYFU-PHDIDXHHSA-N 2 2 193.172 1.334 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CCCCCC1 41053729 168366005 /nfs/dbraw/zinc/36/60/05/168366005.db2.gz MFVHRHIFYRTFKC-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1Cc2ccccc2C1 50910811 168366229 /nfs/dbraw/zinc/36/62/29/168366229.db2.gz UPEPMMUMXQYDIW-NXEZZACHSA-N 2 2 190.290 1.738 10 0 ADAELP C[C@@H]([NH3+])[C@@H]([NH+]1CCCC1)C(C)(C)C 43291313 168366402 /nfs/dbraw/zinc/36/64/02/168366402.db2.gz BKFSNVQBWYBCSF-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])Cc1[nH]cc(C(C)(C)C)[nH+]1 37476858 168366542 /nfs/dbraw/zinc/36/65/42/168366542.db2.gz LZUZHTLQPINRIE-SSDOTTSWSA-N 2 2 181.283 1.597 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[NH+](C)C 43115800 168366602 /nfs/dbraw/zinc/36/66/02/168366602.db2.gz FDRFBRNYGBRZLM-APPZFPTMSA-N 2 2 184.308 1.698 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)CC1CCC1 61456146 168366694 /nfs/dbraw/zinc/36/66/94/168366694.db2.gz AHBCZDLYWLWNMP-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)CC1CCC1 61456146 168366695 /nfs/dbraw/zinc/36/66/95/168366695.db2.gz AHBCZDLYWLWNMP-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1cccnc1 41053829 168366699 /nfs/dbraw/zinc/36/66/99/168366699.db2.gz NUIBLBMCFXKPIO-NXEZZACHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1cccnc1 41053829 168366700 /nfs/dbraw/zinc/36/67/00/168366700.db2.gz NUIBLBMCFXKPIO-NXEZZACHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCC1 41053793 168366727 /nfs/dbraw/zinc/36/67/27/168366727.db2.gz OVSSOWJSHQUPLM-RKDXNWHRSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCC1 41053793 168366729 /nfs/dbraw/zinc/36/67/29/168366729.db2.gz OVSSOWJSHQUPLM-RKDXNWHRSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccccn1 41053837 168366774 /nfs/dbraw/zinc/36/67/74/168366774.db2.gz CHINHPLZZHAKEN-NXEZZACHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccccn1 41053837 168366776 /nfs/dbraw/zinc/36/67/76/168366776.db2.gz CHINHPLZZHAKEN-NXEZZACHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CCCCCCC1 41053773 168366929 /nfs/dbraw/zinc/36/69/29/168366929.db2.gz QNZYSOWEFWTQRF-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@@H]([NH3+])[C@@H](n1cc[nH+]c1)C(C)(C)C 43294790 168367061 /nfs/dbraw/zinc/36/70/61/168367061.db2.gz CNDYJNYVZSGOKQ-RKDXNWHRSA-N 2 2 181.283 1.818 10 0 ADAELP C[C@@H]([NH3+])[C@@H]([NH3+])c1ccccc1 39234753 168367213 /nfs/dbraw/zinc/36/72/13/168367213.db2.gz PRCXGQJVEKZKQR-VXNVDRBHSA-N 2 2 150.225 1.034 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1ccco1)n1cc[nH+]c1 43336356 168367503 /nfs/dbraw/zinc/36/75/03/168367503.db2.gz BNOVWJCVHNRPHN-PSASIEDQSA-N 2 2 191.234 1.413 10 0 ADAELP C[C@@H]([NH3+])[C@H](n1cc[nH+]c1)C(F)(F)F 43379340 168367655 /nfs/dbraw/zinc/36/76/55/168367655.db2.gz XLAGUEIDXRCYFU-RITPCOANSA-N 2 2 193.172 1.334 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1ccco1)[NH+]1CCCC1 43334304 168367868 /nfs/dbraw/zinc/36/78/68/168367868.db2.gz XOSGLXCTPCVESS-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1Cc2ccccc2C[NH2+]1 83591402 168367874 /nfs/dbraw/zinc/36/78/74/168367874.db2.gz OKSFGNUHABRBKT-KCJUWKMLSA-N 2 2 176.263 1.048 10 0 ADAELP C[C@@H]([NH3+])c1c[nH]c2cc[nH+]cc12 83269435 168367891 /nfs/dbraw/zinc/36/78/91/168367891.db2.gz VRIBONQBNZLAGW-ZCFIWIBFSA-N 2 2 161.208 1.583 10 0 ADAELP C[C@@H]([NH3+])[C@H]([NH3+])c1ccccc1 39234751 168368200 /nfs/dbraw/zinc/36/82/00/168368200.db2.gz PRCXGQJVEKZKQR-APPZFPTMSA-N 2 2 150.225 1.034 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c(N2CCCC2)[nH]1 82873071 168368341 /nfs/dbraw/zinc/36/83/41/168368341.db2.gz DAAHGBAHWAHQDA-SSDOTTSWSA-N 2 2 180.255 1.030 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)[NH+](C)C 42971017 168368345 /nfs/dbraw/zinc/36/83/45/168368345.db2.gz HXZXZIRPIFCWGK-LDYMZIIASA-N 2 2 196.269 1.776 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCCc2c1[nH+]cn2C 76087612 168368399 /nfs/dbraw/zinc/36/83/99/168368399.db2.gz KEVXUAWHONFCFO-HTQZYQBOSA-N 2 2 179.267 1.187 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCCc2c1[nH+]cn2C 76087604 168368453 /nfs/dbraw/zinc/36/84/53/168368453.db2.gz KEVXUAWHONFCFO-SFYZADRCSA-N 2 2 179.267 1.187 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1cccs1)[NH+](C)C 43102747 168368480 /nfs/dbraw/zinc/36/84/80/168368480.db2.gz YKPLSDZMGMXZDN-VXNVDRBHSA-N 2 2 184.308 1.698 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[NH+](C)C 43115807 168368591 /nfs/dbraw/zinc/36/85/91/168368591.db2.gz FDRFBRNYGBRZLM-VXNVDRBHSA-N 2 2 184.308 1.698 10 0 ADAELP C[C@@H]([NH3+])[C@H]([NH+]1CCCC1)C(C)(C)C 43291310 168368656 /nfs/dbraw/zinc/36/86/56/168368656.db2.gz BKFSNVQBWYBCSF-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[NH+](C)C 43353093 168368715 /nfs/dbraw/zinc/36/87/15/168368715.db2.gz UZKKPJGXINPKBR-PSASIEDQSA-N 2 2 179.267 1.032 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCCc2[nH+]cn(C)c21 76087728 168368726 /nfs/dbraw/zinc/36/87/26/168368726.db2.gz WVSHMTVSCZGMPI-HTQZYQBOSA-N 2 2 179.267 1.187 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[NH+](C)C 42913300 168368782 /nfs/dbraw/zinc/36/87/82/168368782.db2.gz ATRDMKFAKLHUCH-LDYMZIIASA-N 2 2 196.269 1.776 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c(C(C)(C)C)[nH]1 82516956 168368853 /nfs/dbraw/zinc/36/88/53/168368853.db2.gz JYVONTJXNURCFW-ZCFIWIBFSA-N 2 2 167.256 1.727 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCCc2[nH+]cn(C)c21 76087721 168368897 /nfs/dbraw/zinc/36/88/97/168368897.db2.gz WVSHMTVSCZGMPI-SFYZADRCSA-N 2 2 179.267 1.187 10 0 ADAELP C[C@@H]([NH3+])[C@H](n1cc[nH+]c1)C(C)(C)C 43294786 168368964 /nfs/dbraw/zinc/36/89/64/168368964.db2.gz CNDYJNYVZSGOKQ-BDAKNGLRSA-N 2 2 181.283 1.818 10 0 ADAELP C[C@@H]([NH3+])c1cc(N(C)C)cc[nH+]1 83269836 168370532 /nfs/dbraw/zinc/37/05/32/168370532.db2.gz JKTUVMWUKGXHMJ-SSDOTTSWSA-N 2 2 165.240 1.167 10 0 ADAELP C[C@@H]([NH3+])c1cc(N2CCCC2)cc[nH+]1 83278041 168370781 /nfs/dbraw/zinc/37/07/81/168370781.db2.gz VWKXBJNCZLIVGL-SECBINFHSA-N 2 2 191.278 1.702 10 0 ADAELP C[C@@H]([NH3+])c1cnc(C[NH+](C)C)s1 54159249 168371281 /nfs/dbraw/zinc/37/12/81/168371281.db2.gz YLUAJYDJOIHKEJ-ZCFIWIBFSA-N 2 2 185.296 1.224 10 0 ADAELP C[C@@H]([NH3+])c1ccccc1-n1cc[nH+]c1 19872836 168371480 /nfs/dbraw/zinc/37/14/80/168371480.db2.gz JEWODLJBEGSTMF-SECBINFHSA-N 2 2 187.246 1.892 10 0 ADAELP C[C@@H]([NH3+])c1nc2c(s1)C[N@H+](C)CC2 11886846 168371781 /nfs/dbraw/zinc/37/17/81/168371781.db2.gz PHKQKLMRIDYLNW-ZCFIWIBFSA-N 2 2 197.307 1.151 10 0 ADAELP C[C@@H]([NH3+])c1nc2c(s1)C[N@@H+](C)CC2 11886846 168371783 /nfs/dbraw/zinc/37/17/83/168371783.db2.gz PHKQKLMRIDYLNW-ZCFIWIBFSA-N 2 2 197.307 1.151 10 0 ADAELP C[C@@H]([NH3+])c1csc(C[NH+](C)C)n1 45206596 168372521 /nfs/dbraw/zinc/37/25/21/168372521.db2.gz XUICXUILCVMTDH-ZCFIWIBFSA-N 2 2 185.296 1.224 10 0 ADAELP C[C@@H]([N@@H+]1CCC[NH2+]CC1)C(C)(C)C 76580831 168374509 /nfs/dbraw/zinc/37/45/09/168374509.db2.gz PANNGCKOIBTVMH-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]([N@H+]1CCC[NH2+]CC1)C(C)(C)C 76580831 168374512 /nfs/dbraw/zinc/37/45/12/168374512.db2.gz PANNGCKOIBTVMH-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)C1CC1 40638705 168380427 /nfs/dbraw/zinc/38/04/27/168380427.db2.gz STJLPDHBPIWBFB-SECBINFHSA-N 2 2 193.294 1.351 10 0 ADAELP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1(C)CC1 41050951 168380701 /nfs/dbraw/zinc/38/07/01/168380701.db2.gz MGJRTOPIPBDQDB-SNVBAGLBSA-N 2 2 193.294 1.661 10 0 ADAELP C[C@@H]([NH2+]CC[NH3+])c1ccc(O)cc1 37712353 168382128 /nfs/dbraw/zinc/38/21/28/168382128.db2.gz NUAMSLNGCJHFEU-MRVPVSSYSA-N 2 2 180.251 1.002 10 0 ADAELP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc[nH]1 95068349 168382219 /nfs/dbraw/zinc/38/22/19/168382219.db2.gz MMSSIMBWAXIXSQ-ZJUUUORDSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C)C1CC1 44561602 168382347 /nfs/dbraw/zinc/38/23/47/168382347.db2.gz ZWVHWXIYVPGNCD-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C)C1CC1 44561602 168382349 /nfs/dbraw/zinc/38/23/49/168382349.db2.gz ZWVHWXIYVPGNCD-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc[nH]1 95068351 168383703 /nfs/dbraw/zinc/38/37/03/168383703.db2.gz MMSSIMBWAXIXSQ-NXEZZACHSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc[nH]1 95068243 168383728 /nfs/dbraw/zinc/38/37/28/168383728.db2.gz JXNRTNLTDSNFGB-NXEZZACHSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCCO1 54763881 168383884 /nfs/dbraw/zinc/38/38/84/168383884.db2.gz XDEWWDUYZVGJMT-SCZZXKLOSA-N 2 2 195.266 1.067 10 0 ADAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1(C)CC1 40672670 168384110 /nfs/dbraw/zinc/38/41/10/168384110.db2.gz JYKVTEICXGGNFR-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1(C)CC1 40672670 168384114 /nfs/dbraw/zinc/38/41/14/168384114.db2.gz JYKVTEICXGGNFR-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C)C1CC1 44561604 168384294 /nfs/dbraw/zinc/38/42/94/168384294.db2.gz ZWVHWXIYVPGNCD-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C)C1CC1 44561604 168384296 /nfs/dbraw/zinc/38/42/96/168384296.db2.gz ZWVHWXIYVPGNCD-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 40671968 168384366 /nfs/dbraw/zinc/38/43/66/168384366.db2.gz WAPGMRBBJYRAFG-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 40671968 168384368 /nfs/dbraw/zinc/38/43/68/168384368.db2.gz WAPGMRBBJYRAFG-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCCO1 54763887 168384600 /nfs/dbraw/zinc/38/46/00/168384600.db2.gz XDEWWDUYZVGJMT-PSASIEDQSA-N 2 2 195.266 1.067 10 0 ADAELP C[C@@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)C1CC1 19946825 168385199 /nfs/dbraw/zinc/38/51/99/168385199.db2.gz UOTRECNAIAWHPZ-BXKDBHETSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1(C)CC1 40672672 168385596 /nfs/dbraw/zinc/38/55/96/168385596.db2.gz JYKVTEICXGGNFR-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1(C)CC1 40672672 168385599 /nfs/dbraw/zinc/38/55/99/168385599.db2.gz JYKVTEICXGGNFR-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 40671970 168386037 /nfs/dbraw/zinc/38/60/37/168386037.db2.gz WAPGMRBBJYRAFG-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 40671970 168386040 /nfs/dbraw/zinc/38/60/40/168386040.db2.gz WAPGMRBBJYRAFG-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc[nH]1 95068247 168386318 /nfs/dbraw/zinc/38/63/18/168386318.db2.gz YCNPQCQSASXABC-RKDXNWHRSA-N 2 2 179.267 1.027 10 0 ADAELP C[C@@H]([NH2+][C@H]1C[NH+]2CCC1CC2)C1CC1 19946835 168386381 /nfs/dbraw/zinc/38/63/81/168386381.db2.gz UOTRECNAIAWHPZ-SKDRFNHKSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc[nH]1 95068253 168386440 /nfs/dbraw/zinc/38/64/40/168386440.db2.gz JXNRTNLTDSNFGB-ZJUUUORDSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc[nH]1 95068257 168386547 /nfs/dbraw/zinc/38/65/47/168386547.db2.gz YCNPQCQSASXABC-BDAKNGLRSA-N 2 2 179.267 1.027 10 0 ADAELP CC[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H](C)[NH3+] 136071750 343974418 /nfs/dbraw/zinc/97/44/18/343974418.db2.gz OOJGZTMJGJFZOH-BBBLOLIVSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(C)(C)[NH3+] 59569583 168437278 /nfs/dbraw/zinc/43/72/78/168437278.db2.gz GNKLIOFNPOFENA-RKDXNWHRSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](n2cc[nH+]c2)C1 36874724 168439466 /nfs/dbraw/zinc/43/94/66/168439466.db2.gz YPJBYCVFRPXYHY-OPRDCNLKSA-N 2 2 179.267 1.572 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@@H+]1C[C@@H](C)[NH3+] 136071680 343974568 /nfs/dbraw/zinc/97/45/68/343974568.db2.gz OOJGZTMJGJFZOH-UTLUCORTSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@H+]1C[C@@H](C)[NH3+] 136071680 343974569 /nfs/dbraw/zinc/97/45/69/343974569.db2.gz OOJGZTMJGJFZOH-UTLUCORTSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])Cc1ccc2c(c1)[nH+]cn2C 71424350 168551246 /nfs/dbraw/zinc/55/12/46/168551246.db2.gz HYBYIXQXXOANPF-QMMMGPOBSA-N 2 2 189.262 1.463 10 0 ADAELP C[C@H]([NH3+])[C@@H]1Cc2ccccc2C[NH2+]1 83591400 168554033 /nfs/dbraw/zinc/55/40/33/168554033.db2.gz OKSFGNUHABRBKT-KWQFWETISA-N 2 2 176.263 1.048 10 0 ADAELP C[C@H]([NH3+])c1cc(N2CCCC2)cc[nH+]1 83278040 168554599 /nfs/dbraw/zinc/55/45/99/168554599.db2.gz VWKXBJNCZLIVGL-VIFPVBQESA-N 2 2 191.278 1.702 10 0 ADAELP C[C@H](c1ccsc1)[N@@H+]1CC[C@H]([NH3+])C1 50345217 168591019 /nfs/dbraw/zinc/59/10/19/168591019.db2.gz AIJWFODFCBRWCC-SCZZXKLOSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@H](c1ccsc1)[N@H+]1CC[C@H]([NH3+])C1 50345217 168591021 /nfs/dbraw/zinc/59/10/21/168591021.db2.gz AIJWFODFCBRWCC-SCZZXKLOSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C 20055161 168609499 /nfs/dbraw/zinc/60/94/99/168609499.db2.gz PRGSCHYKJQSGFX-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP Cc1cc(Cl)cc([C@@H]([NH3+])C[NH3+])c1N 72200558 168760300 /nfs/dbraw/zinc/76/03/00/168760300.db2.gz OTQVQVLLBUCJOX-QMMMGPOBSA-N 2 2 199.685 1.189 10 0 ADAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[NH+](C)C 50578252 168762247 /nfs/dbraw/zinc/76/22/47/168762247.db2.gz ZOLJIGLQIBGWGA-LLVKDONJSA-N 2 2 196.269 1.696 10 0 ADAELP Cc1cc([C@H](C[NH3+])[NH+](C)C)c(C)[nH]1 82588023 168782195 /nfs/dbraw/zinc/78/21/95/168782195.db2.gz GVVKYIOPRHVESJ-JTQLQIEISA-N 2 2 181.283 1.193 10 0 ADAELP Cc1ccc(N[C@@H](C)C2C[NH2+]C2)c[nH+]1 335052908 168827279 /nfs/dbraw/zinc/82/72/79/168827279.db2.gz VSEQIDPNHFDBGT-VIFPVBQESA-N 2 2 191.278 1.410 10 0 ADAELP Cc1cccc2[nH+]c(CCC[NH3+])cn12 19765407 168881117 /nfs/dbraw/zinc/88/11/17/168881117.db2.gz PDPJDUSLQDXINQ-UHFFFAOYSA-N 2 2 189.262 1.534 10 0 ADAELP Cc1ccc[nH+]c1NC[C@H](C)[NH+](C)C 51041010 168886773 /nfs/dbraw/zinc/88/67/73/168886773.db2.gz KASKCTBUEJHXKY-JTQLQIEISA-N 2 2 193.294 1.752 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCCC1 43334302 168365521 /nfs/dbraw/zinc/36/55/21/168365521.db2.gz XOSGLXCTPCVESS-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[NH+](C)C 42913296 168365649 /nfs/dbraw/zinc/36/56/49/168365649.db2.gz ATRDMKFAKLHUCH-KCJUWKMLSA-N 2 2 196.269 1.776 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1ccco1)n1cc[nH+]c1 43336354 168365665 /nfs/dbraw/zinc/36/56/65/168365665.db2.gz BNOVWJCVHNRPHN-SCZZXKLOSA-N 2 2 191.234 1.413 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CCC(C)(C)CC1 61819473 168365675 /nfs/dbraw/zinc/36/56/75/168365675.db2.gz JILJVENCLCLHME-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1[nH+]c2cccc(C[NH3+])c2n1C 82868659 168958910 /nfs/dbraw/zinc/95/89/10/168958910.db2.gz AFKVAPGERLKZQV-UHFFFAOYSA-N 2 2 175.235 1.340 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)[C@H]1C 335931094 168973545 /nfs/dbraw/zinc/97/35/45/168973545.db2.gz VLNUPYGTUAUUHK-NXEZZACHSA-N 2 2 193.294 1.532 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)[C@H]1C 335931094 168973547 /nfs/dbraw/zinc/97/35/47/168973547.db2.gz VLNUPYGTUAUUHK-NXEZZACHSA-N 2 2 193.294 1.532 10 0 ADAELP Cc1ncsc1[C@H](C)[NH2+]CC[NH3+] 37713034 168981968 /nfs/dbraw/zinc/98/19/68/168981968.db2.gz AAMHIOXWOCJPKS-LURJTMIESA-N 2 2 185.296 1.061 10 0 ADAELP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(C)(C)[NH3+] 136236693 343978067 /nfs/dbraw/zinc/97/80/67/343978067.db2.gz APFYINZPZSZVRJ-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]1CC[C@H](C)[N@H+]1CC(C)(C)[NH3+] 136236693 343978068 /nfs/dbraw/zinc/97/80/68/343978068.db2.gz APFYINZPZSZVRJ-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP Cc1oc(Cn2cc[nH+]c2)cc1C[NH3+] 52575403 169010082 /nfs/dbraw/zinc/01/00/82/169010082.db2.gz KXQBPSYQYRUYNV-UHFFFAOYSA-N 2 2 191.234 1.292 10 0 ADAELP Cc1oc(C[NH3+])cc1Cn1cc[nH+]c1 52575436 169010153 /nfs/dbraw/zinc/01/01/53/169010153.db2.gz HQEHXGMZTZSAHF-UHFFFAOYSA-N 2 2 191.234 1.292 10 0 ADAELP CC[C@H]1CC[C@@H](C)[N@@H+]1CC(C)(C)[NH3+] 136236767 343978073 /nfs/dbraw/zinc/97/80/73/343978073.db2.gz APFYINZPZSZVRJ-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]1CC[C@@H](C)[N@H+]1CC(C)(C)[NH3+] 136236767 343978074 /nfs/dbraw/zinc/97/80/74/343978074.db2.gz APFYINZPZSZVRJ-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP Cc1occc1C[N@@H+](C)CC(C)(C)[NH3+] 42450038 169011549 /nfs/dbraw/zinc/01/15/49/169011549.db2.gz FHLGEGRYTAKARW-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP Cc1occc1C[N@H+](C)CC(C)(C)[NH3+] 42450038 169011550 /nfs/dbraw/zinc/01/15/50/169011550.db2.gz FHLGEGRYTAKARW-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP Cc1occc1[C@@H]([NH3+])Cc1[nH]cc[nH+]1 35382284 169011562 /nfs/dbraw/zinc/01/15/62/169011562.db2.gz FVIXIUZFKYVMNK-VIFPVBQESA-N 2 2 191.234 1.554 10 0 ADAELP Cc1occc1[C@H]([NH3+])Cc1[nH]cc[nH+]1 35382282 169011891 /nfs/dbraw/zinc/01/18/91/169011891.db2.gz FVIXIUZFKYVMNK-SECBINFHSA-N 2 2 191.234 1.554 10 0 ADAELP Cc1occc1C[N@@H+](C)C(C)(C)C[NH3+] 42449374 169011926 /nfs/dbraw/zinc/01/19/26/169011926.db2.gz YITQLTXZSJGDDZ-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP Cc1occc1C[N@H+](C)C(C)(C)C[NH3+] 42449374 169011929 /nfs/dbraw/zinc/01/19/29/169011929.db2.gz YITQLTXZSJGDDZ-UHFFFAOYSA-N 2 2 196.294 1.757 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@@H+]1CC(C)(C)[NH3+] 136236718 343978084 /nfs/dbraw/zinc/97/80/84/343978084.db2.gz APFYINZPZSZVRJ-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@H+]1CC(C)(C)[NH3+] 136236718 343978085 /nfs/dbraw/zinc/97/80/85/343978085.db2.gz APFYINZPZSZVRJ-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP Cc1sc2c[nH+]c(CC[NH3+])n2c1C 82386210 169015593 /nfs/dbraw/zinc/01/55/93/169015593.db2.gz IGXOCZDQXCEDLH-UHFFFAOYSA-N 2 2 195.291 1.514 10 0 ADAELP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(C)(C)[NH3+] 136236740 343978137 /nfs/dbraw/zinc/97/81/37/343978137.db2.gz APFYINZPZSZVRJ-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP Cn1c(C2CC2)[nH+]c2c1CC[C@@H]([NH3+])C2 76122984 169030553 /nfs/dbraw/zinc/03/05/53/169030553.db2.gz MNZMLZRPZCMUHM-MRVPVSSYSA-N 2 2 191.278 1.114 10 0 ADAELP Cn1c(C2CC2)[nH+]c2c1CC[C@H]([NH3+])C2 76122986 169030687 /nfs/dbraw/zinc/03/06/87/169030687.db2.gz MNZMLZRPZCMUHM-QMMMGPOBSA-N 2 2 191.278 1.114 10 0 ADAELP Cn1cc(CC[NH3+])[nH+]c1C(C)(C)C 29407604 169037476 /nfs/dbraw/zinc/03/74/76/169037476.db2.gz LKUXNSHKBOWGFZ-UHFFFAOYSA-N 2 2 181.283 1.219 10 0 ADAELP Cn1ccc([C@H](C[NH3+])[NH+]2CCCC2)c1 71506619 169046616 /nfs/dbraw/zinc/04/66/16/169046616.db2.gz UWQILHZLVOHYSL-NSHDSACASA-N 2 2 193.294 1.121 10 0 ADAELP Cn1ccc([C@@H](C[NH3+])[NH+]2CCCC2)c1 71506618 169046771 /nfs/dbraw/zinc/04/67/71/169046771.db2.gz UWQILHZLVOHYSL-LLVKDONJSA-N 2 2 193.294 1.121 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1ccco1 82389623 169051005 /nfs/dbraw/zinc/05/10/05/169051005.db2.gz FNBCFSBZNCUSQJ-QMMMGPOBSA-N 2 2 191.234 1.256 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])C1CCC1 82396959 169051042 /nfs/dbraw/zinc/05/10/42/169051042.db2.gz RAEDGDVOQKTQIG-SECBINFHSA-N 2 2 179.267 1.090 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])C(C)(C)C 57380545 169051620 /nfs/dbraw/zinc/05/16/20/169051620.db2.gz HANYZWVVLBCSER-QMMMGPOBSA-N 2 2 181.283 1.336 10 0 ADAELP Cn1cc[nH+]c1C1(C[NH3+])CCCCC1 82893480 169051661 /nfs/dbraw/zinc/05/16/61/169051661.db2.gz GDOWNRORAGFXFN-UHFFFAOYSA-N 2 2 193.294 1.581 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1ccco1 82389624 169051948 /nfs/dbraw/zinc/05/19/48/169051948.db2.gz FNBCFSBZNCUSQJ-MRVPVSSYSA-N 2 2 191.234 1.256 10 0 ADAELP Cn1cc[nH+]c1CC[NH2+]C1CCC1 44481884 169051955 /nfs/dbraw/zinc/05/19/55/169051955.db2.gz SPVAEMJCZYLBBQ-UHFFFAOYSA-N 2 2 179.267 1.105 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])C1CCC1 82396958 169052022 /nfs/dbraw/zinc/05/20/22/169052022.db2.gz RAEDGDVOQKTQIG-VIFPVBQESA-N 2 2 179.267 1.090 10 0 ADAELP Cn1cc[nH+]c1C[C@@H]([NH3+])C(C)(C)C 57380544 169052166 /nfs/dbraw/zinc/05/21/66/169052166.db2.gz HANYZWVVLBCSER-MRVPVSSYSA-N 2 2 181.283 1.336 10 0 ADAELP Cn1cc[nH+]c1CC[NH2+]C1CCCC1 40638556 169052545 /nfs/dbraw/zinc/05/25/45/169052545.db2.gz DSVBMVBOVYKODY-UHFFFAOYSA-N 2 2 193.294 1.495 10 0 ADAELP Cn1cc[nH+]c1C1(C[NH3+])CCCC1 33487078 169052845 /nfs/dbraw/zinc/05/28/45/169052845.db2.gz GIUPFZWIEYUQOL-UHFFFAOYSA-N 2 2 179.267 1.191 10 0 ADAELP Cn1cc[nH+]c1CNc1cc[nH+]cc1 70853908 169053024 /nfs/dbraw/zinc/05/30/24/169053024.db2.gz GNODBHXMHFTGBR-UHFFFAOYSA-N 2 2 188.234 1.427 10 0 ADAELP Cn1c[nH+]c2cc(CC[NH3+])ccc21 71424321 169055697 /nfs/dbraw/zinc/05/56/97/169055697.db2.gz BTSBAXKSPLGCNU-UHFFFAOYSA-N 2 2 175.235 1.075 10 0 ADAELP Cn1c[nH+]c2c(CCC[NH3+])cccc21 82390798 169055964 /nfs/dbraw/zinc/05/59/64/169055964.db2.gz KFJVSZCNSJLSFS-UHFFFAOYSA-N 2 2 189.262 1.465 10 0 ADAELP Cn1c[nH+]c2cc(CCC[NH3+])ccc21 74368088 169056733 /nfs/dbraw/zinc/05/67/33/169056733.db2.gz OPBYMZYZICLWGX-UHFFFAOYSA-N 2 2 189.262 1.465 10 0 ADAELP Cn1c[nH+]c2cccc(CCC[NH3+])c21 82390797 169057444 /nfs/dbraw/zinc/05/74/44/169057444.db2.gz YKLUYIKFKKBTOX-UHFFFAOYSA-N 2 2 189.262 1.465 10 0 ADAELP Cn1c[nH+]c2cccc(CC[NH3+])c21 82399015 169058304 /nfs/dbraw/zinc/05/83/04/169058304.db2.gz SKUHWXVXWIRYIM-UHFFFAOYSA-N 2 2 175.235 1.075 10 0 ADAELP Cn1c[nH+]cc1C1([NH3+])CCCC1 82403365 169058676 /nfs/dbraw/zinc/05/86/76/169058676.db2.gz AEUKIUBMEQUGFT-UHFFFAOYSA-N 2 2 165.240 1.148 10 0 ADAELP Cn1c[nH+]cc1CC[NH+]1CCCCC1 335828711 169058684 /nfs/dbraw/zinc/05/86/84/169058684.db2.gz BZDKRVFGIDAKHY-UHFFFAOYSA-N 2 2 193.294 1.449 10 0 ADAELP NC(=[NH2+])C[NH+]1CCCCCCC1 38765329 169135826 /nfs/dbraw/zinc/13/58/26/169135826.db2.gz JEUJRBNPCNKBLQ-UHFFFAOYSA-N 2 2 169.272 1.188 10 0 ADAELP NC(=[NH2+])CCCCc1c[nH]c[nH+]1 39133144 169136368 /nfs/dbraw/zinc/13/63/68/169136368.db2.gz OXAOHPQBCVYLMS-UHFFFAOYSA-N 2 2 166.228 1.058 10 0 ADAELP NC(=[NH2+])CCCCc1c[nH+]c[nH]1 39133144 169136369 /nfs/dbraw/zinc/13/63/69/169136369.db2.gz OXAOHPQBCVYLMS-UHFFFAOYSA-N 2 2 166.228 1.058 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 38790950 169136417 /nfs/dbraw/zinc/13/64/17/169136417.db2.gz UQBQGSWIRRTCSB-VHSXEESVSA-N 2 2 195.310 1.434 10 0 ADAELP NC(=[NH2+])C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 38790950 169136418 /nfs/dbraw/zinc/13/64/18/169136418.db2.gz UQBQGSWIRRTCSB-VHSXEESVSA-N 2 2 195.310 1.434 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 38791367 169136578 /nfs/dbraw/zinc/13/65/78/169136578.db2.gz RWOXPDDVWGUIPB-VHSXEESVSA-N 2 2 195.310 1.577 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC[C@@H]2CCCC[C@H]21 38791367 169136580 /nfs/dbraw/zinc/13/65/80/169136580.db2.gz RWOXPDDVWGUIPB-VHSXEESVSA-N 2 2 195.310 1.577 10 0 ADAELP NC(=[NH2+])c1ccc(-c2[nH]cc[nH+]2)cc1 75873348 169138829 /nfs/dbraw/zinc/13/88/29/169138829.db2.gz FGNFUUPUNGZEDY-UHFFFAOYSA-N 2 2 186.218 1.361 10 0 ADAELP NC(=[NH2+])c1ccc(-n2cc[nH+]c2)cc1 19865970 169140034 /nfs/dbraw/zinc/14/00/34/169140034.db2.gz QCVCUCZLIRSBIY-UHFFFAOYSA-N 2 2 186.218 1.156 10 0 ADAELP NC(=[NH2+])c1ccccc1-n1cc[nH+]c1 20076193 169140538 /nfs/dbraw/zinc/14/05/38/169140538.db2.gz QCWNGDHZJFCFKY-UHFFFAOYSA-N 2 2 186.218 1.156 10 0 ADAELP NC(=[NH2+])c1cccc(-n2cc[nH+]c2)c1 75838452 169141547 /nfs/dbraw/zinc/14/15/47/169141547.db2.gz MJLZMOZBUHKJCL-UHFFFAOYSA-N 2 2 186.218 1.156 10 0 ADAELP [NH2+]=C1NC(=[NH2+])[C@@H]2CCCC[C@@H]12 214312713 169144840 /nfs/dbraw/zinc/14/48/40/169144840.db2.gz GAOJNWROYOMPFE-PHDIDXHHSA-N 2 2 151.213 1.141 10 0 ADAELP [NH2+]=C1CCCCN1CCn1cc[nH+]c1 49584281 169144961 /nfs/dbraw/zinc/14/49/61/169144961.db2.gz QUZNXWARAIKZCK-UHFFFAOYSA-N 2 2 192.266 1.346 10 0 ADAELP [NH3+]CCC1CC[NH+](CC(F)F)CC1 42427745 169179249 /nfs/dbraw/zinc/17/92/49/169179249.db2.gz JHZSSHFDIZYARJ-UHFFFAOYSA-N 2 2 192.253 1.312 10 0 ADAELP [NH3+]CCCCCCc1c[nH]c[nH+]1 13530242 169181008 /nfs/dbraw/zinc/18/10/08/169181008.db2.gz QDMPFGBUXBHFTH-UHFFFAOYSA-N 2 2 167.256 1.471 10 0 ADAELP [NH3+]CCCCCCc1c[nH+]c[nH]1 13530242 169181011 /nfs/dbraw/zinc/18/10/11/169181011.db2.gz QDMPFGBUXBHFTH-UHFFFAOYSA-N 2 2 167.256 1.471 10 0 ADAELP [NH3+]CCCNc1cccc2[nH+]ccn12 59047427 169183955 /nfs/dbraw/zinc/18/39/55/169183955.db2.gz IEMFMHDFOWFUCV-UHFFFAOYSA-N 2 2 190.250 1.095 10 0 ADAELP [NH3+]CCCOc1cccc2[nH+]ccn12 79700200 169184573 /nfs/dbraw/zinc/18/45/73/169184573.db2.gz SBMPNWWMWLNAPB-UHFFFAOYSA-N 2 2 191.234 1.062 10 0 ADAELP Nc1ccc(SCCC[NH3+])c[nH+]1 48686959 169185008 /nfs/dbraw/zinc/18/50/08/169185008.db2.gz ZMWIARDJCFLHGU-UHFFFAOYSA-N 2 2 183.280 1.105 10 0 ADAELP Nc1[nH+]ccc(CCC[NH3+])c1Cl 95773582 169186053 /nfs/dbraw/zinc/18/60/53/169186053.db2.gz SUMIPOFJCQNNQU-UHFFFAOYSA-N 2 2 185.658 1.209 10 0 ADAELP [NH3+]CCCc1cccc2[nH+]c[nH]c12 82399016 169186148 /nfs/dbraw/zinc/18/61/48/169186148.db2.gz IYIPUSDXKITJRY-UHFFFAOYSA-N 2 2 175.235 1.454 10 0 ADAELP [NH3+]CCCc1cccc2[nH]c[nH+]c12 82399016 169186149 /nfs/dbraw/zinc/18/61/49/169186149.db2.gz IYIPUSDXKITJRY-UHFFFAOYSA-N 2 2 175.235 1.454 10 0 ADAELP [NH3+]CCCc1ccc2[nH]c[nH+]c2c1 82587787 169186196 /nfs/dbraw/zinc/18/61/96/169186196.db2.gz ONZVLCRTJOGLQE-UHFFFAOYSA-N 2 2 175.235 1.454 10 0 ADAELP Nc1cc(CCC[NH3+])[nH+]cc1Cl 95773564 169186220 /nfs/dbraw/zinc/18/62/20/169186220.db2.gz ZJSIGHHAEHCLQR-UHFFFAOYSA-N 2 2 185.658 1.209 10 0 ADAELP [NH3+]CCCc1[nH+]cc2sccn12 71478880 169186314 /nfs/dbraw/zinc/18/63/14/169186314.db2.gz JKECEZMOMVSWKE-UHFFFAOYSA-N 2 2 181.264 1.287 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccsc1 306336856 169186577 /nfs/dbraw/zinc/18/65/77/169186577.db2.gz GXTCFCPWTABGKI-JTQLQIEISA-N 2 2 196.319 1.844 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccsc1 306336856 169186579 /nfs/dbraw/zinc/18/65/79/169186579.db2.gz GXTCFCPWTABGKI-JTQLQIEISA-N 2 2 196.319 1.844 10 0 ADAELP [NH3+]CC[NH+]1CCC(c2ccco2)CC1 57489478 169186621 /nfs/dbraw/zinc/18/66/21/169186621.db2.gz UIDSUCLJJGWVFZ-UHFFFAOYSA-N 2 2 194.278 1.418 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccsc1 306336857 169187290 /nfs/dbraw/zinc/18/72/90/169187290.db2.gz GXTCFCPWTABGKI-SNVBAGLBSA-N 2 2 196.319 1.844 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccsc1 306336857 169187291 /nfs/dbraw/zinc/18/72/91/169187291.db2.gz GXTCFCPWTABGKI-SNVBAGLBSA-N 2 2 196.319 1.844 10 0 ADAELP [NH3+]CCCn1c[nH+]c2cc(O)ccc21 75935192 169187571 /nfs/dbraw/zinc/18/75/71/169187571.db2.gz CYPVIHXADDZQDP-UHFFFAOYSA-N 2 2 191.234 1.091 10 0 ADAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccco2)C1 82872911 169188592 /nfs/dbraw/zinc/18/85/92/169188592.db2.gz MGYMSFCZAJLVOI-SECBINFHSA-N 2 2 180.251 1.028 10 0 ADAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccco2)C1 82872911 169188594 /nfs/dbraw/zinc/18/85/94/169188594.db2.gz MGYMSFCZAJLVOI-SECBINFHSA-N 2 2 180.251 1.028 10 0 ADAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccco2)C1 82872912 169188741 /nfs/dbraw/zinc/18/87/41/169188741.db2.gz MGYMSFCZAJLVOI-VIFPVBQESA-N 2 2 180.251 1.028 10 0 ADAELP [NH3+]CC[N@H+]1CC[C@H](c2ccco2)C1 82872912 169188743 /nfs/dbraw/zinc/18/87/43/169188743.db2.gz MGYMSFCZAJLVOI-VIFPVBQESA-N 2 2 180.251 1.028 10 0 ADAELP [NH3+]CC[NH2+]Cc1ccc(F)cc1F 37712266 169189225 /nfs/dbraw/zinc/18/92/25/169189225.db2.gz ADNLPXGBAKOJEZ-UHFFFAOYSA-N 2 2 186.205 1.013 10 0 ADAELP [NH3+]CC[NH2+][C@@H]1CCOc2ccccc21 34753897 169189284 /nfs/dbraw/zinc/18/92/84/169189284.db2.gz GUVUAZIPSICOCA-SNVBAGLBSA-N 2 2 192.262 1.059 10 0 ADAELP [NH3+]CC[NH2+]Cc1cc2ccccc2o1 37712624 169189681 /nfs/dbraw/zinc/18/96/81/169189681.db2.gz ABUWHMSAIXWCTA-UHFFFAOYSA-N 2 2 190.246 1.481 10 0 ADAELP [NH3+]CC[NH2+]Cc1ccc(Cl)s1 37712625 169189726 /nfs/dbraw/zinc/18/97/26/169189726.db2.gz RWUNOUWUNYZAMX-UHFFFAOYSA-N 2 2 190.699 1.450 10 0 ADAELP [NH3+]CC[NH2+][C@H]1CCOc2ccccc21 34753898 169190079 /nfs/dbraw/zinc/19/00/79/169190079.db2.gz GUVUAZIPSICOCA-JTQLQIEISA-N 2 2 192.262 1.059 10 0 ADAELP [NH3+]CC[NH2+]Cc1ccc(F)c(F)c1 37712281 169190235 /nfs/dbraw/zinc/19/02/35/169190235.db2.gz FUDUCDRZISQSOC-UHFFFAOYSA-N 2 2 186.205 1.013 10 0 ADAELP [NH3+]CC[NH2+]Cc1cc(F)ccc1F 37712772 169190267 /nfs/dbraw/zinc/19/02/67/169190267.db2.gz YVGWJNGHUKSBTK-UHFFFAOYSA-N 2 2 186.205 1.013 10 0 ADAELP [NH3+]CCNc1cn[nH+]c2ccccc12 62201869 169190583 /nfs/dbraw/zinc/19/05/83/169190583.db2.gz RPLCJHCCVFVWND-UHFFFAOYSA-N 2 2 188.234 1.000 10 0 ADAELP [NH3+]CCOc1ccc2c[nH+]ccc2c1 82787638 169191971 /nfs/dbraw/zinc/19/19/71/169191971.db2.gz ZFPCCDPETKKOJI-UHFFFAOYSA-N 2 2 188.230 1.572 10 0 ADAELP [NH3+]CCOc1cccc2cc[nH+]cc12 82787644 169192413 /nfs/dbraw/zinc/19/24/13/169192413.db2.gz 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191.278 1.177 10 0 ADAELP [NH3+]C[C@@H]1CCCCC[C@H]1n1cc[nH+]c1 37159922 169206273 /nfs/dbraw/zinc/20/62/73/169206273.db2.gz MZEMXTORMWXRAF-WDEREUQCSA-N 2 2 193.294 1.963 10 0 ADAELP [NH3+]C[C@@H](c1ccc[nH]1)[NH+]1CCCC1 32026743 169206452 /nfs/dbraw/zinc/20/64/52/169206452.db2.gz PIKHEZAGHNJDBY-JTQLQIEISA-N 2 2 179.267 1.110 10 0 ADAELP [NH3+]C[C@@H](c1ccco1)n1cc[nH+]c1 43336352 169206499 /nfs/dbraw/zinc/20/64/99/169206499.db2.gz CDVUGNNGBTZMIV-QMMMGPOBSA-N 2 2 177.207 1.024 10 0 ADAELP [NH3+]C[C@@H](c1ccc[nH]1)[NH+]1CCCCC1 32026760 169206716 /nfs/dbraw/zinc/20/67/16/169206716.db2.gz GEVSXUHFBMERPH-NSHDSACASA-N 2 2 193.294 1.500 10 0 ADAELP [NH3+]C[C@@H](c1cc[nH]c1)[NH+]1CCCC1 71498070 169206734 /nfs/dbraw/zinc/20/67/34/169206734.db2.gz MHZRQEGXRKSFOD-JTQLQIEISA-N 2 2 179.267 1.110 10 0 ADAELP [NH3+]C[C@@H](c1ccsc1)n1cc[nH+]c1 43124105 169206810 /nfs/dbraw/zinc/20/68/10/169206810.db2.gz JDFHFPADCZVGMU-VIFPVBQESA-N 2 2 193.275 1.493 10 0 ADAELP [NH3+]C[C@@H](c1cccs1)n1cc[nH+]c1 43106985 169206928 /nfs/dbraw/zinc/20/69/28/169206928.db2.gz KBBANDKKIOMJAP-QMMMGPOBSA-N 2 2 193.275 1.493 10 0 ADAELP [NH3+]C[C@@H](c1cc[nH]c1)[NH+]1CCCCC1 71506633 169206999 /nfs/dbraw/zinc/20/69/99/169206999.db2.gz SEYKDTYGJTXWOO-NSHDSACASA-N 2 2 193.294 1.500 10 0 ADAELP [NH3+]C[C@@H]1CCCCC[C@@H]1n1cc[nH+]c1 37159924 169207065 /nfs/dbraw/zinc/20/70/65/169207065.db2.gz MZEMXTORMWXRAF-QWRGUYRKSA-N 2 2 193.294 1.963 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccnc1 95072848 169207458 /nfs/dbraw/zinc/20/74/58/169207458.db2.gz XFPOFKZOOMTEOC-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccnc1 95072848 169207459 /nfs/dbraw/zinc/20/74/59/169207459.db2.gz XFPOFKZOOMTEOC-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccs1 19843268 169207473 /nfs/dbraw/zinc/20/74/73/169207473.db2.gz VXJDWZNRRQPPBK-VIFPVBQESA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccs1 19843268 169207474 /nfs/dbraw/zinc/20/74/74/169207474.db2.gz VXJDWZNRRQPPBK-VIFPVBQESA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@@H]1CCC[NH2+]c2ccc(O)cc21 82388659 169207508 /nfs/dbraw/zinc/20/75/08/169207508.db2.gz WZSGEHNHBPEXTG-QMMMGPOBSA-N 2 2 192.262 1.640 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccco1 44832062 169207585 /nfs/dbraw/zinc/20/75/85/169207585.db2.gz ABUHPAKPSQRFRL-VIFPVBQESA-N 2 2 180.251 1.203 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccco1 44832062 169207587 /nfs/dbraw/zinc/20/75/87/169207587.db2.gz ABUHPAKPSQRFRL-VIFPVBQESA-N 2 2 180.251 1.203 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccsc1 36866957 169207627 /nfs/dbraw/zinc/20/76/27/169207627.db2.gz YKSUMJMJBBTOMW-JTQLQIEISA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccsc1 36866957 169207628 /nfs/dbraw/zinc/20/76/28/169207628.db2.gz YKSUMJMJBBTOMW-JTQLQIEISA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@@H]1CC[NH2+]c2ccc(O)cc2C1 82388645 169207677 /nfs/dbraw/zinc/20/76/77/169207677.db2.gz MRMPDOXFRCUPFB-MRVPVSSYSA-N 2 2 192.262 1.325 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@@H]1n1cc[nH+]c1 37159892 169207701 /nfs/dbraw/zinc/20/77/01/169207701.db2.gz VXIRWNKTUJYHRZ-IUCAKERBSA-N 2 2 165.240 1.183 10 0 ADAELP [NH3+]C[C@@H]1CCCC[C@H]1n1cc[nH+]c1 37159929 169207777 /nfs/dbraw/zinc/20/77/77/169207777.db2.gz FAIHVSIKJUVBRL-VHSXEESVSA-N 2 2 179.267 1.573 10 0 ADAELP [NH3+]C[C@@H]1CC[NH2+]c2ccc(O)cc21 82403929 169207955 /nfs/dbraw/zinc/20/79/55/169207955.db2.gz XEQIYTMAPPAJNG-ZETCQYMHSA-N 2 2 178.235 1.250 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccncc1 95072850 169208240 /nfs/dbraw/zinc/20/82/40/169208240.db2.gz SEYWCCXUFCWIMP-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccncc1 95072850 169208242 /nfs/dbraw/zinc/20/82/42/169208242.db2.gz SEYWCCXUFCWIMP-NSHDSACASA-N 2 2 191.278 1.005 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1C/C=C/Cl 82634130 169208577 /nfs/dbraw/zinc/20/85/77/169208577.db2.gz YDOHMXYTASHMBR-KHVHVRLGSA-N 2 2 174.675 1.162 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1C/C=C/Cl 82634130 169208578 /nfs/dbraw/zinc/20/85/78/169208578.db2.gz YDOHMXYTASHMBR-KHVHVRLGSA-N 2 2 174.675 1.162 10 0 ADAELP [NH3+]C[C@@H]1CCCC[C@@H]1n1cc[nH+]c1 37159931 169208746 /nfs/dbraw/zinc/20/87/46/169208746.db2.gz FAIHVSIKJUVBRL-UWVGGRQHSA-N 2 2 179.267 1.573 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@H]1n1cc[nH+]c1 37159890 169208890 /nfs/dbraw/zinc/20/88/90/169208890.db2.gz VXIRWNKTUJYHRZ-DTWKUNHWSA-N 2 2 165.240 1.183 10 0 ADAELP [NH3+]C[C@H]([NH3+])Cc1ccc(Cl)cc1 19359767 169211107 /nfs/dbraw/zinc/21/11/07/169211107.db2.gz DXJPJHDQAWNQLQ-SECBINFHSA-N 2 2 184.670 1.169 10 0 ADAELP [NH3+]C[C@@]1([NH3+])CCCc2ccccc21 34423360 169211851 /nfs/dbraw/zinc/21/18/51/169211851.db2.gz ACRKNWDSVDGHNB-NSHDSACASA-N 2 2 176.263 1.136 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc2occc2c1 44471028 169212254 /nfs/dbraw/zinc/21/22/54/169212254.db2.gz XBNHBHPILBBWRO-VIFPVBQESA-N 2 2 176.219 1.391 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc(O)c1Cl 72200290 169212294 /nfs/dbraw/zinc/21/22/94/169212294.db2.gz PTMVYKHRJWNRPH-LURJTMIESA-N 2 2 186.642 1.004 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc(F)cc(F)c1F 72200348 169212498 /nfs/dbraw/zinc/21/24/98/169212498.db2.gz DNDVRGRPFXZVHX-ZETCQYMHSA-N 2 2 190.168 1.062 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc(C(F)F)c1 72200278 169212543 /nfs/dbraw/zinc/21/25/43/169212543.db2.gz VOWMACGRWRIDTI-QMMMGPOBSA-N 2 2 186.205 1.583 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc2ccccc2c1 35677055 169212574 /nfs/dbraw/zinc/21/25/74/169212574.db2.gz XFFSBSNRWOVMFS-LBPRGKRZSA-N 2 2 186.258 1.798 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc2cc[nH]c2c1 44470704 169212586 /nfs/dbraw/zinc/21/25/86/169212586.db2.gz OQRSQHXPQXKBKS-VIFPVBQESA-N 2 2 175.235 1.126 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc2cc[nH]c12 44470464 169212612 /nfs/dbraw/zinc/21/26/12/169212612.db2.gz BIASRKMWVWZCDX-VIFPVBQESA-N 2 2 175.235 1.126 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc(F)c(Cl)c1 72200324 169212617 /nfs/dbraw/zinc/21/26/17/169212617.db2.gz CHRUJYWIGBYSHX-QMMMGPOBSA-N 2 2 188.633 1.438 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc2c(c1)CCCC2 72200350 169212654 /nfs/dbraw/zinc/21/26/54/169212654.db2.gz CJUBEYXEXFGSFK-LBPRGKRZSA-N 2 2 190.290 1.524 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc2[nH]ccc2c1 44468889 169212814 /nfs/dbraw/zinc/21/28/14/169212814.db2.gz OYBROJCBVSXAFP-VIFPVBQESA-N 2 2 175.235 1.126 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc2[nH]ccc12 44470659 169212882 /nfs/dbraw/zinc/21/28/82/169212882.db2.gz JXUFMCOOIHEGNL-VIFPVBQESA-N 2 2 175.235 1.126 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc(F)ccc1Cl 72200334 169212896 /nfs/dbraw/zinc/21/28/96/169212896.db2.gz IPFJEZJDVKNAEU-QMMMGPOBSA-N 2 2 188.633 1.438 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc2cccnc2c1 44473092 169212903 /nfs/dbraw/zinc/21/29/03/169212903.db2.gz TZMKGPFHRYCKRF-JTQLQIEISA-N 2 2 187.246 1.193 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc(C(F)F)cc1 72200276 169212934 /nfs/dbraw/zinc/21/29/34/169212934.db2.gz NMGXLTHRBCWQQZ-QMMMGPOBSA-N 2 2 186.205 1.583 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc2ccccc2s1 44470408 169212937 /nfs/dbraw/zinc/21/29/37/169212937.db2.gz XDOUJARZEYHKQM-QMMMGPOBSA-N 2 2 192.287 1.860 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc2ncccc12 44472716 169213057 /nfs/dbraw/zinc/21/30/57/169213057.db2.gz YNYFFGGOSFJCBG-JTQLQIEISA-N 2 2 187.246 1.193 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc(Cl)s1 35676923 169213086 /nfs/dbraw/zinc/21/30/86/169213086.db2.gz NLUAIUCLYPSILW-BYPYZUCNSA-N 2 2 176.672 1.360 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccccc1C(F)F 72200274 169213169 /nfs/dbraw/zinc/21/31/69/169213169.db2.gz JGHNSZLIFDEECB-QMMMGPOBSA-N 2 2 186.205 1.583 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc2ccccc12 35677145 169213178 /nfs/dbraw/zinc/21/31/78/169213178.db2.gz ZCUQOPGIJRGJDA-LBPRGKRZSA-N 2 2 186.258 1.798 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc(O)cc1Cl 72200288 169213292 /nfs/dbraw/zinc/21/32/92/169213292.db2.gz CFUHKHFIBGZMNW-QMMMGPOBSA-N 2 2 186.642 1.004 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc2c(c1)CCC2 44469774 169213308 /nfs/dbraw/zinc/21/33/08/169213308.db2.gz HGQPDTOGQSFQIL-NSHDSACASA-N 2 2 176.263 1.134 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc(F)cc2cc[nH]c12 44477315 169213345 /nfs/dbraw/zinc/21/33/45/169213345.db2.gz ASVACFGEJLKFIR-VIFPVBQESA-N 2 2 193.225 1.266 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccc(O)c(Cl)c1 44469446 169213379 /nfs/dbraw/zinc/21/33/79/169213379.db2.gz ANUNXNGAPJLFNG-ZETCQYMHSA-N 2 2 186.642 1.004 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc2cccnc12 44470402 169213400 /nfs/dbraw/zinc/21/34/00/169213400.db2.gz GZXSQOCIMXHNPC-JTQLQIEISA-N 2 2 187.246 1.193 10 0 ADAELP [NH3+]C[C@H](c1cc[nH]c1)[NH+]1CCCC1 71498067 169213624 /nfs/dbraw/zinc/21/36/24/169213624.db2.gz MHZRQEGXRKSFOD-SNVBAGLBSA-N 2 2 179.267 1.110 10 0 ADAELP [NH3+]C[C@H](c1ccc[nH]1)[NH+]1CCCC1 32026741 169213691 /nfs/dbraw/zinc/21/36/91/169213691.db2.gz PIKHEZAGHNJDBY-SNVBAGLBSA-N 2 2 179.267 1.110 10 0 ADAELP [NH3+]C[C@H](c1cc[nH]c1)[NH+]1CCCCC1 71506632 169214148 /nfs/dbraw/zinc/21/41/48/169214148.db2.gz SEYKDTYGJTXWOO-LLVKDONJSA-N 2 2 193.294 1.500 10 0 ADAELP [NH3+]C[C@H](c1ccc[nH]1)[NH+]1CCCCC1 32026759 169214324 /nfs/dbraw/zinc/21/43/24/169214324.db2.gz GEVSXUHFBMERPH-LLVKDONJSA-N 2 2 193.294 1.500 10 0 ADAELP [NH3+]C[C@H](c1cccs1)n1cc[nH+]c1 43106981 169214707 /nfs/dbraw/zinc/21/47/07/169214707.db2.gz KBBANDKKIOMJAP-MRVPVSSYSA-N 2 2 193.275 1.493 10 0 ADAELP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccsc1 36866956 169214872 /nfs/dbraw/zinc/21/48/72/169214872.db2.gz YKSUMJMJBBTOMW-SNVBAGLBSA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccsc1 36866956 169214873 /nfs/dbraw/zinc/21/48/73/169214873.db2.gz YKSUMJMJBBTOMW-SNVBAGLBSA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccco1 44832059 169215009 /nfs/dbraw/zinc/21/50/09/169215009.db2.gz ABUHPAKPSQRFRL-SECBINFHSA-N 2 2 180.251 1.203 10 0 ADAELP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccco1 44832059 169215010 /nfs/dbraw/zinc/21/50/10/169215010.db2.gz ABUHPAKPSQRFRL-SECBINFHSA-N 2 2 180.251 1.203 10 0 ADAELP [NH3+]C[C@H]1CCCCC[C@H]1n1cc[nH+]c1 37159918 169215048 /nfs/dbraw/zinc/21/50/48/169215048.db2.gz MZEMXTORMWXRAF-GHMZBOCLSA-N 2 2 193.294 1.963 10 0 ADAELP [NH3+]C[C@H]1CCCC[C@@H]1n1cc[nH+]c1 37159928 169215113 /nfs/dbraw/zinc/21/51/13/169215113.db2.gz FAIHVSIKJUVBRL-ZJUUUORDSA-N 2 2 179.267 1.573 10 0 ADAELP [NH3+]C[C@H](c1ccsc1)n1cc[nH+]c1 43124104 169215176 /nfs/dbraw/zinc/21/51/76/169215176.db2.gz JDFHFPADCZVGMU-SECBINFHSA-N 2 2 193.275 1.493 10 0 ADAELP [NH3+]C[C@H]1CCCC[C@H]1n1cc[nH+]c1 37159926 169215385 /nfs/dbraw/zinc/21/53/85/169215385.db2.gz FAIHVSIKJUVBRL-NXEZZACHSA-N 2 2 179.267 1.573 10 0 ADAELP [NH3+]C[C@H]1CCCCC[C@@H]1n1cc[nH+]c1 37159920 169215389 /nfs/dbraw/zinc/21/53/89/169215389.db2.gz MZEMXTORMWXRAF-MNOVXSKESA-N 2 2 193.294 1.963 10 0 ADAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccco1 44540052 169215425 /nfs/dbraw/zinc/21/54/25/169215425.db2.gz ZYYNBZBQUSQTKR-SNVBAGLBSA-N 2 2 194.278 1.593 10 0 ADAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccco1 44540052 169215426 /nfs/dbraw/zinc/21/54/26/169215426.db2.gz ZYYNBZBQUSQTKR-SNVBAGLBSA-N 2 2 194.278 1.593 10 0 ADAELP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccs1 19843269 169215431 /nfs/dbraw/zinc/21/54/31/169215431.db2.gz VXJDWZNRRQPPBK-SECBINFHSA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccs1 19843269 169215432 /nfs/dbraw/zinc/21/54/32/169215432.db2.gz VXJDWZNRRQPPBK-SECBINFHSA-N 2 2 196.319 1.671 10 0 ADAELP [NH3+]C[C@H](c1ccco1)n1cc[nH+]c1 43336351 169215485 /nfs/dbraw/zinc/21/54/85/169215485.db2.gz CDVUGNNGBTZMIV-MRVPVSSYSA-N 2 2 177.207 1.024 10 0 ADAELP [NH3+]C[C@H](c1ccncc1)[NH+]1CCCC1 20441569 169215585 /nfs/dbraw/zinc/21/55/85/169215585.db2.gz QFBSMXISTFKHNF-LLVKDONJSA-N 2 2 191.278 1.177 10 0 ADAELP [NH3+]C[C@H]1CCC[C@H]1n1cc[nH+]c1 37159886 169215829 /nfs/dbraw/zinc/21/58/29/169215829.db2.gz VXIRWNKTUJYHRZ-RKDXNWHRSA-N 2 2 165.240 1.183 10 0 ADAELP [NH3+]C[C@H]1CC[NH2+]c2ccc(O)cc2C1 82388646 169216146 /nfs/dbraw/zinc/21/61/46/169216146.db2.gz MRMPDOXFRCUPFB-QMMMGPOBSA-N 2 2 192.262 1.325 10 0 ADAELP [NH3+]C[C@H]1CC[NH2+]c2ccc(O)cc21 82403930 169216235 /nfs/dbraw/zinc/21/62/35/169216235.db2.gz XEQIYTMAPPAJNG-SSDOTTSWSA-N 2 2 178.235 1.250 10 0 ADAELP [NH3+]C[C@H]1CCC[NH2+]c2ccc(O)cc21 82388660 169216427 /nfs/dbraw/zinc/21/64/27/169216427.db2.gz WZSGEHNHBPEXTG-MRVPVSSYSA-N 2 2 192.262 1.640 10 0 ADAELP [NH3+]C[C@H]1CCC[C@@H]1n1cc[nH+]c1 37159888 169216432 /nfs/dbraw/zinc/21/64/32/169216432.db2.gz VXIRWNKTUJYHRZ-BDAKNGLRSA-N 2 2 165.240 1.183 10 0 ADAELP [NH3+]Cc1c[nH+]c(C2CCCC2)[nH]1 62820781 169218356 /nfs/dbraw/zinc/21/83/56/169218356.db2.gz ZLJPAKZIOJEFGB-UHFFFAOYSA-N 2 2 165.240 1.526 10 0 ADAELP [NH3+]Cc1c[nH+]c(Cc2ccccc2)[nH]1 62820787 169218685 /nfs/dbraw/zinc/21/86/85/169218685.db2.gz YOCOCUFTWSCAJB-UHFFFAOYSA-N 2 2 187.246 1.459 10 0 ADAELP [NH3+]Cc1c[nH+]c(C2CCCCC2)[nH]1 62820794 169218756 /nfs/dbraw/zinc/21/87/56/169218756.db2.gz IGPSJMNKCPGZPN-UHFFFAOYSA-N 2 2 179.267 1.916 10 0 ADAELP [NH3+]Cc1cc(C[NH+]2CCCCC2)no1 16943420 169219072 /nfs/dbraw/zinc/21/90/72/169219072.db2.gz FPPXDUJVEZNGIB-UHFFFAOYSA-N 2 2 195.266 1.119 10 0 ADAELP [NH3+]Cc1cc(-n2cc[nH+]c2)ccc1F 75844837 169219387 /nfs/dbraw/zinc/21/93/87/169219387.db2.gz NMBFETMGIHIUBD-UHFFFAOYSA-N 2 2 191.209 1.470 10 0 ADAELP [NH3+]Cc1cc(NC2CC2)cc[nH+]1 61811757 169220191 /nfs/dbraw/zinc/22/01/91/169220191.db2.gz WNZCYPFYSRJFQM-UHFFFAOYSA-N 2 2 163.224 1.115 10 0 ADAELP [NH3+]Cc1cc(NC2CCC2)cc[nH+]1 82634491 169220209 /nfs/dbraw/zinc/22/02/09/169220209.db2.gz BBEZXUCPBFUJNM-UHFFFAOYSA-N 2 2 177.251 1.505 10 0 ADAELP [NH3+]Cc1cc(Cn2cc[nH+]c2)cs1 16943238 169220212 /nfs/dbraw/zinc/22/02/12/169220212.db2.gz JYUSCFWVSPQSFZ-UHFFFAOYSA-N 2 2 193.275 1.452 10 0 ADAELP [NH3+]Cc1cc(F)ccc1-n1cc[nH+]c1 37236846 169220392 /nfs/dbraw/zinc/22/03/92/169220392.db2.gz WUDMFPPABRGCSU-UHFFFAOYSA-N 2 2 191.209 1.470 10 0 ADAELP [NH3+]Cc1cc(NC2CCCC2)cc[nH+]1 61811777 169220722 /nfs/dbraw/zinc/22/07/22/169220722.db2.gz AOGQUUOBVHJFOJ-UHFFFAOYSA-N 2 2 191.278 1.895 10 0 ADAELP [NH3+]Cc1cc(N2CCCC2)cc[nH+]1 51396117 169221113 /nfs/dbraw/zinc/22/11/13/169221113.db2.gz PNQPUTJSMGMLSS-UHFFFAOYSA-N 2 2 177.251 1.141 10 0 ADAELP Nc1[nH+]ccc2cc(C[NH3+])sc12 39123433 169221609 /nfs/dbraw/zinc/22/16/09/169221609.db2.gz GAXGNCNICWGIQC-UHFFFAOYSA-N 2 2 179.248 1.337 10 0 ADAELP [NH3+]Cc1ccc(Cn2cc[nH+]c2)s1 16942968 169222412 /nfs/dbraw/zinc/22/24/12/169222412.db2.gz KPFGZWOGSLTPMX-UHFFFAOYSA-N 2 2 193.275 1.452 10 0 ADAELP [NH3+]Cc1ccc(Cc2c[nH]c[nH+]2)cc1 95932318 169222471 /nfs/dbraw/zinc/22/24/71/169222471.db2.gz KJQFGOIAPGTTPJ-UHFFFAOYSA-N 2 2 187.246 1.459 10 0 ADAELP [NH3+]Cc1ccc(Cc2c[nH+]c[nH]2)cc1 95932318 169222472 /nfs/dbraw/zinc/22/24/72/169222472.db2.gz KJQFGOIAPGTTPJ-UHFFFAOYSA-N 2 2 187.246 1.459 10 0 ADAELP [NH3+]Cc1cccc(-n2cc[nH+]c2)c1F 75844838 169224513 /nfs/dbraw/zinc/22/45/13/169224513.db2.gz ZIWQKVIMOJMUDZ-UHFFFAOYSA-N 2 2 191.209 1.470 10 0 ADAELP [NH3+]Cc1ccccc1-c1c[nH]c[nH+]1 82868044 169224633 /nfs/dbraw/zinc/22/46/33/169224633.db2.gz ZFCZIMJYBJLQBM-UHFFFAOYSA-N 2 2 173.219 1.535 10 0 ADAELP [NH3+]Cc1cccc(F)c1-n1cc[nH+]c1 82636576 169224897 /nfs/dbraw/zinc/22/48/97/169224897.db2.gz SOKQBNBBYJKLTB-UHFFFAOYSA-N 2 2 191.209 1.470 10 0 ADAELP Nc1c(C[NH3+])c[nH+]c2ccccc12 50423047 169227025 /nfs/dbraw/zinc/22/70/25/169227025.db2.gz ZNQQEOBBGCHKCL-UHFFFAOYSA-N 2 2 173.219 1.276 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CCC1)c1ccccc1 52212251 169244084 /nfs/dbraw/zinc/24/40/84/169244084.db2.gz CPXINXQXVATQSD-LBPRGKRZSA-N 2 2 190.290 1.829 10 0 ADAELP [NH3+][C@@H](C[NH+]1CCCC1)c1cccnc1 77276597 169244210 /nfs/dbraw/zinc/24/42/10/169244210.db2.gz KTRFDUIBRFJHGJ-NSHDSACASA-N 2 2 191.278 1.177 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CC1)c1ccccc1 40408349 169244665 /nfs/dbraw/zinc/24/46/65/169244665.db2.gz VKXAZUQTUIMMAN-NSHDSACASA-N 2 2 176.263 1.438 10 0 ADAELP [NH3+][C@@H](C[NH+]1CCCC1)c1ccncc1 77276605 169244697 /nfs/dbraw/zinc/24/46/97/169244697.db2.gz CEKLUCUELGACPA-NSHDSACASA-N 2 2 191.278 1.177 10 0 ADAELP [NH3+][C@@H](CC[NH+]1CCCC1)c1ccco1 26510422 169245172 /nfs/dbraw/zinc/24/51/72/169245172.db2.gz OIZKQHIUAOVIMX-JTQLQIEISA-N 2 2 194.278 1.765 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)CC1CCCC1 38137718 169247008 /nfs/dbraw/zinc/24/70/08/169247008.db2.gz CIBWUCHSWJJEDF-SNVBAGLBSA-N 2 2 193.294 1.860 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)C1CCCC1 36946857 169247049 /nfs/dbraw/zinc/24/70/49/169247049.db2.gz VBTDBXJFPBXZHS-VIFPVBQESA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1cccs1 35382287 169247239 /nfs/dbraw/zinc/24/72/39/169247239.db2.gz HMSFCQXCLAWMBX-ZETCQYMHSA-N 2 2 193.275 1.714 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccoc1 35382258 169247267 /nfs/dbraw/zinc/24/72/67/169247267.db2.gz XFHCJWVYFDOGKP-QMMMGPOBSA-N 2 2 177.207 1.245 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccco1 35382254 169247359 /nfs/dbraw/zinc/24/73/59/169247359.db2.gz BVDAVAMEASZYJI-ZETCQYMHSA-N 2 2 177.207 1.245 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)C1CCCCC1 36946805 169247692 /nfs/dbraw/zinc/24/76/92/169247692.db2.gz CIPULMTUFCXRON-JTQLQIEISA-N 2 2 193.294 1.860 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)CC1CC1 49729476 169247792 /nfs/dbraw/zinc/24/77/92/169247792.db2.gz PGRZEUBSARNSDE-MRVPVSSYSA-N 2 2 165.240 1.080 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccsc1 35382250 169247973 /nfs/dbraw/zinc/24/79/73/169247973.db2.gz MTCHIVRTWOCUKX-QMMMGPOBSA-N 2 2 193.275 1.714 10 0 ADAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1cccs1 11848865 169247998 /nfs/dbraw/zinc/24/79/98/169247998.db2.gz KGTPWGHSCROJJT-QMMMGPOBSA-N 2 2 193.275 1.645 10 0 ADAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1ccccc1 54788509 169248012 /nfs/dbraw/zinc/24/80/12/169248012.db2.gz YEZNNIUBVIEWCE-NSHDSACASA-N 2 2 187.246 1.652 10 0 ADAELP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1ccccc1 54788509 169248013 /nfs/dbraw/zinc/24/80/13/169248013.db2.gz YEZNNIUBVIEWCE-NSHDSACASA-N 2 2 187.246 1.652 10 0 ADAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccco1 40544025 169248256 /nfs/dbraw/zinc/24/82/56/169248256.db2.gz MIKAAVMGCWBMJU-QMMMGPOBSA-N 2 2 177.207 1.176 10 0 ADAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)C1CCC1 36946859 169248286 /nfs/dbraw/zinc/24/82/86/169248286.db2.gz KTEJODVGKVPJNG-QMMMGPOBSA-N 2 2 165.240 1.080 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1ccc(F)cc1 57489385 169251554 /nfs/dbraw/zinc/25/15/54/169251554.db2.gz RFWYLXGEHPBJHF-MNOVXSKESA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1ccccc1 33961548 169251755 /nfs/dbraw/zinc/25/17/55/169251755.db2.gz GFMAFYNUQDLPBP-MNOVXSKESA-N 2 2 176.263 1.438 10 0 ADAELP [NH3+][C@@H]1CCCCC[C@@H]1n1cc[nH+]c1 23067204 169251846 /nfs/dbraw/zinc/25/18/46/169251846.db2.gz CQYGFMMGUOXITG-ZJUUUORDSA-N 2 2 179.267 1.716 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1n1cc[nH+]c1 11848859 169251870 /nfs/dbraw/zinc/25/18/70/169251870.db2.gz XIIBUBHNEJEMQC-BDAKNGLRSA-N 2 2 165.240 1.326 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1ccco1 58518115 169251928 /nfs/dbraw/zinc/25/19/28/169251928.db2.gz OLVWLYXNYOGOGH-APPZFPTMSA-N 2 2 166.224 1.031 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1n1cc[nH+]c1 11848861 169252059 /nfs/dbraw/zinc/25/20/59/169252059.db2.gz XIIBUBHNEJEMQC-RKDXNWHRSA-N 2 2 165.240 1.326 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1ccco1 58518117 169252133 /nfs/dbraw/zinc/25/21/33/169252133.db2.gz OLVWLYXNYOGOGH-VXNVDRBHSA-N 2 2 166.224 1.031 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1ccccc1F 57489376 169252176 /nfs/dbraw/zinc/25/21/76/169252176.db2.gz RAUVOZLSQTVVJZ-GHMZBOCLSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@@H]1CCCN(c2cccc[nH+]2)CC1 76635217 169252378 /nfs/dbraw/zinc/25/23/78/169252378.db2.gz NHVYJDGZKMXNRP-SNVBAGLBSA-N 2 2 191.278 1.399 10 0 ADAELP [NH3+][C@@H]1CCCCC[C@H]1n1cc[nH+]c1 23067208 169252462 /nfs/dbraw/zinc/25/24/62/169252462.db2.gz CQYGFMMGUOXITG-NXEZZACHSA-N 2 2 179.267 1.716 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1ccccc1F 19368242 169252469 /nfs/dbraw/zinc/25/24/69/169252469.db2.gz RAUVOZLSQTVVJZ-MNOVXSKESA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1ccc(F)cc1 57489383 169252479 /nfs/dbraw/zinc/25/24/79/169252479.db2.gz RFWYLXGEHPBJHF-GHMZBOCLSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1c1c[nH+]c[nH]1 34984446 169252818 /nfs/dbraw/zinc/25/28/18/169252818.db2.gz MUHUWRJWVGDFJX-RNFRBKRXSA-N 2 2 151.213 1.005 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1c1c[nH]c[nH+]1 34984446 169252819 /nfs/dbraw/zinc/25/28/19/169252819.db2.gz MUHUWRJWVGDFJX-RNFRBKRXSA-N 2 2 151.213 1.005 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccoc1 335041292 169252942 /nfs/dbraw/zinc/25/29/42/169252942.db2.gz GYTWILUZMBXODL-NXEZZACHSA-N 2 2 180.251 1.249 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CCCCCC1 23069168 169252992 /nfs/dbraw/zinc/25/29/92/169252992.db2.gz YMBKIIKDZJSVFM-MNOVXSKESA-N 2 2 182.311 1.742 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 335041300 169253102 /nfs/dbraw/zinc/25/31/02/169253102.db2.gz GYTWILUZMBXODL-ZJUUUORDSA-N 2 2 180.251 1.249 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[NH+]1CCCCCC1 23069171 169253498 /nfs/dbraw/zinc/25/34/98/169253498.db2.gz YMBKIIKDZJSVFM-GHMZBOCLSA-N 2 2 182.311 1.742 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1c1c[nH+]c[nH]1 34984447 169253667 /nfs/dbraw/zinc/25/36/67/169253667.db2.gz MUHUWRJWVGDFJX-NKWVEPMBSA-N 2 2 151.213 1.005 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1c1c[nH]c[nH+]1 34984447 169253669 /nfs/dbraw/zinc/25/36/69/169253669.db2.gz MUHUWRJWVGDFJX-NKWVEPMBSA-N 2 2 151.213 1.005 10 0 ADAELP [NH3+][C@@H]1CC[N@H+](CCc2ccsc2)C1 49183868 169254140 /nfs/dbraw/zinc/25/41/40/169254140.db2.gz KYRFWERZDYEWKZ-SNVBAGLBSA-N 2 2 196.319 1.324 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+](CCc2ccsc2)C1 49183868 169254142 /nfs/dbraw/zinc/25/41/42/169254142.db2.gz KYRFWERZDYEWKZ-SNVBAGLBSA-N 2 2 196.319 1.324 10 0 ADAELP [NH3+][C@@H]1CCc2cc(F)ccc2[C@H]1[NH3+] 39269598 169255362 /nfs/dbraw/zinc/25/53/62/169255362.db2.gz NIDILJJOTVEQQV-NXEZZACHSA-N 2 2 180.226 1.099 10 0 ADAELP [NH3+][C@@H]1CCc2cc(Cl)ccc2[C@H]1[NH3+] 39269586 169255711 /nfs/dbraw/zinc/25/57/11/169255711.db2.gz IXWMZTBEVSFFNO-NXEZZACHSA-N 2 2 196.681 1.613 10 0 ADAELP [NH3+][C@@H]1c2ccccc2C[C@@H]1n1cc[nH+]c1 23071624 169261225 /nfs/dbraw/zinc/26/12/25/169261225.db2.gz MQTAIGTWPYAXBQ-NWDGAFQWSA-N 2 2 199.257 1.680 10 0 ADAELP [NH3+][C@@H]1c2ccccc2C[C@H]1n1cc[nH+]c1 23071627 169261390 /nfs/dbraw/zinc/26/13/90/169261390.db2.gz MQTAIGTWPYAXBQ-VXGBXAGGSA-N 2 2 199.257 1.680 10 0 ADAELP [NH3+][C@@H]1c2cccc3cccc(c23)[C@H]1[NH3+] 62719370 169261533 /nfs/dbraw/zinc/26/15/33/169261533.db2.gz KLAJJYCQTUMBLP-VXGBXAGGSA-N 2 2 184.242 1.853 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CC1)c1ccccc1 40408345 169264654 /nfs/dbraw/zinc/26/46/54/169264654.db2.gz VKXAZUQTUIMMAN-LLVKDONJSA-N 2 2 176.263 1.438 10 0 ADAELP [NH3+][C@H](C[NH+]1CCCC1)c1cccnc1 77276593 169264958 /nfs/dbraw/zinc/26/49/58/169264958.db2.gz KTRFDUIBRFJHGJ-LLVKDONJSA-N 2 2 191.278 1.177 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CCC1)c1ccccc1 52212248 169265027 /nfs/dbraw/zinc/26/50/27/169265027.db2.gz CPXINXQXVATQSD-GFCCVEGCSA-N 2 2 190.290 1.829 10 0 ADAELP [NH3+][C@H](CC[NH+]1CCCC1)c1ccco1 26510424 169265349 /nfs/dbraw/zinc/26/53/49/169265349.db2.gz OIZKQHIUAOVIMX-SNVBAGLBSA-N 2 2 194.278 1.765 10 0 ADAELP [NH3+][C@H](C[NH+]1CCCC1)c1ccncc1 77276602 169265908 /nfs/dbraw/zinc/26/59/08/169265908.db2.gz CEKLUCUELGACPA-LLVKDONJSA-N 2 2 191.278 1.177 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)C1CCCC1 36946858 169267472 /nfs/dbraw/zinc/26/74/72/169267472.db2.gz VBTDBXJFPBXZHS-SECBINFHSA-N 2 2 179.267 1.470 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)C1CCCCC1 36946806 169267861 /nfs/dbraw/zinc/26/78/61/169267861.db2.gz CIPULMTUFCXRON-SNVBAGLBSA-N 2 2 193.294 1.860 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)CC1CC1 49729478 169267878 /nfs/dbraw/zinc/26/78/78/169267878.db2.gz PGRZEUBSARNSDE-QMMMGPOBSA-N 2 2 165.240 1.080 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccsc1 35382248 169267922 /nfs/dbraw/zinc/26/79/22/169267922.db2.gz MTCHIVRTWOCUKX-MRVPVSSYSA-N 2 2 193.275 1.714 10 0 ADAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1ccccc1 54788508 169267981 /nfs/dbraw/zinc/26/79/81/169267981.db2.gz YEZNNIUBVIEWCE-LLVKDONJSA-N 2 2 187.246 1.652 10 0 ADAELP [NH3+][C@H](Cc1c[nH]c[nH+]1)c1ccccc1 54788508 169267982 /nfs/dbraw/zinc/26/79/82/169267982.db2.gz YEZNNIUBVIEWCE-LLVKDONJSA-N 2 2 187.246 1.652 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)CC1CCCC1 38137719 169267995 /nfs/dbraw/zinc/26/79/95/169267995.db2.gz CIBWUCHSWJJEDF-JTQLQIEISA-N 2 2 193.294 1.860 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)C1CCC1 36946860 169268045 /nfs/dbraw/zinc/26/80/45/169268045.db2.gz KTEJODVGKVPJNG-MRVPVSSYSA-N 2 2 165.240 1.080 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccoc1 35382256 169268052 /nfs/dbraw/zinc/26/80/52/169268052.db2.gz XFHCJWVYFDOGKP-MRVPVSSYSA-N 2 2 177.207 1.245 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccco1 35382252 169268166 /nfs/dbraw/zinc/26/81/66/169268166.db2.gz BVDAVAMEASZYJI-SSDOTTSWSA-N 2 2 177.207 1.245 10 0 ADAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1cccs1 35382285 169268744 /nfs/dbraw/zinc/26/87/44/169268744.db2.gz HMSFCQXCLAWMBX-SSDOTTSWSA-N 2 2 193.275 1.714 10 0 ADAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccco1 40544022 169269594 /nfs/dbraw/zinc/26/95/94/169269594.db2.gz MIKAAVMGCWBMJU-MRVPVSSYSA-N 2 2 177.207 1.176 10 0 ADAELP [NH3+][C@H](Cn1cc[nH+]c1)c1cccs1 11848866 169270310 /nfs/dbraw/zinc/27/03/10/169270310.db2.gz KGTPWGHSCROJJT-MRVPVSSYSA-N 2 2 193.275 1.645 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccccc1 33961549 169271992 /nfs/dbraw/zinc/27/19/92/169271992.db2.gz GFMAFYNUQDLPBP-WDEREUQCSA-N 2 2 176.263 1.438 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccco1 58518119 169272043 /nfs/dbraw/zinc/27/20/43/169272043.db2.gz OLVWLYXNYOGOGH-CBAPKCEASA-N 2 2 166.224 1.031 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccc(F)cc1 57489386 169272145 /nfs/dbraw/zinc/27/21/45/169272145.db2.gz RFWYLXGEHPBJHF-WDEREUQCSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@H]1CCCCC[C@@H]1n1cc[nH+]c1 23067206 169272197 /nfs/dbraw/zinc/27/21/97/169272197.db2.gz CQYGFMMGUOXITG-UWVGGRQHSA-N 2 2 179.267 1.716 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1ccc(F)cc1 57489389 169272630 /nfs/dbraw/zinc/27/26/30/169272630.db2.gz RFWYLXGEHPBJHF-QWRGUYRKSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccccc1F 57489379 169272677 /nfs/dbraw/zinc/27/26/77/169272677.db2.gz RAUVOZLSQTVVJZ-WDEREUQCSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@H]1CCCC[C@H]1n1cc[nH+]c1 11848862 169272739 /nfs/dbraw/zinc/27/27/39/169272739.db2.gz XIIBUBHNEJEMQC-DTWKUNHWSA-N 2 2 165.240 1.326 10 0 ADAELP [NH3+][C@H]1CCCN(c2cccc[nH+]2)CC1 76635215 169272748 /nfs/dbraw/zinc/27/27/48/169272748.db2.gz NHVYJDGZKMXNRP-JTQLQIEISA-N 2 2 191.278 1.399 10 0 ADAELP [NH3+][C@H]1CCCC[C@@H]1n1cc[nH+]c1 11848860 169272816 /nfs/dbraw/zinc/27/28/16/169272816.db2.gz XIIBUBHNEJEMQC-IUCAKERBSA-N 2 2 165.240 1.326 10 0 ADAELP [NH3+][C@H]1CCCCC[C@H]1n1cc[nH+]c1 23067210 169272880 /nfs/dbraw/zinc/27/28/80/169272880.db2.gz CQYGFMMGUOXITG-VHSXEESVSA-N 2 2 179.267 1.716 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1[NH+]1CCCCCC1 23069170 169273005 /nfs/dbraw/zinc/27/30/05/169273005.db2.gz YMBKIIKDZJSVFM-QWRGUYRKSA-N 2 2 182.311 1.742 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccoc1 335041297 169273025 /nfs/dbraw/zinc/27/30/25/169273025.db2.gz GYTWILUZMBXODL-VHSXEESVSA-N 2 2 180.251 1.249 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1[NH+]1CCCCCC1 23069173 169273322 /nfs/dbraw/zinc/27/33/22/169273322.db2.gz YMBKIIKDZJSVFM-WDEREUQCSA-N 2 2 182.311 1.742 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1c1c[nH+]c[nH]1 34984445 169273409 /nfs/dbraw/zinc/27/34/09/169273409.db2.gz MUHUWRJWVGDFJX-RQJHMYQMSA-N 2 2 151.213 1.005 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1c1c[nH]c[nH+]1 34984445 169273410 /nfs/dbraw/zinc/27/34/10/169273410.db2.gz MUHUWRJWVGDFJX-RQJHMYQMSA-N 2 2 151.213 1.005 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 335041295 169273448 /nfs/dbraw/zinc/27/34/48/169273448.db2.gz GYTWILUZMBXODL-UWVGGRQHSA-N 2 2 180.251 1.249 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1c1c[nH+]c[nH]1 13741219 169273588 /nfs/dbraw/zinc/27/35/88/169273588.db2.gz MUHUWRJWVGDFJX-BQBZGAKWSA-N 2 2 151.213 1.005 10 0 in-vivo ADAELP [NH3+][C@H]1CCC[C@@H]1c1c[nH]c[nH+]1 13741219 169273589 /nfs/dbraw/zinc/27/35/89/169273589.db2.gz MUHUWRJWVGDFJX-BQBZGAKWSA-N 2 2 151.213 1.005 10 0 in-vivo ADAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1ccccc1F 57489380 169273816 /nfs/dbraw/zinc/27/38/16/169273816.db2.gz RAUVOZLSQTVVJZ-QWRGUYRKSA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1ccco1 58518122 169273918 /nfs/dbraw/zinc/27/39/18/169273918.db2.gz OLVWLYXNYOGOGH-IONNQARKSA-N 2 2 166.224 1.031 10 0 ADAELP [NH3+][C@H]1CC[N@H+](CCc2ccsc2)C1 49183866 169274092 /nfs/dbraw/zinc/27/40/92/169274092.db2.gz KYRFWERZDYEWKZ-JTQLQIEISA-N 2 2 196.319 1.324 10 0 ADAELP [NH3+][C@H]1CC[N@@H+](CCc2ccsc2)C1 49183866 169274093 /nfs/dbraw/zinc/27/40/93/169274093.db2.gz KYRFWERZDYEWKZ-JTQLQIEISA-N 2 2 196.319 1.324 10 0 ADAELP [NH3+][C@H]1CCc2cc(Cl)ccc2[C@H]1[NH3+] 39269585 169275478 /nfs/dbraw/zinc/27/54/78/169275478.db2.gz IXWMZTBEVSFFNO-VHSXEESVSA-N 2 2 196.681 1.613 10 0 ADAELP [NH3+][C@H]1CCc2cc(F)ccc2[C@@H]1[NH3+] 39269599 169275694 /nfs/dbraw/zinc/27/56/94/169275694.db2.gz NIDILJJOTVEQQV-UWVGGRQHSA-N 2 2 180.226 1.099 10 0 ADAELP [NH3+][C@H]1CCc2cc(F)ccc2[C@H]1[NH3+] 39269597 169275827 /nfs/dbraw/zinc/27/58/27/169275827.db2.gz NIDILJJOTVEQQV-VHSXEESVSA-N 2 2 180.226 1.099 10 0 ADAELP [NH3+][C@H]1CCc2cc(Cl)ccc2[C@@H]1[NH3+] 39269587 169276321 /nfs/dbraw/zinc/27/63/21/169276321.db2.gz IXWMZTBEVSFFNO-UWVGGRQHSA-N 2 2 196.681 1.613 10 0 ADAELP [NH3+][C@H]1c2ccccc2C[C@H]1n1cc[nH+]c1 23071626 169280437 /nfs/dbraw/zinc/28/04/37/169280437.db2.gz MQTAIGTWPYAXBQ-NEPJUHHUSA-N 2 2 199.257 1.680 10 0 ADAELP [NH3+][C@H]1c2ccccc2C[C@@H]1n1cc[nH+]c1 23071623 169281204 /nfs/dbraw/zinc/28/12/04/169281204.db2.gz MQTAIGTWPYAXBQ-RYUDHWBXSA-N 2 2 199.257 1.680 10 0 ADAELP [NH3+][C@H]1c2cccc3cccc(c23)[C@H]1[NH3+] 62719367 169281326 /nfs/dbraw/zinc/28/13/26/169281326.db2.gz KLAJJYCQTUMBLP-TXEJJXNPSA-N 2 2 184.242 1.853 10 0 ADAELP [NH3+][C@H]1c2ccc(F)cc2CC[C@H]1[NH3+] 39269600 169281713 /nfs/dbraw/zinc/28/17/13/169281713.db2.gz NIDILJJOTVEQQV-ZJUUUORDSA-N 2 2 180.226 1.099 10 0 ADAELP [NH3+][C@H]1c2cccc3cccc(c23)[C@@H]1[NH3+] 62719372 169281753 /nfs/dbraw/zinc/28/17/53/169281753.db2.gz KLAJJYCQTUMBLP-RYUDHWBXSA-N 2 2 184.242 1.853 10 0 ADAELP [NH3+][C@H]1c2ccc(Cl)cc2CC[C@H]1[NH3+] 39269588 169281828 /nfs/dbraw/zinc/28/18/28/169281828.db2.gz IXWMZTBEVSFFNO-ZJUUUORDSA-N 2 2 196.681 1.613 10 0 ADAELP Nc1cc(-c2cc[nH+]c(N)c2)cc[nH+]1 39168702 169284092 /nfs/dbraw/zinc/28/40/92/169284092.db2.gz ZYRCSFAMFIQCHY-UHFFFAOYSA-N 2 2 186.218 1.308 10 0 ADAELP Nc1ccc(S[C@H]2CC[NH2+]C2)c[nH+]1 51784229 169293650 /nfs/dbraw/zinc/29/36/50/169293650.db2.gz IDNTZJJOJCVPDQ-QMMMGPOBSA-N 2 2 195.291 1.118 10 0 ADAELP Nc1ccc(S[C@@H]2CC[NH2+]C2)c[nH+]1 51784227 169293967 /nfs/dbraw/zinc/29/39/67/169293967.db2.gz IDNTZJJOJCVPDQ-MRVPVSSYSA-N 2 2 195.291 1.118 10 0 ADAELP c1[nH]cc(CC[C@@H]2CCC[NH2+]C2)[nH+]1 13530269 169488379 /nfs/dbraw/zinc/48/83/79/169488379.db2.gz ARRCCCIOHBCTKB-VIFPVBQESA-N 2 2 179.267 1.342 10 0 ADAELP c1[nH]c(CC[C@@H]2CCC[NH2+]C2)c[nH+]1 13530269 169488380 /nfs/dbraw/zinc/48/83/80/169488380.db2.gz ARRCCCIOHBCTKB-VIFPVBQESA-N 2 2 179.267 1.342 10 0 ADAELP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccco1 139305805 343994082 /nfs/dbraw/zinc/99/40/82/343994082.db2.gz BKYQZKWVGRPQDJ-SECBINFHSA-N 2 2 191.234 1.485 10 0 ADAELP C[C@@]1([NH2+]Cc2ccccc2)CC[NH2+]C1 140895802 344002661 /nfs/dbraw/zinc/00/26/61/344002661.db2.gz AIHDBAUQJMCYKQ-GFCCVEGCSA-N 2 2 190.290 1.528 10 0 ADAELP C[NH+](C)C[C@H]1[NH2+]CCCC1(C)C 145472074 344033820 /nfs/dbraw/zinc/03/38/20/344033820.db2.gz SPLSUMUDMCXSRQ-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP C[N@@H+]1CCCC[C@H]1Cc1c[nH]c[nH+]1 3793849 171010572 /nfs/dbraw/zinc/01/05/72/171010572.db2.gz RMWRSGFHUAZSIF-JTQLQIEISA-N 2 2 179.267 1.437 10 0 ADAELP C[N@H+]1CCCC[C@H]1Cc1c[nH]c[nH+]1 3793849 171010575 /nfs/dbraw/zinc/01/05/75/171010575.db2.gz RMWRSGFHUAZSIF-JTQLQIEISA-N 2 2 179.267 1.437 10 0 ADAELP C[NH+]1CCC(Cc2c[nH]c[nH+]2)CC1 6716245 171020852 /nfs/dbraw/zinc/02/08/52/171020852.db2.gz KIAVPENCSGKVQP-UHFFFAOYSA-N 2 2 179.267 1.294 10 0 in-vitro ADAELP C[NH+]1CCC(Cc2c[nH+]c[nH]2)CC1 6716245 171020854 /nfs/dbraw/zinc/02/08/54/171020854.db2.gz KIAVPENCSGKVQP-UHFFFAOYSA-N 2 2 179.267 1.294 10 0 in-vitro ADAELP CC[NH+](CC)[C@@H]1CCCCC[C@@H]1[NH3+] 23067503 171042845 /nfs/dbraw/zinc/04/28/45/171042845.db2.gz RRKMZVXKPONLNC-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP C1C[NH+]=C([C@H]2CCC[NH2+]C2)C1 12357318 171044482 /nfs/dbraw/zinc/04/44/82/171044482.db2.gz FWSMVITUMAYJND-QMMMGPOBSA-N 2 2 152.241 1.221 10 0 ADAELP [NH3+]C[C@]1([NH3+])CCCc2ccccc21 34423362 171054996 /nfs/dbraw/zinc/05/49/96/171054996.db2.gz ACRKNWDSVDGHNB-LLVKDONJSA-N 2 2 176.263 1.136 10 0 ADAELP CC(C)c1cn2cc(C[NH3+])ccc2[nH+]1 36243503 171059907 /nfs/dbraw/zinc/05/99/07/171059907.db2.gz IZPAJWKXCRRAEP-UHFFFAOYSA-N 2 2 189.262 1.916 10 0 ADAELP CC(C)c1cn2ccc(C[NH3+])cc2[nH+]1 36243465 171059925 /nfs/dbraw/zinc/05/99/25/171059925.db2.gz XZABHYLKLMRBGC-UHFFFAOYSA-N 2 2 189.262 1.916 10 0 ADAELP [NH3+]C1CC[NH+](C/C=C/Cl)CC1 36754858 171061722 /nfs/dbraw/zinc/06/17/22/171061722.db2.gz DLJSKRKTLVMUCM-DAFODLJHSA-N 2 2 174.675 1.162 10 0 ADAELP CC(C)(C)[C@@H]([NH3+])Cc1[nH]cc[nH+]1 36946712 171062061 /nfs/dbraw/zinc/06/20/61/171062061.db2.gz UYHQWENTGGXEPX-ZETCQYMHSA-N 2 2 167.256 1.326 10 0 ADAELP Cc1ccccc1C[C@@H]([NH3+])C[NH+](C)C 71506216 171065406 /nfs/dbraw/zinc/06/54/06/171065406.db2.gz XMKNHDVEBMAKJC-GFCCVEGCSA-N 2 2 192.306 1.426 10 0 ADAELP Cc1ccccc1C[C@H]([NH3+])C[NH+](C)C 71506215 171065679 /nfs/dbraw/zinc/06/56/79/171065679.db2.gz XMKNHDVEBMAKJC-LBPRGKRZSA-N 2 2 192.306 1.426 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]C(C)(C)C)C1 73651974 171066137 /nfs/dbraw/zinc/06/61/37/171066137.db2.gz GCJHNKBIDVYCSI-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]C(C)(C)C)C1 73651974 171066139 /nfs/dbraw/zinc/06/61/39/171066139.db2.gz GCJHNKBIDVYCSI-SECBINFHSA-N 2 2 170.300 1.469 10 0 ADAELP COC(=[NH2+])CCCc1c[nH+]c[nH]1 39136854 171077041 /nfs/dbraw/zinc/07/70/41/171077041.db2.gz MMZDWHKDNQLWFG-UHFFFAOYSA-N 2 2 167.212 1.356 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 41051481 171082441 /nfs/dbraw/zinc/08/24/41/171082441.db2.gz CWWJSEPKTLYRAJ-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)C)C1 41051481 171082442 /nfs/dbraw/zinc/08/24/42/171082442.db2.gz CWWJSEPKTLYRAJ-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[NH2+][C@@H](C)C[NH+]1CCCC1 42320668 171085872 /nfs/dbraw/zinc/08/58/72/171085872.db2.gz UAJISEHZSWDAQI-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CC(C)(C)[C@@H](C[NH3+])n1cc[nH+]c1 43294773 171087296 /nfs/dbraw/zinc/08/72/96/171087296.db2.gz ZTHIAFDTLIPZQB-MRVPVSSYSA-N 2 2 167.256 1.429 10 0 ADAELP c1c[nH]c(C[NH2+]CCc2c[nH]c[nH+]2)c1 83341582 171089232 /nfs/dbraw/zinc/08/92/32/171089232.db2.gz SMVKRBFJFGMRGQ-UHFFFAOYSA-N 2 2 190.250 1.070 10 0 ADAELP c1c[nH]c(C[NH2+]CCc2c[nH+]c[nH]2)c1 83341582 171089233 /nfs/dbraw/zinc/08/92/33/171089233.db2.gz SMVKRBFJFGMRGQ-UHFFFAOYSA-N 2 2 190.250 1.070 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC1 44560814 171090395 /nfs/dbraw/zinc/09/03/95/171090395.db2.gz SJXOHAPFSXIJJJ-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+]C1CCC1 44560814 171090396 /nfs/dbraw/zinc/09/03/96/171090396.db2.gz SJXOHAPFSXIJJJ-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC2)C1 44481891 171090476 /nfs/dbraw/zinc/09/04/76/171090476.db2.gz KYAFJMSZNNAAON-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]C2CCC2)C1 44481891 171090479 /nfs/dbraw/zinc/09/04/79/171090479.db2.gz KYAFJMSZNNAAON-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC1 44560813 171090760 /nfs/dbraw/zinc/09/07/60/171090760.db2.gz SJXOHAPFSXIJJJ-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC1 44560813 171090761 /nfs/dbraw/zinc/09/07/61/171090761.db2.gz SJXOHAPFSXIJJJ-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP COc1ccc([NH2+]CCCC[NH3+])cc1 49811390 171095070 /nfs/dbraw/zinc/09/50/70/171095070.db2.gz QKZTYHRXNUMXGU-UHFFFAOYSA-N 2 2 194.278 1.846 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCCC2)C1 50271993 171095706 /nfs/dbraw/zinc/09/57/06/171095706.db2.gz WGJWMMYIOVVQOI-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]CC2CCCC2)C1 50271993 171095707 /nfs/dbraw/zinc/09/57/07/171095707.db2.gz WGJWMMYIOVVQOI-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 50818576 171096569 /nfs/dbraw/zinc/09/65/69/171096569.db2.gz JVBQRDUTKJRKNI-UHFFFAOYSA-N 2 2 188.234 1.368 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC1(C)C 54243798 171098326 /nfs/dbraw/zinc/09/83/26/171098326.db2.gz LUIGWQQIQZGBMO-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC1(C)C 54243798 171098329 /nfs/dbraw/zinc/09/83/29/171098329.db2.gz LUIGWQQIQZGBMO-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C(C)(C)C 53652558 171098352 /nfs/dbraw/zinc/09/83/52/171098352.db2.gz SKYROKUFHMCHIO-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C(C)(C)C 53652558 171098354 /nfs/dbraw/zinc/09/83/54/171098354.db2.gz SKYROKUFHMCHIO-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC1(C)C 54243797 171098664 /nfs/dbraw/zinc/09/86/64/171098664.db2.gz LUIGWQQIQZGBMO-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC1(C)C 54243797 171098666 /nfs/dbraw/zinc/09/86/66/171098666.db2.gz LUIGWQQIQZGBMO-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC1(C)C 54243796 171098760 /nfs/dbraw/zinc/09/87/60/171098760.db2.gz LUIGWQQIQZGBMO-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC1(C)C 54243796 171098761 /nfs/dbraw/zinc/09/87/61/171098761.db2.gz LUIGWQQIQZGBMO-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CC1(C)C 54243795 171098858 /nfs/dbraw/zinc/09/88/58/171098858.db2.gz LUIGWQQIQZGBMO-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CC1(C)C 54243795 171098860 /nfs/dbraw/zinc/09/88/60/171098860.db2.gz LUIGWQQIQZGBMO-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C(C)(C)C 53652554 171098870 /nfs/dbraw/zinc/09/88/70/171098870.db2.gz SKYROKUFHMCHIO-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+]C(C)(C)C 53652554 171098871 /nfs/dbraw/zinc/09/88/71/171098871.db2.gz SKYROKUFHMCHIO-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP [NH3+]C1CCC(n2cc[nH+]c2)CC1 55144706 171100051 /nfs/dbraw/zinc/10/00/51/171100051.db2.gz UOSGZCCDLRYXEN-UHFFFAOYSA-N 2 2 165.240 1.326 10 0 ADAELP Cc1ccccc1[C@@H]1[NH2+]CCC[C@@H]1[NH3+] 58521340 171101599 /nfs/dbraw/zinc/10/15/99/171101599.db2.gz IGVZUZWGRQYQCH-RYUDHWBXSA-N 2 2 190.290 1.747 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1CC(C)(C)[NH3+] 59569581 171101638 /nfs/dbraw/zinc/10/16/38/171101638.db2.gz GNKLIOFNPOFENA-DTORHVGOSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1CC(C)(C)[NH3+] 59569581 171101640 /nfs/dbraw/zinc/10/16/40/171101640.db2.gz GNKLIOFNPOFENA-DTORHVGOSA-N 2 2 170.300 1.597 10 0 ADAELP Cc1ccccc1[C@@H]1[NH2+]CCC[C@H]1[NH3+] 58521337 171101657 /nfs/dbraw/zinc/10/16/57/171101657.db2.gz IGVZUZWGRQYQCH-NEPJUHHUSA-N 2 2 190.290 1.747 10 0 ADAELP CC(C)c1cccc([C@@H]([NH3+])C[NH3+])c1 72200112 171109047 /nfs/dbraw/zinc/10/90/47/171109047.db2.gz MBXMONNMIJZSKH-NSHDSACASA-N 2 2 178.279 1.769 10 0 ADAELP CC(C)c1cccc([C@H]([NH3+])C[NH3+])c1 72200111 171109207 /nfs/dbraw/zinc/10/92/07/171109207.db2.gz MBXMONNMIJZSKH-LLVKDONJSA-N 2 2 178.279 1.769 10 0 ADAELP Cn1cc[nH+]c1C1CC[NH+](C)CC1 75906189 171115503 /nfs/dbraw/zinc/11/55/03/171115503.db2.gz CUMWJPGNYCDPLG-UHFFFAOYSA-N 2 2 179.267 1.229 10 0 ADAELP C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 75906188 171115907 /nfs/dbraw/zinc/11/59/07/171115907.db2.gz JJTIYVQQGRYBCG-UHFFFAOYSA-N 2 2 165.240 1.219 10 0 ADAELP CCCCc1c(C[NH3+])c[nH+]c(N)c1C 83428441 171131114 /nfs/dbraw/zinc/13/11/14/171131114.db2.gz VUHCEGGJFHRBQV-UHFFFAOYSA-N 2 2 193.294 1.774 10 0 ADAELP [NH3+]C1(c2[nH+]ccc3[nH]ccc23)CC1 89220581 171133719 /nfs/dbraw/zinc/13/37/19/171133719.db2.gz ZHECIZXXJJRMGS-UHFFFAOYSA-N 2 2 173.219 1.511 10 0 ADAELP CCC[NH2+][C@@H](C)C[N@H+](C)C1CC1 43823676 171151549 /nfs/dbraw/zinc/15/15/49/171151549.db2.gz OXQIAUDJAJIBBV-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@@H](C)C[N@@H+](C)C1CC1 43823676 171151550 /nfs/dbraw/zinc/15/15/50/171151550.db2.gz OXQIAUDJAJIBBV-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)C1CC1 43823947 171151603 /nfs/dbraw/zinc/15/16/03/171151603.db2.gz CZVCMGKTPUVKNW-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)C1CC1 43823947 171151604 /nfs/dbraw/zinc/15/16/04/171151604.db2.gz CZVCMGKTPUVKNW-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP CCC[NH2+][C@@H](C)C[N@H+](C)CC 44471857 171152124 /nfs/dbraw/zinc/15/21/24/171152124.db2.gz GWDWXMNXQIRQBI-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CCC[NH2+][C@@H](C)C[N@@H+](C)CC 44471857 171152126 /nfs/dbraw/zinc/15/21/26/171152126.db2.gz GWDWXMNXQIRQBI-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP CCC[NH2+][C@@H](C)C[N@H+](CC)C1CC1 44471869 171152278 /nfs/dbraw/zinc/15/22/78/171152278.db2.gz PMIHFSGLVXJYEE-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@@H](C)C[N@@H+](CC)C1CC1 44471869 171152280 /nfs/dbraw/zinc/15/22/80/171152280.db2.gz PMIHFSGLVXJYEE-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CC1CC1 44561270 171152722 /nfs/dbraw/zinc/15/27/22/171152722.db2.gz NHBITICPOFZXEE-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+]CC1CC1 44561270 171152723 /nfs/dbraw/zinc/15/27/23/171152723.db2.gz NHBITICPOFZXEE-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CC1 44561269 171153008 /nfs/dbraw/zinc/15/30/08/171153008.db2.gz NHBITICPOFZXEE-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CC1CC1 44561269 171153009 /nfs/dbraw/zinc/15/30/09/171153009.db2.gz NHBITICPOFZXEE-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP c1c[nH]c(C[NH2+]CCn2cc[nH+]c2)c1 48436709 171153482 /nfs/dbraw/zinc/15/34/82/171153482.db2.gz CZTCQRLEMGXWLU-UHFFFAOYSA-N 2 2 190.250 1.001 10 0 ADAELP Cc1ccccc1[C@@H](C[NH3+])[NH2+]C(C)C 50270772 171155760 /nfs/dbraw/zinc/15/57/60/171155760.db2.gz FBBQOHTZZMCFSV-GFCCVEGCSA-N 2 2 192.306 1.993 10 0 ADAELP Cc1ccccc1[C@H](C[NH3+])[NH2+]C(C)C 50270773 171156152 /nfs/dbraw/zinc/15/61/52/171156152.db2.gz FBBQOHTZZMCFSV-LBPRGKRZSA-N 2 2 192.306 1.993 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccccn1 19267634 171168228 /nfs/dbraw/zinc/16/82/28/171168228.db2.gz UPOOJLFZJXBAMB-NSHDSACASA-N 2 2 193.294 1.423 10 0 ADAELP [NH3+]CC1(c2c[nH+]c3ccccn23)CC1 82391703 171169801 /nfs/dbraw/zinc/16/98/01/171169801.db2.gz ASMGFZNMPIIJFG-UHFFFAOYSA-N 2 2 187.246 1.325 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CCC1 54240647 171172030 /nfs/dbraw/zinc/17/20/30/171172030.db2.gz YRCVVUMWKBLQRG-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CC1CCC1 54240647 171172032 /nfs/dbraw/zinc/17/20/32/171172032.db2.gz YRCVVUMWKBLQRG-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CC1CCC1 54240648 171172216 /nfs/dbraw/zinc/17/22/16/171172216.db2.gz YRCVVUMWKBLQRG-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+]CC1CCC1 54240648 171172218 /nfs/dbraw/zinc/17/22/18/171172218.db2.gz YRCVVUMWKBLQRG-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP [NH3+]CC1(c2ccc3[nH]c[nH+]c3c2)CC1 82588142 171172874 /nfs/dbraw/zinc/17/28/74/171172874.db2.gz JNRUZEVKAXZMPZ-UHFFFAOYSA-N 2 2 187.246 1.553 10 0 ADAELP Cc1ccccc1[C@H](C)[N@H+](C)CC[NH3+] 54416705 171172897 /nfs/dbraw/zinc/17/28/97/171172897.db2.gz RFKBHMFDVVFDEH-NSHDSACASA-N 2 2 192.306 1.947 10 0 ADAELP Cc1ccccc1[C@H](C)[N@@H+](C)CC[NH3+] 54416705 171172900 /nfs/dbraw/zinc/17/29/00/171172900.db2.gz RFKBHMFDVVFDEH-NSHDSACASA-N 2 2 192.306 1.947 10 0 ADAELP Cc1ccccc1[C@@H](C)[N@H+](C)CC[NH3+] 54416704 171173089 /nfs/dbraw/zinc/17/30/89/171173089.db2.gz RFKBHMFDVVFDEH-LLVKDONJSA-N 2 2 192.306 1.947 10 0 ADAELP Cc1ccccc1[C@@H](C)[N@@H+](C)CC[NH3+] 54416704 171173091 /nfs/dbraw/zinc/17/30/91/171173091.db2.gz RFKBHMFDVVFDEH-LLVKDONJSA-N 2 2 192.306 1.947 10 0 ADAELP CC(C)c1cn(C2CC[NH2+]CC2)c[nH+]1 82655748 171174625 /nfs/dbraw/zinc/17/46/25/171174625.db2.gz QXHLFRHTTAKRIN-UHFFFAOYSA-N 2 2 193.294 1.931 10 0 ADAELP [NH3+]C[C@@H]1c2ccccc2C[N@@H+]1C1CC1 82701241 171174862 /nfs/dbraw/zinc/17/48/62/171174862.db2.gz VTMOWLAARKTEND-GFCCVEGCSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C[C@@H]1c2ccccc2C[N@H+]1C1CC1 82701241 171174863 /nfs/dbraw/zinc/17/48/63/171174863.db2.gz VTMOWLAARKTEND-GFCCVEGCSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C[C@H]1c2ccccc2C[N@@H+]1C1CC1 82701242 171175203 /nfs/dbraw/zinc/17/52/03/171175203.db2.gz VTMOWLAARKTEND-LBPRGKRZSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C[C@H]1c2ccccc2C[N@H+]1C1CC1 82701242 171175206 /nfs/dbraw/zinc/17/52/06/171175206.db2.gz VTMOWLAARKTEND-LBPRGKRZSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C1(c2cccc3[nH+]ccn23)CC1 82868022 171176273 /nfs/dbraw/zinc/17/62/73/171176273.db2.gz KMVBWKLBXVDTOW-UHFFFAOYSA-N 2 2 173.219 1.282 10 0 ADAELP [NH3+]CC1(c2cccc3[nH+]ccn23)CC1 82879646 171176558 /nfs/dbraw/zinc/17/65/58/171176558.db2.gz XCRMPHTVIXCQFG-UHFFFAOYSA-N 2 2 187.246 1.325 10 0 ADAELP [NH3+]C1(c2cccc3[nH+]ccn23)CCC1 82879644 171176615 /nfs/dbraw/zinc/17/66/15/171176615.db2.gz VVEQHKITHDVXJQ-UHFFFAOYSA-N 2 2 187.246 1.672 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(C)o1 22168924 171182083 /nfs/dbraw/zinc/18/20/83/171182083.db2.gz ZJLGCXCRRSQHEZ-JTQLQIEISA-N 2 2 196.294 1.930 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1cccnc1 22163235 171182282 /nfs/dbraw/zinc/18/22/82/171182282.db2.gz JGMAHBNVIAAONL-NSHDSACASA-N 2 2 193.294 1.423 10 0 ADAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccncc1 32021099 171183716 /nfs/dbraw/zinc/18/37/16/171183716.db2.gz GJPVHEZJOBPKGW-NSHDSACASA-N 2 2 193.294 1.423 10 0 ADAELP C[NH+](C)CCOc1cc[nH+]cc1 96329036 171185531 /nfs/dbraw/zinc/18/55/31/171185531.db2.gz ZPBHIOKEHCWKFE-UHFFFAOYSA-N 2 2 166.224 1.022 10 0 ADAELP C[NH+]1CCC(c2cccc(N)[nH+]2)CC1 238293960 171186711 /nfs/dbraw/zinc/18/67/11/171186711.db2.gz NKQIZBOGYBMJDU-UHFFFAOYSA-N 2 2 191.278 1.473 10 0 ADAELP C1C[NH+]=C([C@@H]2CCC[NH2+]C2)C1 12357319 171205753 /nfs/dbraw/zinc/20/57/53/171205753.db2.gz FWSMVITUMAYJND-MRVPVSSYSA-N 2 2 152.241 1.221 10 0 ADAELP C[NH+]1CCC([NH2+]C(C)(C)CF)CC1 306643691 171214073 /nfs/dbraw/zinc/21/40/73/171214073.db2.gz XMBWDLZYVVWNPH-UHFFFAOYSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CC2CCC2)C[N@@H+]1C 156116335 344080942 /nfs/dbraw/zinc/08/09/42/344080942.db2.gz QQDGSXQRZHUITL-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CC2CCC2)C[N@H+]1C 156116335 344080943 /nfs/dbraw/zinc/08/09/43/344080943.db2.gz QQDGSXQRZHUITL-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@@H+]1C[C@H](C)[NH3+] 156547634 344091019 /nfs/dbraw/zinc/09/10/19/344091019.db2.gz OOJGZTMJGJFZOH-GUBZILKMSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H]1CC[C@H](C)[N@H+]1C[C@H](C)[NH3+] 156547634 344091020 /nfs/dbraw/zinc/09/10/20/344091020.db2.gz OOJGZTMJGJFZOH-GUBZILKMSA-N 2 2 170.300 1.597 10 0 ADAELP C1C[C@H]2C[C@@]3(CC[N@H+]2C1)[NH2+]CCS3 156981586 344098353 /nfs/dbraw/zinc/09/83/53/344098353.db2.gz SRZIFDVLNCDOFP-UWVGGRQHSA-N 2 2 198.335 1.277 10 0 ADAELP [NH3+][C@]1(C(F)F)CC[N@@H+]2CCC[C@H]2C1 157018659 344099512 /nfs/dbraw/zinc/09/95/12/344099512.db2.gz BGDPKPVCNXPGLW-IONNQARKSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@]1(C(F)F)CC[N@H+]2CCC[C@H]2C1 157018659 344099513 /nfs/dbraw/zinc/09/95/13/344099513.db2.gz BGDPKPVCNXPGLW-IONNQARKSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@]1(C(F)F)CC[N@@H+]2CCC[C@@H]2C1 157018501 344099528 /nfs/dbraw/zinc/09/95/28/344099528.db2.gz BGDPKPVCNXPGLW-VXNVDRBHSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@]1(C(F)F)CC[N@H+]2CCC[C@@H]2C1 157018501 344099529 /nfs/dbraw/zinc/09/95/29/344099529.db2.gz BGDPKPVCNXPGLW-VXNVDRBHSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@@]1(C(F)F)CC[N@@H+]2CCC[C@@H]2C1 157018241 344099562 /nfs/dbraw/zinc/09/95/62/344099562.db2.gz BGDPKPVCNXPGLW-APPZFPTMSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@@]1(C(F)F)CC[N@H+]2CCC[C@@H]2C1 157018241 344099563 /nfs/dbraw/zinc/09/95/63/344099563.db2.gz BGDPKPVCNXPGLW-APPZFPTMSA-N 2 2 190.237 1.207 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 157894737 344116025 /nfs/dbraw/zinc/11/60/25/344116025.db2.gz VHCXWCOJRASTGT-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 157873775 344116347 /nfs/dbraw/zinc/11/63/47/344116347.db2.gz IGNMSJNOFGURDZ-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+][C@H](Cn1cc[nH+]c1)C1CCCC1 157959056 344116921 /nfs/dbraw/zinc/11/69/21/344116921.db2.gz LXAKTRVLJHLXQP-SNVBAGLBSA-N 2 2 179.267 1.401 10 0 ADAELP [NH3+]C[C@@H](F)[C@@H]1[NH2+]CCc2ccccc21 158079229 344117937 /nfs/dbraw/zinc/11/79/37/344117937.db2.gz RHKBJJPNSMWOOP-GHMZBOCLSA-N 2 2 194.253 1.170 10 0 ADAELP [NH3+]C[C@H](F)[C@H]1[NH2+]Cc2ccccc21 158079953 344117954 /nfs/dbraw/zinc/11/79/54/344117954.db2.gz GBFVPZHINQYXSN-UWVGGRQHSA-N 2 2 180.226 1.128 10 0 ADAELP C[C@@](F)(C[NH3+])[C@@H]1[NH2+]Cc2ccccc21 158251621 344122250 /nfs/dbraw/zinc/12/22/50/344122250.db2.gz VTYOOMRLCJNMCH-GHMZBOCLSA-N 2 2 194.253 1.518 10 0 ADAELP Nc1cc[nH+]cc1[C@](F)(C[NH3+])C1CC1 158413126 344126432 /nfs/dbraw/zinc/12/64/32/344126432.db2.gz WHYXUOKWPACASS-JTQLQIEISA-N 2 2 195.241 1.197 10 0 ADAELP CC[C@H]1CCC[C@H]1[N@H+]1CCC[NH2+]CC1 159234184 344141174 /nfs/dbraw/zinc/14/11/74/344141174.db2.gz RMIURKHHFIOEST-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CC[C@H](C)C1 161009428 344183432 /nfs/dbraw/zinc/18/34/32/344183432.db2.gz LWFHPQVZIZXLRR-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)C 163804632 344230253 /nfs/dbraw/zinc/23/02/53/344230253.db2.gz MFCOQEJKARDMMJ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)C 163804632 344230254 /nfs/dbraw/zinc/23/02/54/344230254.db2.gz MFCOQEJKARDMMJ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 165267819 344261017 /nfs/dbraw/zinc/26/10/17/344261017.db2.gz KDIYWSLSMVFJRB-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1nc(N[C@@H](C)C[C@H](C)[NH3+])cc[nH+]1 165758940 344268805 /nfs/dbraw/zinc/26/88/05/344268805.db2.gz RIWZRWVXBMRXPA-YUMQZZPRSA-N 2 2 194.282 1.323 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)[NH3+])C1 166052125 344273798 /nfs/dbraw/zinc/27/37/98/344273798.db2.gz ZBSFOZPPLBHDNC-OUAUKWLOSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)[NH3+])C1 166052125 344273799 /nfs/dbraw/zinc/27/37/99/344273799.db2.gz ZBSFOZPPLBHDNC-OUAUKWLOSA-N 2 2 184.327 1.700 10 0 ADAELP C1=CC[N@H+](C[C@@H]2CCCC[NH2+]2)CC1 166114422 344275090 /nfs/dbraw/zinc/27/50/90/344275090.db2.gz ZZPXHNPMHKFACS-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP C1=CC[N@@H+](C[C@@H]2CCCC[NH2+]2)CC1 166114422 344275092 /nfs/dbraw/zinc/27/50/92/344275092.db2.gz ZZPXHNPMHKFACS-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP CC1=CC[N@H+](C[C@@H]2CCC[NH2+]2)CC1 166141094 344275570 /nfs/dbraw/zinc/27/55/70/344275570.db2.gz IEMWTNPUCQHIFE-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP CC1=CC[N@@H+](C[C@@H]2CCC[NH2+]2)CC1 166141094 344275571 /nfs/dbraw/zinc/27/55/71/344275571.db2.gz IEMWTNPUCQHIFE-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP CNc1[nH+]c(C)cc(C)c1C[NH2+]C 166291110 344278468 /nfs/dbraw/zinc/27/84/68/344278468.db2.gz AOBKTORVMZCJIS-UHFFFAOYSA-N 2 2 179.267 1.460 10 0 ADAELP CC(C)(C)[C@@H]1CC[N@H+](CC2([NH3+])CC2)C1 166300328 344278496 /nfs/dbraw/zinc/27/84/96/344278496.db2.gz VEKIDIUJZYUJMF-SNVBAGLBSA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)(C)[C@@H]1CC[N@@H+](CC2([NH3+])CC2)C1 166300328 344278497 /nfs/dbraw/zinc/27/84/97/344278497.db2.gz VEKIDIUJZYUJMF-SNVBAGLBSA-N 2 2 196.338 1.846 10 0 ADAELP [NH3+]C[C@H](c1ccccc1)[NH+]1CC=CC1 166663009 344286741 /nfs/dbraw/zinc/28/67/41/344286741.db2.gz RZBKPKFJEBZLEZ-GFCCVEGCSA-N 2 2 188.274 1.558 10 0 ADAELP C[C@H]([C@H]1CCC[NH2+]1)n1cc[nH+]c1 167895864 344316516 /nfs/dbraw/zinc/31/65/16/344316516.db2.gz JJIPSYQRUGRMRR-RKDXNWHRSA-N 2 2 165.240 1.196 10 0 ADAELP 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C[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 217486336 344402690 /nfs/dbraw/zinc/40/26/90/344402690.db2.gz CSQOKQGMORXZHA-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC[C@@H]1C 217704962 344405216 /nfs/dbraw/zinc/40/52/16/344405216.db2.gz HJCAWSCEXVFFAK-GUBZILKMSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCC[C@@H]1C 217704962 344405217 /nfs/dbraw/zinc/40/52/17/344405217.db2.gz HJCAWSCEXVFFAK-GUBZILKMSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C=CCCC2)C1 218792802 344416268 /nfs/dbraw/zinc/41/62/68/344416268.db2.gz ULIAXFVOIHLPAH-GHMZBOCLSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C=CCCC2)C1 218792802 344416269 /nfs/dbraw/zinc/41/62/69/344416269.db2.gz ULIAXFVOIHLPAH-GHMZBOCLSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+]C/C=C/Cl)C1 218793007 344416296 /nfs/dbraw/zinc/41/62/96/344416296.db2.gz SZTYJRKYINKMJM-BYDTYLDUSA-N 2 2 174.675 1.033 10 0 ADAELP 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CC[C@@H]1CCC[N@@H+]1C[C@@H]1[NH2+]CC[C@@H]1C 226858507 344515944 /nfs/dbraw/zinc/51/59/44/344515944.db2.gz LMLWLKIXCITDEJ-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@H+]1CCCC1(C)C 226868462 344516285 /nfs/dbraw/zinc/51/62/85/344516285.db2.gz GBHLYWQHDYUKOD-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@@H+]1CCC(C)(C)C1 226871750 344516287 /nfs/dbraw/zinc/51/62/87/344516287.db2.gz VHQLMVRUBZIYFT-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@H+]1CCC(C)(C)C1 226871750 344516288 /nfs/dbraw/zinc/51/62/88/344516288.db2.gz VHQLMVRUBZIYFT-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@@H+]1CCC(C)(C)C1 226871743 344516342 /nfs/dbraw/zinc/51/63/42/344516342.db2.gz VHQLMVRUBZIYFT-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@H+]1CCC(C)(C)C1 226871743 344516343 /nfs/dbraw/zinc/51/63/43/344516343.db2.gz VHQLMVRUBZIYFT-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@@H+]1CCC(C)(C)C1 226871738 344516414 /nfs/dbraw/zinc/51/64/14/344516414.db2.gz VHQLMVRUBZIYFT-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@H+]1CCC(C)(C)C1 226871738 344516416 /nfs/dbraw/zinc/51/64/16/344516416.db2.gz VHQLMVRUBZIYFT-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2C)C1 227084126 344521800 /nfs/dbraw/zinc/52/18/00/344521800.db2.gz RYZDWVZHLXPXTO-IVZWLZJFSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+]1CCCCC[C@@H]1C 226744637 344511810 /nfs/dbraw/zinc/51/18/10/344511810.db2.gz AJRTUBMZJFXROQ-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H](c1ccoc1)[N@H+]1CC[C@@H]([NH3+])C1 227304614 344528392 /nfs/dbraw/zinc/52/83/92/344528392.db2.gz DGXGJYWIGYWXTP-WCBMZHEXSA-N 2 2 180.251 1.374 10 0 ADAELP Cc1[nH+]cn(-c2cc[nH+]c(N)c2)c1C 227667807 344543085 /nfs/dbraw/zinc/54/30/85/344543085.db2.gz LHABAFNSCQXVSB-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]([NH+]2CCCCCC2)C1 227936622 344551014 /nfs/dbraw/zinc/55/10/14/344551014.db2.gz OMEDYLMTEISSPI-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1c[nH+]cc(N2CC[NH2+][C@H](C)C2)c1 227935853 344551074 /nfs/dbraw/zinc/55/10/74/344551074.db2.gz YGFIRSVRIVIZGC-SNVBAGLBSA-N 2 2 191.278 1.188 10 0 ADAELP Cc1c[nH+]cc(N2CC[NH2+][C@@H](C)C2)c1 227935841 344551082 /nfs/dbraw/zinc/55/10/82/344551082.db2.gz YGFIRSVRIVIZGC-JTQLQIEISA-N 2 2 191.278 1.188 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2CCCC[C@@H]2C)C1 227936483 344551099 /nfs/dbraw/zinc/55/10/99/344551099.db2.gz MDTALNQUMVRHAL-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]([N@H+]2CCCC[C@@H]2C)C1 227936483 344551101 /nfs/dbraw/zinc/55/11/01/344551101.db2.gz MDTALNQUMVRHAL-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]([NH+]2CCCCCC2)C1 227936612 344551107 /nfs/dbraw/zinc/55/11/07/344551107.db2.gz OMEDYLMTEISSPI-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1c[nH+]cc(NCCC[NH3+])c1 227935816 344551127 /nfs/dbraw/zinc/55/11/27/344551127.db2.gz CYRFUFVQOAUESY-UHFFFAOYSA-N 2 2 165.240 1.151 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]([N@H+](C)C2CCCC2)C1 227936951 344551160 /nfs/dbraw/zinc/55/11/60/344551160.db2.gz JWYFSROBHKFMED-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]([N@@H+](C)C2CCCC2)C1 227936951 344551161 /nfs/dbraw/zinc/55/11/61/344551161.db2.gz JWYFSROBHKFMED-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1c[nH+]cc(C[C@@H]2CC[NH2+]C2)c1 228669460 344565959 /nfs/dbraw/zinc/56/59/59/344565959.db2.gz ZZTWLXXGNRBJFY-JTQLQIEISA-N 2 2 176.263 1.542 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C[C@H]2C[C@H]2C)C1 228749532 344567143 /nfs/dbraw/zinc/56/71/43/344567143.db2.gz FIMBISKPRFHQLD-GMTAPVOTSA-N 2 2 182.311 1.184 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C[C@H]2C[C@H]2C)C1 228749532 344567144 /nfs/dbraw/zinc/56/71/44/344567144.db2.gz FIMBISKPRFHQLD-GMTAPVOTSA-N 2 2 182.311 1.184 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C[C@@H]2C[C@H]2C)C1 228749548 344567159 /nfs/dbraw/zinc/56/71/59/344567159.db2.gz FIMBISKPRFHQLD-MXWKQRLJSA-N 2 2 182.311 1.184 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C[C@@H]2C[C@H]2C)C1 228749548 344567160 /nfs/dbraw/zinc/56/71/60/344567160.db2.gz FIMBISKPRFHQLD-MXWKQRLJSA-N 2 2 182.311 1.184 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 228749539 344567165 /nfs/dbraw/zinc/56/71/65/344567165.db2.gz FIMBISKPRFHQLD-OUAUKWLOSA-N 2 2 182.311 1.184 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+]1CC[NH2+]C[C@@H](C)C1 228749539 344567166 /nfs/dbraw/zinc/56/71/66/344567166.db2.gz FIMBISKPRFHQLD-OUAUKWLOSA-N 2 2 182.311 1.184 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C2(C)CCC2)C1 228916836 344574934 /nfs/dbraw/zinc/57/49/34/344574934.db2.gz VPNPSFATKALLDM-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1ccoc1C[N@@H+]1CCC[C@H]1C[NH3+] 229532074 344600530 /nfs/dbraw/zinc/60/05/30/344600530.db2.gz ZPYJOGFAQMKMSW-JTQLQIEISA-N 2 2 194.278 1.511 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1occc1C 229547553 344602068 /nfs/dbraw/zinc/60/20/68/344602068.db2.gz BZEMAGPJWXDBPV-VHSXEESVSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1occc1C 229547553 344602069 /nfs/dbraw/zinc/60/20/69/344602069.db2.gz BZEMAGPJWXDBPV-VHSXEESVSA-N 2 2 194.278 1.682 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@@]12[NH2+]CCCS2 229565538 344605203 /nfs/dbraw/zinc/60/52/03/344605203.db2.gz MNFVITLEKWZVRR-BDAKNGLRSA-N 2 2 186.324 1.039 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[NH2+]C[C@@H]1C 229566709 344605234 /nfs/dbraw/zinc/60/52/34/344605234.db2.gz QLIVFWXYNMZILD-UWVGGRQHSA-N 2 2 193.294 1.616 10 0 ADAELP Cc1cc(NCc2c[nH]c[nH+]2)cc[nH+]1 229569307 344605427 /nfs/dbraw/zinc/60/54/27/344605427.db2.gz SALQYSCMWZOQGZ-UHFFFAOYSA-N 2 2 188.234 1.725 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)CC2CC2)C[C@@H]1[NH3+] 229730136 344613349 /nfs/dbraw/zinc/61/33/49/344613349.db2.gz ZCICYLDDFRHYIN-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)CC2CC2)C[C@@H]1[NH3+] 229730136 344613351 /nfs/dbraw/zinc/61/33/51/344613351.db2.gz ZCICYLDDFRHYIN-FOGDFJRCSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@]1([NH2+]Cc2cccs2)CC[NH2+]C1 230739304 344641607 /nfs/dbraw/zinc/64/16/07/344641607.db2.gz RWADBEMHEOQUSL-SNVBAGLBSA-N 2 2 196.319 1.590 10 0 ADAELP CC(C)(C)C1C[NH+]([C@@]2(C)CC[NH2+]C2)C1 230752992 344642537 /nfs/dbraw/zinc/64/25/37/344642537.db2.gz KVGSSLIJPYWFIP-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C1C[NH+]([C@@]2(C)CC[NH2+]C2)C1 230753450 344642543 /nfs/dbraw/zinc/64/25/43/344642543.db2.gz OWJMGOYKUGLVTN-NSHDSACASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@@]1(C)CC[NH2+]C1 230753305 344642553 /nfs/dbraw/zinc/64/25/53/344642553.db2.gz JXIFKVCCKSQLIK-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@@]1(C)CC[NH2+]C1 230753305 344642554 /nfs/dbraw/zinc/64/25/54/344642554.db2.gz JXIFKVCCKSQLIK-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP CCC1C[NH+]([C@]2(C)CC[NH2+]C2)C1 230753579 344642560 /nfs/dbraw/zinc/64/25/60/344642560.db2.gz NZKKUDKFFFDQMN-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@]1(C)CC[NH2+]C1 230753302 344642596 /nfs/dbraw/zinc/64/25/96/344642596.db2.gz JXIFKVCCKSQLIK-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@]1(C)CC[NH2+]C1 230753302 344642597 /nfs/dbraw/zinc/64/25/97/344642597.db2.gz JXIFKVCCKSQLIK-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@]1([NH+]2CC3(CCC3)C2)CC[NH2+]C1 230753810 344642646 /nfs/dbraw/zinc/64/26/46/344642646.db2.gz WLDJVUGSTXMCKY-SNVBAGLBSA-N 2 2 180.295 1.224 10 0 ADAELP CCC(C)(CC)[N@@H+]1CCC[NH2+]CC1 230964383 344646672 /nfs/dbraw/zinc/64/66/72/344646672.db2.gz OJZFBUOKDYPMCH-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CCC(C)(CC)[N@H+]1CCC[NH2+]CC1 230964383 344646673 /nfs/dbraw/zinc/64/66/73/344646673.db2.gz OJZFBUOKDYPMCH-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP CC(C)C1CC[NH+]([C@H](C)C(N)=[NH2+])CC1 232609958 344685607 /nfs/dbraw/zinc/68/56/07/344685607.db2.gz SFCLFDCZBGTXGP-SECBINFHSA-N 2 2 197.326 1.679 10 0 ADAELP CC[NH2+][C@@H](C)[C@H]1CSCC[N@H+]1C 233546585 344703149 /nfs/dbraw/zinc/70/31/49/344703149.db2.gz CXEAKLVRKLOPMM-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC2(C)C)C1 234315964 344717517 /nfs/dbraw/zinc/71/75/17/344717517.db2.gz JOTROUQMADZXGC-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CC2(C)C)C1 234315964 344717519 /nfs/dbraw/zinc/71/75/19/344717519.db2.gz JOTROUQMADZXGC-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(C)ccc1F 234425059 344720172 /nfs/dbraw/zinc/72/01/72/344720172.db2.gz BXBVFXAASYEROK-JTQLQIEISA-N 2 2 182.242 1.353 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@@H+]1C/C=C/Cl 235297332 344741754 /nfs/dbraw/zinc/74/17/54/344741754.db2.gz IFGZOUFDOGPOQD-HDMKULJXSA-N 2 2 188.702 1.423 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@H+]1C/C=C/Cl 235297332 344741755 /nfs/dbraw/zinc/74/17/55/344741755.db2.gz IFGZOUFDOGPOQD-HDMKULJXSA-N 2 2 188.702 1.423 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1Cc1[nH+]ccn1C 235318473 344742639 /nfs/dbraw/zinc/74/26/39/344742639.db2.gz JHXYTTAQWXEVOL-ZJUUUORDSA-N 2 2 193.294 1.351 10 0 ADAELP C[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]2)C1 235332252 344743859 /nfs/dbraw/zinc/74/38/59/344743859.db2.gz VSPOKNIGGQKBFI-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H](c2[nH+]ccn2C)C1 235345163 344744985 /nfs/dbraw/zinc/74/49/85/344744985.db2.gz CNBGJIFNFOFAOP-DTWKUNHWSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1C[N@@H+](CC2(C)CC2)CCC[NH2+]1 235352101 344745116 /nfs/dbraw/zinc/74/51/16/344745116.db2.gz DJKYMOYEUPFQPR-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1[nH+]cccc1N[C@H](C)C[NH3+] 235470053 344750967 /nfs/dbraw/zinc/75/09/67/344750967.db2.gz ISSNMPDVQGQWBG-SSDOTTSWSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1cc[nH+]cc1N[C@H](C)C[NH3+] 235470379 344750979 /nfs/dbraw/zinc/75/09/79/344750979.db2.gz IYPKIYTZMVNZQN-MRVPVSSYSA-N 2 2 165.240 1.149 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1c1[nH+]ccn1C 235587064 344757680 /nfs/dbraw/zinc/75/76/80/344757680.db2.gz HSPBNKPFZNTEKS-DTWKUNHWSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@H]1CC[C@H](c2[nH+]ccn2C)C[NH2+]1 235647178 344761622 /nfs/dbraw/zinc/76/16/22/344761622.db2.gz GXWBTPIIGDRNRN-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP Cc1cccc(NCC2([NH3+])CCC2)[nH+]1 235932437 344770073 /nfs/dbraw/zinc/77/00/73/344770073.db2.gz SCKLUGZLERRSRJ-UHFFFAOYSA-N 2 2 191.278 1.683 10 0 ADAELP CCc1[nH+]ccn1-c1c[nH+]ccc1N 238287151 344799105 /nfs/dbraw/zinc/79/91/05/344799105.db2.gz PXGHVNWLHZKQSW-UHFFFAOYSA-N 2 2 188.234 1.412 10 0 ADAELP Cc1ccc(C[C@@H]2CCC[NH2+]C2)c[nH+]1 238491419 344809421 /nfs/dbraw/zinc/80/94/21/344809421.db2.gz GSFMVKUCKVVQJF-NSHDSACASA-N 2 2 190.290 1.932 10 0 ADAELP Cc1csc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 238499096 344809826 /nfs/dbraw/zinc/80/98/26/344809826.db2.gz VDGYMKRXXIALMX-SECBINFHSA-N 2 2 196.319 1.590 10 0 ADAELP Cc1csc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 238499096 344809827 /nfs/dbraw/zinc/80/98/27/344809827.db2.gz VDGYMKRXXIALMX-SECBINFHSA-N 2 2 196.319 1.590 10 0 ADAELP C[C@H](c1ccco1)[N@@H+]1CCC[C@H]1C[NH3+] 248088376 344827380 /nfs/dbraw/zinc/82/73/80/344827380.db2.gz ULBXFDWVQCMLHL-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccco1)[N@H+]1CCC[C@H]1C[NH3+] 248088376 344827382 /nfs/dbraw/zinc/82/73/82/344827382.db2.gz ULBXFDWVQCMLHL-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@H]1C[NH3+] 248083428 344827557 /nfs/dbraw/zinc/82/75/57/344827557.db2.gz QWXRUWKDJAGSJE-UWVGGRQHSA-N 2 2 193.294 1.499 10 0 ADAELP CC[N@H+](C)[C@H]1[C@@H]([NH3+])C[C@H](C)C[C@H]1C 249915769 344828372 /nfs/dbraw/zinc/82/83/72/344828372.db2.gz JZSMPFMKVYQYFF-CHWFTXMASA-N 2 2 184.327 1.700 10 0 ADAELP CC[N@@H+](C)[C@H]1[C@@H]([NH3+])C[C@H](C)C[C@H]1C 249915769 344828373 /nfs/dbraw/zinc/82/83/73/344828373.db2.gz JZSMPFMKVYQYFF-CHWFTXMASA-N 2 2 184.327 1.700 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1CCCC[C@H]1[NH3+] 249914266 344828753 /nfs/dbraw/zinc/82/87/53/344828753.db2.gz JKYRLRJKMJMDAA-GHMZBOCLSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1CCCC[C@H]1[NH3+] 249914266 344828754 /nfs/dbraw/zinc/82/87/54/344828754.db2.gz JKYRLRJKMJMDAA-GHMZBOCLSA-N 2 2 184.327 1.987 10 0 ADAELP CCCC[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 249907192 344828785 /nfs/dbraw/zinc/82/87/85/344828785.db2.gz YVXUXOCVISJLGB-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 249976466 344828819 /nfs/dbraw/zinc/82/88/19/344828819.db2.gz LMPCKCYSLZMYBA-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 250053436 344829201 /nfs/dbraw/zinc/82/92/01/344829201.db2.gz WNFAGBKHNATBQP-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@H+]1CCC[NH+]2CCCC[C@H]2C1 250042385 344829228 /nfs/dbraw/zinc/82/92/28/344829228.db2.gz UTGUQCZEFBEUDG-LBPRGKRZSA-N 2 2 196.338 1.957 10 0 ADAELP CC[N@@H+]([C@H]1CCC[C@H]1C)[C@@H]1CC[NH2+]C1 250097797 344829974 /nfs/dbraw/zinc/82/99/74/344829974.db2.gz YGHGYYRWJPCZIR-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]([C@H]1CCC[C@H]1C)[C@@H]1CC[NH2+]C1 250097797 344829975 /nfs/dbraw/zinc/82/99/75/344829975.db2.gz YGHGYYRWJPCZIR-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CCC[NH+]2CCCC[C@H]2C1 250210174 344830523 /nfs/dbraw/zinc/83/05/23/344830523.db2.gz CLEHODCQROOSND-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP CC[N@H+]1CCC[NH+]2CCCC[C@H]2C1 250210174 344830524 /nfs/dbraw/zinc/83/05/24/344830524.db2.gz CLEHODCQROOSND-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP CC[NH+]1CCC[N@@H+]2CCCC[C@H]2C1 250210174 344830525 /nfs/dbraw/zinc/83/05/25/344830525.db2.gz CLEHODCQROOSND-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP CC[NH+]1CCC[N@H+]2CCCC[C@H]2C1 250210174 344830526 /nfs/dbraw/zinc/83/05/26/344830526.db2.gz CLEHODCQROOSND-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP C[N@H+](Cc1ccco1)[C@@H]1CCC[C@H]1[NH3+] 250151580 344830539 /nfs/dbraw/zinc/83/05/39/344830539.db2.gz CDSNEUXOGKJYNJ-GHMZBOCLSA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]1[NH3+] 250151580 344830540 /nfs/dbraw/zinc/83/05/40/344830540.db2.gz CDSNEUXOGKJYNJ-GHMZBOCLSA-N 2 2 194.278 1.591 10 0 ADAELP COC[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]C1 250158679 344830764 /nfs/dbraw/zinc/83/07/64/344830764.db2.gz AKLGQOYVHHUZBQ-WDEREUQCSA-N 2 2 198.310 1.054 10 0 ADAELP COC[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]C1 250158679 344830765 /nfs/dbraw/zinc/83/07/65/344830765.db2.gz AKLGQOYVHHUZBQ-WDEREUQCSA-N 2 2 198.310 1.054 10 0 ADAELP C[N@H+](Cc1ccoc1)[C@@H]1CCC[C@H]1[NH3+] 250243456 344831065 /nfs/dbraw/zinc/83/10/65/344831065.db2.gz RVSICRYHUBRLEL-GHMZBOCLSA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccoc1)[C@@H]1CCC[C@H]1[NH3+] 250243456 344831066 /nfs/dbraw/zinc/83/10/66/344831066.db2.gz RVSICRYHUBRLEL-GHMZBOCLSA-N 2 2 194.278 1.591 10 0 ADAELP C[N@H+](Cc1ccoc1)[C@H]1CCC[C@H]1[NH3+] 250243460 344831076 /nfs/dbraw/zinc/83/10/76/344831076.db2.gz RVSICRYHUBRLEL-MNOVXSKESA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccoc1)[C@H]1CCC[C@H]1[NH3+] 250243460 344831077 /nfs/dbraw/zinc/83/10/77/344831077.db2.gz RVSICRYHUBRLEL-MNOVXSKESA-N 2 2 194.278 1.591 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C1 250492898 344834563 /nfs/dbraw/zinc/83/45/63/344834563.db2.gz HTHPJVHRYCODMV-QWRGUYRKSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC2(C)C)C1 250492898 344834564 /nfs/dbraw/zinc/83/45/64/344834564.db2.gz HTHPJVHRYCODMV-QWRGUYRKSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccco1 250492164 344834650 /nfs/dbraw/zinc/83/46/50/344834650.db2.gz HMBVOXRMCRTELK-KOLCDFICSA-N 2 2 194.278 1.762 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccco1 250492164 344834651 /nfs/dbraw/zinc/83/46/51/344834651.db2.gz HMBVOXRMCRTELK-KOLCDFICSA-N 2 2 194.278 1.762 10 0 ADAELP C[N@H+](C1CCCC1)[C@H]1CCC[C@H]1[NH3+] 250350784 344832325 /nfs/dbraw/zinc/83/23/25/344832325.db2.gz AJPNESHXQFZGFB-MNOVXSKESA-N 2 2 182.311 1.741 10 0 ADAELP C[N@@H+](C1CCCC1)[C@H]1CCC[C@H]1[NH3+] 250350784 344832326 /nfs/dbraw/zinc/83/23/26/344832326.db2.gz AJPNESHXQFZGFB-MNOVXSKESA-N 2 2 182.311 1.741 10 0 ADAELP C[NH+](C)C[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 250356048 344832372 /nfs/dbraw/zinc/83/23/72/344832372.db2.gz NYGBTWCMEUPXSN-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC[C@H]1C 250362308 344832821 /nfs/dbraw/zinc/83/28/21/344832821.db2.gz UFRUDSKBKSCUJH-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccc(C)o1 250365219 344832889 /nfs/dbraw/zinc/83/28/89/344832889.db2.gz URSZKQVTLVPXBE-KOLCDFICSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccc(C)o1 250365219 344832890 /nfs/dbraw/zinc/83/28/90/344832890.db2.gz URSZKQVTLVPXBE-KOLCDFICSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccccc1 250394176 344833416 /nfs/dbraw/zinc/83/34/16/344833416.db2.gz YJRQUAURNNVCEM-VXGBXAGGSA-N 2 2 190.290 1.781 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccncc1 250386502 344833449 /nfs/dbraw/zinc/83/34/49/344833449.db2.gz XQOOXBCBDUOECC-WDEREUQCSA-N 2 2 191.278 1.176 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccncc1 250386502 344833450 /nfs/dbraw/zinc/83/34/50/344833450.db2.gz XQOOXBCBDUOECC-WDEREUQCSA-N 2 2 191.278 1.176 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccccc1 250394173 344833457 /nfs/dbraw/zinc/83/34/57/344833457.db2.gz YJRQUAURNNVCEM-NWDGAFQWSA-N 2 2 190.290 1.781 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccccc1 250394173 344833458 /nfs/dbraw/zinc/83/34/58/344833458.db2.gz YJRQUAURNNVCEM-NWDGAFQWSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+](CC1CCC1)[C@@H]1CCCC[C@H]1[NH3+] 250376827 344833465 /nfs/dbraw/zinc/83/34/65/344833465.db2.gz IMDXEKJUSWULOF-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CCC1)[C@@H]1CCCC[C@H]1[NH3+] 250376827 344833466 /nfs/dbraw/zinc/83/34/66/344833466.db2.gz IMDXEKJUSWULOF-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccncc1 250386499 344833468 /nfs/dbraw/zinc/83/34/68/344833468.db2.gz XQOOXBCBDUOECC-GHMZBOCLSA-N 2 2 191.278 1.176 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccncc1 250386499 344833469 /nfs/dbraw/zinc/83/34/69/344833469.db2.gz XQOOXBCBDUOECC-GHMZBOCLSA-N 2 2 191.278 1.176 10 0 ADAELP C[N@H+](CC1CC1)[C@@H]1CCCC[C@H]1[NH3+] 250423729 344833948 /nfs/dbraw/zinc/83/39/48/344833948.db2.gz PTKVJERZEHABLS-GHMZBOCLSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@@H+](CC1CC1)[C@@H]1CCCC[C@H]1[NH3+] 250423729 344833949 /nfs/dbraw/zinc/83/39/49/344833949.db2.gz PTKVJERZEHABLS-GHMZBOCLSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+](CC1CCCC1)[C@@H]1CCC[C@H]1[NH3+] 250416296 344834017 /nfs/dbraw/zinc/83/40/17/344834017.db2.gz ONCADEZUKRAETO-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CCCC1)[C@@H]1CCC[C@H]1[NH3+] 250416296 344834018 /nfs/dbraw/zinc/83/40/18/344834018.db2.gz ONCADEZUKRAETO-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1c1ccsc1 250550388 344836595 /nfs/dbraw/zinc/83/65/95/344836595.db2.gz ACHKOMCGAAGIOG-NXEZZACHSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH3+])[C@H]1c1ccsc1 250550388 344836596 /nfs/dbraw/zinc/83/65/96/344836596.db2.gz ACHKOMCGAAGIOG-NXEZZACHSA-N 2 2 196.319 1.842 10 0 ADAELP CC[NH2+][C@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 250577595 344836598 /nfs/dbraw/zinc/83/65/98/344836598.db2.gz AEMWNPRGWUXBKV-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CC[NH2+][C@H]1CC[N@H+]([C@H]2CC2(C)C)C1 250577595 344836599 /nfs/dbraw/zinc/83/65/99/344836599.db2.gz AEMWNPRGWUXBKV-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+]1CCCC[C@H]([NH3+])[C@H]1c1ccco1 250649297 344838364 /nfs/dbraw/zinc/83/83/64/344838364.db2.gz WFQFVRPZYUIDQB-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP C[N@H+]1CCCC[C@H]([NH3+])[C@H]1c1ccco1 250649297 344838365 /nfs/dbraw/zinc/83/83/65/344838365.db2.gz WFQFVRPZYUIDQB-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP C[N@@H+]1CCCC[C@@H]([NH3+])[C@H]1c1ccco1 250649295 344838404 /nfs/dbraw/zinc/83/84/04/344838404.db2.gz WFQFVRPZYUIDQB-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP C[N@H+]1CCCC[C@@H]([NH3+])[C@H]1c1ccco1 250649295 344838405 /nfs/dbraw/zinc/83/84/05/344838405.db2.gz WFQFVRPZYUIDQB-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP CC(C)(C)[N@H+]1CCC[NH+]2CCC[C@H]2C1 250690575 344839707 /nfs/dbraw/zinc/83/97/07/344839707.db2.gz JDMOEZZPQITONG-NSHDSACASA-N 2 2 196.338 1.955 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1C[C@@H]1[C@H](C)[NH3+] 250873419 344842979 /nfs/dbraw/zinc/84/29/79/344842979.db2.gz MSOSRCGPTWZIAA-IVZWLZJFSA-N 2 2 176.263 1.841 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C)[C@H]1C 251043753 344845244 /nfs/dbraw/zinc/84/52/44/344845244.db2.gz DFBMHIIQBIKOFB-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](C)[C@H]1C 251043753 344845245 /nfs/dbraw/zinc/84/52/45/344845245.db2.gz DFBMHIIQBIKOFB-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)[C@H]1C 251043748 344845283 /nfs/dbraw/zinc/84/52/83/344845283.db2.gz DFBMHIIQBIKOFB-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCC[C@H](C)[C@H]1C 251043748 344845284 /nfs/dbraw/zinc/84/52/84/344845284.db2.gz DFBMHIIQBIKOFB-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC1(C)CC[N@@H+]([C@H]2CCC[C@H]2[NH3+])C1 250820865 344841899 /nfs/dbraw/zinc/84/18/99/344841899.db2.gz ZSBZWJYJCZZDPK-ZJUUUORDSA-N 2 2 182.311 1.598 10 0 ADAELP CC1(C)CC[N@H+]([C@H]2CCC[C@H]2[NH3+])C1 250820865 344841900 /nfs/dbraw/zinc/84/19/00/344841900.db2.gz ZSBZWJYJCZZDPK-ZJUUUORDSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@H]2CCC[C@H]21 251114268 344847665 /nfs/dbraw/zinc/84/76/65/344847665.db2.gz PRKZCKZHESOPQP-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCC[C@H]2CCC[C@H]21 251114268 344847667 /nfs/dbraw/zinc/84/76/67/344847667.db2.gz PRKZCKZHESOPQP-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 251194388 344848857 /nfs/dbraw/zinc/84/88/57/344848857.db2.gz AYSIIXLCIIYDRG-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC[C@H]1C 251212074 344849685 /nfs/dbraw/zinc/84/96/85/344849685.db2.gz DPGKJBHUFNPJFG-VWYCJHECSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCCC[C@H]1C 251212074 344849686 /nfs/dbraw/zinc/84/96/86/344849686.db2.gz DPGKJBHUFNPJFG-VWYCJHECSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)[C@H](C)[NH3+] 251434307 344853942 /nfs/dbraw/zinc/85/39/42/344853942.db2.gz SYMOSWKCNJRCJE-DCAQKATOSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+]1CCSC[C@H]1C 251065179 344845835 /nfs/dbraw/zinc/84/58/35/344845835.db2.gz IPWWIUPHHDSVKE-RKDXNWHRSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H](C[NH3+])[N@H+]1CCSC[C@H]1C 251065179 344845837 /nfs/dbraw/zinc/84/58/37/344845837.db2.gz IPWWIUPHHDSVKE-RKDXNWHRSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@H]1C[NH2+]C[C@H]1C 251574794 344858756 /nfs/dbraw/zinc/85/87/56/344858756.db2.gz BUSMUHMSHRZKPK-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1CC[N@@H+](C2CCCCC2)C[C@H]1[NH3+] 251607990 344860486 /nfs/dbraw/zinc/86/04/86/344860486.db2.gz GRQRNRVVGBIMJR-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@H+](C2CCCCC2)C[C@H]1[NH3+] 251607990 344860487 /nfs/dbraw/zinc/86/04/87/344860487.db2.gz GRQRNRVVGBIMJR-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@H]1CCCC[NH2+]1 251746711 344870563 /nfs/dbraw/zinc/87/05/63/344870563.db2.gz RYOZMCCIFSTWIV-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@H]1CCCC[NH2+]1 251746711 344870564 /nfs/dbraw/zinc/87/05/64/344870564.db2.gz RYOZMCCIFSTWIV-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@]1(C)C[N@@H+]([C@H]2C[C@H]2C)CCC[NH2+]1 251774840 344872677 /nfs/dbraw/zinc/87/26/77/344872677.db2.gz WHZHXTLCTCALMO-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CCC[N@@H+]([C@H]2CCC[NH2+]C2)C1 251831125 344875643 /nfs/dbraw/zinc/87/56/43/344875643.db2.gz PYWXWABJBFBAEX-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 251843653 344876531 /nfs/dbraw/zinc/87/65/31/344876531.db2.gz LWASIZRNPALBFS-RYUDHWBXSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH+]2CCC[C@H]2C1 251843653 344876532 /nfs/dbraw/zinc/87/65/32/344876532.db2.gz LWASIZRNPALBFS-RYUDHWBXSA-N 2 2 196.338 1.955 10 0 ADAELP C[C@H]1C[N@@H+]([C@H]2CC2(C)C)CCC[NH2+]1 251885340 344878861 /nfs/dbraw/zinc/87/88/61/344878861.db2.gz VDFIXELLMQUZBN-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1C[NH2+]C[C@H]1C 251937692 344881226 /nfs/dbraw/zinc/88/12/26/344881226.db2.gz ZWYQFPBBCIYKMR-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 251940325 344881428 /nfs/dbraw/zinc/88/14/28/344881428.db2.gz VZKDGCPPTUIKGX-RCWTZXSCSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 251940325 344881430 /nfs/dbraw/zinc/88/14/30/344881430.db2.gz VZKDGCPPTUIKGX-RCWTZXSCSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@H](C)C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 252018517 344883581 /nfs/dbraw/zinc/88/35/81/344883581.db2.gz WZHYQBBXKPUNKE-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] 252087992 344883956 /nfs/dbraw/zinc/88/39/56/344883956.db2.gz DCWRTTFRMPBTAS-VWYCJHECSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@@H]1[NH3+] 252087992 344883957 /nfs/dbraw/zinc/88/39/57/344883957.db2.gz DCWRTTFRMPBTAS-VWYCJHECSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@H]1[NH3+] 252087991 344883993 /nfs/dbraw/zinc/88/39/93/344883993.db2.gz DCWRTTFRMPBTAS-MXWKQRLJSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCCC[N@H+]1[C@H]1CCC[C@H]1[NH3+] 252087991 344883994 /nfs/dbraw/zinc/88/39/94/344883994.db2.gz DCWRTTFRMPBTAS-MXWKQRLJSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCC[C@H]1C 252108149 344885232 /nfs/dbraw/zinc/88/52/32/344885232.db2.gz HJCAWSCEXVFFAK-KXUCPTDWSA-N 2 2 170.300 1.597 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1C 252140590 344887862 /nfs/dbraw/zinc/88/78/62/344887862.db2.gz MFJFDBSYTJHYAV-AXFHLTTASA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)C1 252147922 344888581 /nfs/dbraw/zinc/88/85/81/344888581.db2.gz OEMHCVBRFLSRJX-OUAUKWLOSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)C1 252147922 344888582 /nfs/dbraw/zinc/88/85/82/344888582.db2.gz OEMHCVBRFLSRJX-OUAUKWLOSA-N 2 2 182.311 1.467 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@H]2C[C@@H]2C)C1 252175726 344889361 /nfs/dbraw/zinc/88/93/61/344889361.db2.gz RYZDWVZHLXPXTO-AEJSXWLSSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] 252174048 344889446 /nfs/dbraw/zinc/88/94/46/344889446.db2.gz OPAZRKVSYZFIRL-UTLUCORTSA-N 2 2 168.284 1.351 10 0 ADAELP C[C@@H]1CCCCC[N@@H+]1[C@H]1CC[NH2+]C1 252184615 344890775 /nfs/dbraw/zinc/89/07/75/344890775.db2.gz QPGOLUDIDQKBCP-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CCCCC[N@H+]1[C@H]1CC[NH2+]C1 252184615 344890777 /nfs/dbraw/zinc/89/07/77/344890777.db2.gz QPGOLUDIDQKBCP-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CCCC[N@H+]1[C@H](C)C(N)=[NH2+] 252216854 344893254 /nfs/dbraw/zinc/89/32/54/344893254.db2.gz XXRBDYAAWLMAAC-HTQZYQBOSA-N 2 2 169.272 1.185 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1[C@H](C)C(N)=[NH2+] 252216854 344893255 /nfs/dbraw/zinc/89/32/55/344893255.db2.gz XXRBDYAAWLMAAC-HTQZYQBOSA-N 2 2 169.272 1.185 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 252373684 344894507 /nfs/dbraw/zinc/89/45/07/344894507.db2.gz UQBQGSWIRRTCSB-ZJUUUORDSA-N 2 2 195.310 1.434 10 0 ADAELP NC(=[NH2+])C[N@H+]1CC[C@H]2CCCC[C@H]2C1 252373684 344894509 /nfs/dbraw/zinc/89/45/09/344894509.db2.gz UQBQGSWIRRTCSB-ZJUUUORDSA-N 2 2 195.310 1.434 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252407485 344894867 /nfs/dbraw/zinc/89/48/67/344894867.db2.gz HLCXPIJWMJJPLJ-DCAQKATOSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@@H]([N@H+]2CCC[C@H]2C)C1 252419062 344895116 /nfs/dbraw/zinc/89/51/16/344895116.db2.gz XXNDLHCXDHKSKF-WYUUTHIRSA-N 2 2 196.338 1.987 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 251928151 344880617 /nfs/dbraw/zinc/88/06/17/344880617.db2.gz QXCWRYOLFNORBS-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1C[NH2+]CC[C@@H]1C 251928151 344880618 /nfs/dbraw/zinc/88/06/18/344880618.db2.gz QXCWRYOLFNORBS-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1nccs1 252469152 344898479 /nfs/dbraw/zinc/89/84/79/344898479.db2.gz PUTBDKUPVPOLRE-SFYZADRCSA-N 2 2 197.307 1.095 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[NH2+]CC[C@H]1C 252476251 344899406 /nfs/dbraw/zinc/89/94/06/344899406.db2.gz OIQOMMDJXBURGW-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[NH2+]CC[C@H]1C 252476251 344899407 /nfs/dbraw/zinc/89/94/07/344899407.db2.gz OIQOMMDJXBURGW-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 252435343 344896008 /nfs/dbraw/zinc/89/60/08/344896008.db2.gz JJCBTDFMURFCKN-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CCC[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 252435343 344896009 /nfs/dbraw/zinc/89/60/09/344896009.db2.gz JJCBTDFMURFCKN-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252436719 344896257 /nfs/dbraw/zinc/89/62/57/344896257.db2.gz QWSSMXUJRCUHEG-IVZWLZJFSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 252436717 344896766 /nfs/dbraw/zinc/89/67/66/344896766.db2.gz QWSSMXUJRCUHEG-AEJSXWLSSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 252436717 344896767 /nfs/dbraw/zinc/89/67/67/344896767.db2.gz QWSSMXUJRCUHEG-AEJSXWLSSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H](c1ccoc1)[N@H+]1CCC[C@H]1C[NH3+] 252687820 344908370 /nfs/dbraw/zinc/90/83/70/344908370.db2.gz MKLQGPSLQUDDID-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccoc1)[N@@H+]1CCC[C@H]1C[NH3+] 252687819 344908305 /nfs/dbraw/zinc/90/83/05/344908305.db2.gz MKLQGPSLQUDDID-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP 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C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC=CC1 307410350 346026152 /nfs/dbraw/zinc/02/61/52/346026152.db2.gz GKWNTUYQSNYGDR-ONGXEEELSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC=CC1 307410348 346026272 /nfs/dbraw/zinc/02/62/72/346026272.db2.gz GKWNTUYQSNYGDR-MWLCHTKSSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC=CC1 307410348 346026274 /nfs/dbraw/zinc/02/62/74/346026274.db2.gz GKWNTUYQSNYGDR-MWLCHTKSSA-N 2 2 180.295 1.245 10 0 ADAELP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC(F)(F)C2)C1 307417655 346030646 /nfs/dbraw/zinc/03/06/46/346030646.db2.gz WQPYUSDNVZSDLE-HTQZYQBOSA-N 2 2 190.237 1.207 10 0 ADAELP Cc1sccc1[C@H]1[C@@H]([NH3+])CC[N@H+]1C 307442246 346042765 /nfs/dbraw/zinc/04/27/65/346042765.db2.gz SMEVVCOZBXBCJC-UWVGGRQHSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1sccc1[C@H]1[C@@H]([NH3+])CC[N@@H+]1C 307442246 346042767 /nfs/dbraw/zinc/04/27/67/346042767.db2.gz SMEVVCOZBXBCJC-UWVGGRQHSA-N 2 2 196.319 1.760 10 0 ADAELP 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346108872 /nfs/dbraw/zinc/10/88/72/346108872.db2.gz RSHARWKGAAJDCW-RXMQYKEDSA-N 2 2 151.213 1.307 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)C[N@@H+]1C 307579206 346125903 /nfs/dbraw/zinc/12/59/03/346125903.db2.gz PEDLKOSOZIFVFV-RKDXNWHRSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1CC1([NH3+])CCC1 307592927 346134758 /nfs/dbraw/zinc/13/47/58/346134758.db2.gz GCSUFWUDVVMUOC-ZJUUUORDSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CC[C@@H](C)[C@H]1C 307602057 346140228 /nfs/dbraw/zinc/14/02/28/346140228.db2.gz VWTSKAIPERFUIC-GWOFURMSSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@H+]1CC[C@@H](C)[C@H]1C 307602057 346140229 /nfs/dbraw/zinc/14/02/29/346140229.db2.gz VWTSKAIPERFUIC-GWOFURMSSA-N 2 2 182.311 1.325 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@H]2C[C@H]2C)n1C 307607863 346143838 /nfs/dbraw/zinc/14/38/38/346143838.db2.gz CSMAKECBBYQKSI-KDILMLJESA-N 2 2 179.267 1.384 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 307609885 346144881 /nfs/dbraw/zinc/14/48/81/346144881.db2.gz GZVUIKABSTVPKF-MFDAYCCISA-N 2 2 184.327 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 307609885 346144882 /nfs/dbraw/zinc/14/48/82/346144882.db2.gz GZVUIKABSTVPKF-MFDAYCCISA-N 2 2 184.327 1.698 10 0 ADAELP Cn1c[nH+]c([C@@H]2CC[C@@H]([NH3+])C2)c1 307615419 346148613 /nfs/dbraw/zinc/14/86/13/346148613.db2.gz MKFYCAFJAFQMAK-HTQZYQBOSA-N 2 2 165.240 1.015 10 0 ADAELP c1[nH]c(C[NH2+][C@H]2CC[C@@H]3C[C@H]23)c[nH+]1 307622084 346152857 /nfs/dbraw/zinc/15/28/57/346152857.db2.gz CIOFFSFFTIBHLW-JEZHCXPESA-N 2 2 177.251 1.298 10 0 ADAELP CC(C)C1C[NH+]([C@H]2C[NH2+][C@@H](C)C2)C1 307663496 346171299 /nfs/dbraw/zinc/17/12/99/346171299.db2.gz IVQRLQGUIHVFIO-GXSJLCMTSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[C@H](c2[nH+]ccn2C)[C@@H](C)[NH2+]1 307700218 346191917 /nfs/dbraw/zinc/19/19/17/346191917.db2.gz QATCJORLUDWNEZ-HLTSFMKQSA-N 2 2 179.267 1.274 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])C2(C)CC2)n1C 307682640 346181067 /nfs/dbraw/zinc/18/10/67/346181067.db2.gz RXCZJKDAZZMBBL-VIFPVBQESA-N 2 2 179.267 1.528 10 0 ADAELP C1CCC[C@H](C[NH+]2CCC2)[NH2+]CC1 307758453 346225834 /nfs/dbraw/zinc/22/58/34/346225834.db2.gz OSJYLRIZADAKQN-LLVKDONJSA-N 2 2 182.311 1.614 10 0 ADAELP Cc1cc[nH+]cc1Cn1cc[nH+]c1C 334244099 346334480 /nfs/dbraw/zinc/33/44/80/346334480.db2.gz QDHGDCJCEOPACG-UHFFFAOYSA-N 2 2 187.246 1.943 10 0 ADAELP CC(C)[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 334998196 346373717 /nfs/dbraw/zinc/37/37/17/346373717.db2.gz MBOGFYMTQGSPOM-SECBINFHSA-N 2 2 174.263 1.028 10 0 ADAELP Cc1ccc(N[C@H](C)C2C[NH2+]C2)c[nH+]1 335052907 346376539 /nfs/dbraw/zinc/37/65/39/346376539.db2.gz VSEQIDPNHFDBGT-SECBINFHSA-N 2 2 191.278 1.410 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 385024571 346542695 /nfs/dbraw/zinc/54/26/95/346542695.db2.gz OXAKXRVSEHGHFC-YIZUVKHSSA-N 2 2 194.322 1.777 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]([N@H+](C)C2CC2)C1 401935485 346624377 /nfs/dbraw/zinc/62/43/77/346624377.db2.gz BNVNYAFBGAKMDO-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]([N@@H+](C)C2CC2)C1 401935485 346624378 /nfs/dbraw/zinc/62/43/78/346624378.db2.gz BNVNYAFBGAKMDO-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]([N@H+](C)C2CC2)C1 401935484 346624387 /nfs/dbraw/zinc/62/43/87/346624387.db2.gz BNVNYAFBGAKMDO-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]([N@@H+](C)C2CC2)C1 401935484 346624388 /nfs/dbraw/zinc/62/43/88/346624388.db2.gz BNVNYAFBGAKMDO-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]([NH+]2CC(C)(C)C2)C1 401943528 346625283 /nfs/dbraw/zinc/62/52/83/346625283.db2.gz HXBJZKLPSPBCEB-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP [NH3+]C1CC([N@@H+]2CCC=C(Cl)C2)C1 404395704 346641777 /nfs/dbraw/zinc/64/17/77/346641777.db2.gz PTPNSEBGMPABDI-UHFFFAOYSA-N 2 2 186.686 1.305 10 0 ADAELP [NH3+]C1CC([N@H+]2CCC=C(Cl)C2)C1 404395704 346641778 /nfs/dbraw/zinc/64/17/78/346641778.db2.gz PTPNSEBGMPABDI-UHFFFAOYSA-N 2 2 186.686 1.305 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c(C2CSC2)[nH]1 405144718 346658925 /nfs/dbraw/zinc/65/89/25/346658925.db2.gz WCKUFPGBIDLYEE-RXMQYKEDSA-N 2 2 183.280 1.260 10 0 ADAELP C[C@]1([NH3+])CC[N@@H+](Cc2cccs2)C1 405850501 346676486 /nfs/dbraw/zinc/67/64/86/346676486.db2.gz MAWSVRQFWCVWPM-JTQLQIEISA-N 2 2 196.319 1.671 10 0 ADAELP CC1=[NH+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@H]23 584659030 346746108 /nfs/dbraw/zinc/74/61/08/346746108.db2.gz IDKUMQUBXBQLBD-SRVKXCTJSA-N 2 2 192.306 1.952 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@@H](C(F)F)CC1 616601568 347109005 /nfs/dbraw/zinc/10/90/05/347109005.db2.gz QGDVLTVUSRKMCL-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@@H](C(F)F)CC1 616601568 347109006 /nfs/dbraw/zinc/10/90/06/347109006.db2.gz QGDVLTVUSRKMCL-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP C[N@@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 616601207 347109014 /nfs/dbraw/zinc/10/90/14/347109014.db2.gz AOPDXZHWPWLAFG-VIFPVBQESA-N 2 2 179.267 1.609 10 0 ADAELP C[N@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 616601207 347109015 /nfs/dbraw/zinc/10/90/15/347109015.db2.gz AOPDXZHWPWLAFG-VIFPVBQESA-N 2 2 179.267 1.609 10 0 ADAELP CC[N@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 616626753 347130089 /nfs/dbraw/zinc/13/00/89/347130089.db2.gz ASTXHXPSHLLWTG-JTQLQIEISA-N 2 2 193.294 1.999 10 0 ADAELP CC[N@@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 616609538 347113973 /nfs/dbraw/zinc/11/39/73/347113973.db2.gz ASTXHXPSHLLWTG-SNVBAGLBSA-N 2 2 193.294 1.999 10 0 ADAELP CC[N@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 616609538 347113974 /nfs/dbraw/zinc/11/39/74/347113974.db2.gz ASTXHXPSHLLWTG-SNVBAGLBSA-N 2 2 193.294 1.999 10 0 ADAELP C[N@@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 616610452 347114882 /nfs/dbraw/zinc/11/48/82/347114882.db2.gz JWPUAFSVGXIHAH-SECBINFHSA-N 2 2 179.267 1.609 10 0 ADAELP C[N@H+]1CCC[C@@H](c2c[nH]c[nH+]2)CC1 616610452 347114883 /nfs/dbraw/zinc/11/48/83/347114883.db2.gz JWPUAFSVGXIHAH-SECBINFHSA-N 2 2 179.267 1.609 10 0 ADAELP CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 616611481 347116104 /nfs/dbraw/zinc/11/61/04/347116104.db2.gz RKIZHQXCPBKNOZ-LLVKDONJSA-N 2 2 193.294 1.930 10 0 ADAELP CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 616630043 347130895 /nfs/dbraw/zinc/13/08/95/347130895.db2.gz ULULYIQEMVROGQ-JTQLQIEISA-N 2 2 193.294 1.999 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 625434409 347286144 /nfs/dbraw/zinc/28/61/44/347286144.db2.gz SKHQVIGAGUGDBB-IUCAKERBSA-N 2 2 191.278 1.424 10 0 ADAELP C/C=C/C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 629540504 347347320 /nfs/dbraw/zinc/34/73/20/347347320.db2.gz VBRLHKIHENOPOS-SEUFLZDSSA-N 2 2 182.311 1.683 10 0 ADAELP C[C@@H]1CCCC[C@H]1[N@@H+]1CCC[NH2+]CC1 38086864 351479588 /nfs/dbraw/zinc/47/95/88/351479588.db2.gz IQUUTTQTQFYOLP-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCCC[C@H]1[N@H+]1CCC[NH2+]CC1 38086864 351479589 /nfs/dbraw/zinc/47/95/89/351479589.db2.gz IQUUTTQTQFYOLP-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 54134842 351571561 /nfs/dbraw/zinc/57/15/61/351571561.db2.gz LHABYFXLARSQEF-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1[nH]c(C[NH+]2CCCC2)c[nH+]1 258359374 351861318 /nfs/dbraw/zinc/86/13/18/351861318.db2.gz ZEKPFITWMQFPNF-UHFFFAOYSA-N 2 2 165.240 1.314 10 0 ADAELP CC(C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1F 575498955 352398356 /nfs/dbraw/zinc/39/83/56/352398356.db2.gz LJVSNSCTHHDKAB-DTWKUNHWSA-N 2 2 174.263 1.027 10 0 ADAELP C/C=C/C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 575479733 352301547 /nfs/dbraw/zinc/30/15/47/352301547.db2.gz FPCVZBGUEZVAOO-OHINUGQQSA-N 2 2 168.284 1.374 10 0 ADAELP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2C)C[NH2+]1 575480382 352304656 /nfs/dbraw/zinc/30/46/56/352304656.db2.gz JDSVGMUBQRUOQV-BBBLOLIVSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2C)C[NH2+]1 575480382 352304657 /nfs/dbraw/zinc/30/46/57/352304657.db2.gz JDSVGMUBQRUOQV-BBBLOLIVSA-N 2 2 168.284 1.221 10 0 ADAELP [NH3+][C@@H]1CCC[N@H+](C2CC(F)(F)C2)C1 575482339 352315398 /nfs/dbraw/zinc/31/53/98/352315398.db2.gz RKVZCWLRCCFODE-SSDOTTSWSA-N 2 2 190.237 1.207 10 0 ADAELP 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343151393 /nfs/dbraw/zinc/15/13/93/343151393.db2.gz AQPBTEBZLUCEPM-DCAQKATOSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1C[C@@H](C)C[C@H](C)C1 36871994 343151466 /nfs/dbraw/zinc/15/14/66/343151466.db2.gz AQPBTEBZLUCEPM-GARJFASQSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36871991 343151629 /nfs/dbraw/zinc/15/16/29/343151629.db2.gz AQPBTEBZLUCEPM-AXFHLTTASA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36871991 343151632 /nfs/dbraw/zinc/15/16/32/343151632.db2.gz AQPBTEBZLUCEPM-AXFHLTTASA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H](C)C1 36871992 343151774 /nfs/dbraw/zinc/15/17/74/343151774.db2.gz AQPBTEBZLUCEPM-OUAUKWLOSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H](C)C1 36871992 343151777 /nfs/dbraw/zinc/15/17/77/343151777.db2.gz AQPBTEBZLUCEPM-OUAUKWLOSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 36875053 343152123 /nfs/dbraw/zinc/15/21/23/343152123.db2.gz PXHCGVLYKKBCTC-OUAUKWLOSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 36875053 343152125 /nfs/dbraw/zinc/15/21/25/343152125.db2.gz PXHCGVLYKKBCTC-OUAUKWLOSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 36875054 343152218 /nfs/dbraw/zinc/15/22/18/343152218.db2.gz PXHCGVLYKKBCTC-GMTAPVOTSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@@H]1CC[C@H]([NH3+])[C@H](n2cc[nH+]c2)C1 36878850 343152687 /nfs/dbraw/zinc/15/26/87/343152687.db2.gz LSWRRDKXEBPVOP-OUAUKWLOSA-N 2 2 193.294 1.962 10 0 ADAELP CCc1[nH+]c([C@H]2CCC[NH2+]C2)[nH]c1C 36876476 343152879 /nfs/dbraw/zinc/15/28/79/343152879.db2.gz JWXLGAFKMJGBIL-VIFPVBQESA-N 2 2 193.294 1.748 10 0 ADAELP CCc1[nH]c([C@H]2CCC[NH2+]C2)[nH+]c1C 36876476 343152882 /nfs/dbraw/zinc/15/28/82/343152882.db2.gz JWXLGAFKMJGBIL-VIFPVBQESA-N 2 2 193.294 1.748 10 0 ADAELP CCc1[nH+]c([C@@H]2CCC[NH2+]C2)[nH]c1C 36876475 343152888 /nfs/dbraw/zinc/15/28/88/343152888.db2.gz JWXLGAFKMJGBIL-SECBINFHSA-N 2 2 193.294 1.748 10 0 ADAELP CCc1[nH]c([C@@H]2CCC[NH2+]C2)[nH+]c1C 36876475 343152891 /nfs/dbraw/zinc/15/28/91/343152891.db2.gz JWXLGAFKMJGBIL-SECBINFHSA-N 2 2 193.294 1.748 10 0 ADAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H](n2cc[nH+]c2)C1 36878854 343152958 /nfs/dbraw/zinc/15/29/58/343152958.db2.gz LSWRRDKXEBPVOP-GMTAPVOTSA-N 2 2 193.294 1.962 10 0 ADAELP C[N@H+](C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] 37084287 343159073 /nfs/dbraw/zinc/15/90/73/343159073.db2.gz AJPNESHXQFZGFB-WDEREUQCSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] 37084287 343159076 /nfs/dbraw/zinc/15/90/76/343159076.db2.gz AJPNESHXQFZGFB-WDEREUQCSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@H+](C1CCCC1)[C@H]1CCC[C@@H]1[NH3+] 37084288 343159086 /nfs/dbraw/zinc/15/90/86/343159086.db2.gz AJPNESHXQFZGFB-QWRGUYRKSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1[NH3+] 37084288 343159090 /nfs/dbraw/zinc/15/90/90/343159090.db2.gz AJPNESHXQFZGFB-QWRGUYRKSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@H]1CCCC[N@@H+]1CC(N)=[NH2+] 37084370 343159119 /nfs/dbraw/zinc/15/91/19/343159119.db2.gz RWZVCGVOGVNZSA-QMMMGPOBSA-N 2 2 169.272 1.187 10 0 ADAELP CC[C@H]1CCCC[N@H+]1CC(N)=[NH2+] 37084370 343159120 /nfs/dbraw/zinc/15/91/20/343159120.db2.gz RWZVCGVOGVNZSA-QMMMGPOBSA-N 2 2 169.272 1.187 10 0 ADAELP CCC[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 37098223 343159611 /nfs/dbraw/zinc/15/96/11/343159611.db2.gz AWWXWNCFPXHZLA-IUCAKERBSA-N 2 2 156.273 1.208 10 0 ADAELP CCC[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 37098223 343159613 /nfs/dbraw/zinc/15/96/13/343159613.db2.gz AWWXWNCFPXHZLA-IUCAKERBSA-N 2 2 156.273 1.208 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] 37098224 343159622 /nfs/dbraw/zinc/15/96/22/343159622.db2.gz SUHXPZJNPVSUTF-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] 37098224 343159624 /nfs/dbraw/zinc/15/96/24/343159624.db2.gz SUHXPZJNPVSUTF-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 37098281 343159635 /nfs/dbraw/zinc/15/96/35/343159635.db2.gz OQOCRXAMNMCQMX-VHSXEESVSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 37098281 343159637 /nfs/dbraw/zinc/15/96/37/343159637.db2.gz OQOCRXAMNMCQMX-VHSXEESVSA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 37109949 343159646 /nfs/dbraw/zinc/15/96/46/343159646.db2.gz QWSSMXUJRCUHEG-LPEHRKFASA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 37109949 343159647 /nfs/dbraw/zinc/15/96/47/343159647.db2.gz QWSSMXUJRCUHEG-LPEHRKFASA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1 37107185 343159670 /nfs/dbraw/zinc/15/96/70/343159670.db2.gz WAGRCWCGYMTYPU-GHMZBOCLSA-N 2 2 193.294 1.975 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 37110007 343159714 /nfs/dbraw/zinc/15/97/14/343159714.db2.gz DLKHHNWMTKEUGG-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] 37110007 343159716 /nfs/dbraw/zinc/15/97/16/343159716.db2.gz DLKHHNWMTKEUGG-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 37117254 343160600 /nfs/dbraw/zinc/16/06/00/343160600.db2.gz DDMAFAWOBFPRTG-TUAOUCFPSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CCC[C@H]2CCCC[C@@H]21 37117254 343160603 /nfs/dbraw/zinc/16/06/03/343160603.db2.gz DDMAFAWOBFPRTG-TUAOUCFPSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[NH3+])cc1C 37180095 343162040 /nfs/dbraw/zinc/16/20/40/343162040.db2.gz NHVHKTLKRYPTBI-SNVBAGLBSA-N 2 2 164.252 1.262 10 0 ADAELP C[NH2+]C1CC[NH+](Cc2ccco2)CC1 37241355 343163631 /nfs/dbraw/zinc/16/36/31/343163631.db2.gz GMXNJOHGHMJBCK-UHFFFAOYSA-N 2 2 194.278 1.463 10 0 ADAELP Cc1ccc2[nH]c(C[C@@H](C)[NH3+])[nH+]c2c1 37288926 343165217 /nfs/dbraw/zinc/16/52/17/343165217.db2.gz LUPHKPBDCISIBG-MRVPVSSYSA-N 2 2 189.262 1.761 10 0 ADAELP Cc1ccc2[nH]c(C[C@H](C)[NH3+])[nH+]c2c1 37288927 343165459 /nfs/dbraw/zinc/16/54/59/343165459.db2.gz LUPHKPBDCISIBG-QMMMGPOBSA-N 2 2 189.262 1.761 10 0 ADAELP CC(C)c1c[nH]c(C[C@@H](C)[NH3+])[nH+]1 37476863 343170290 /nfs/dbraw/zinc/17/02/90/343170290.db2.gz BETWPBLWTMZUTN-SSDOTTSWSA-N 2 2 167.256 1.423 10 0 ADAELP C[C@H]([NH3+])Cc1[nH]cc(C(C)(C)C)[nH+]1 37476857 343170462 /nfs/dbraw/zinc/17/04/62/343170462.db2.gz LZUZHTLQPINRIE-ZETCQYMHSA-N 2 2 181.283 1.597 10 0 ADAELP CC(C)c1c[nH]c(C[C@H](C)[NH3+])[nH+]1 37476864 343170562 /nfs/dbraw/zinc/17/05/62/343170562.db2.gz BETWPBLWTMZUTN-ZETCQYMHSA-N 2 2 167.256 1.423 10 0 ADAELP CC1CC[NH+](CC2([NH3+])CCCC2)CC1 37479560 343170834 /nfs/dbraw/zinc/17/08/34/343170834.db2.gz NAGAFKWMZPAXPG-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@H]1CCCC[N@@H+]1C[C@](C)([NH3+])C1CC1 37479134 343170877 /nfs/dbraw/zinc/17/08/77/343170877.db2.gz LOIRGQGHAXGVGH-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCCC[N@H+]1C[C@](C)([NH3+])C1CC1 37479134 343170879 /nfs/dbraw/zinc/17/08/79/343170879.db2.gz LOIRGQGHAXGVGH-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 37477248 343170889 /nfs/dbraw/zinc/17/08/89/343170889.db2.gz HORLHWJUAMVEKO-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 37477248 343170891 /nfs/dbraw/zinc/17/08/91/343170891.db2.gz HORLHWJUAMVEKO-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CCC[N@H+](C[C@](C)([NH3+])C2CC2)C1 37479145 343170913 /nfs/dbraw/zinc/17/09/13/343170913.db2.gz DWQUPXYZHUUABC-JQWIXIFHSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1CCC[N@@H+](C[C@](C)([NH3+])C2CC2)C1 37479145 343170914 /nfs/dbraw/zinc/17/09/14/343170914.db2.gz DWQUPXYZHUUABC-JQWIXIFHSA-N 2 2 196.338 1.846 10 0 ADAELP CC1CC[NH+](C[C@](C)([NH3+])C2CC2)CC1 37479117 343170950 /nfs/dbraw/zinc/17/09/50/343170950.db2.gz VPUMEUCTCBUWIW-LBPRGKRZSA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 37477247 343170962 /nfs/dbraw/zinc/17/09/62/343170962.db2.gz HORLHWJUAMVEKO-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 37477247 343170964 /nfs/dbraw/zinc/17/09/64/343170964.db2.gz HORLHWJUAMVEKO-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CCC[N@H+](CC2([NH3+])CCCC2)C1 37479568 343171087 /nfs/dbraw/zinc/17/10/87/343171087.db2.gz FGHCKEJWXARWRM-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP C[C@H]1CCC[N@@H+](CC2([NH3+])CCCC2)C1 37479568 343171089 /nfs/dbraw/zinc/17/10/89/343171089.db2.gz FGHCKEJWXARWRM-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP C[C@H](c1cccs1)[N@@H+]1CC[C@H]([NH3+])C1 37483666 343171758 /nfs/dbraw/zinc/17/17/58/343171758.db2.gz AUIPUHZQNODGTN-BDAKNGLRSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@H](c1cccs1)[N@H+]1CC[C@H]([NH3+])C1 37483666 343171759 /nfs/dbraw/zinc/17/17/59/343171759.db2.gz AUIPUHZQNODGTN-BDAKNGLRSA-N 2 2 196.319 1.842 10 0 ADAELP CC(C)Oc1ccc([C@@H]([NH3+])C[NH3+])cc1 37742763 343177082 /nfs/dbraw/zinc/17/70/82/343177082.db2.gz ULIMPUGSLRWNKO-NSHDSACASA-N 2 2 194.278 1.432 10 0 ADAELP CC(C)Oc1ccc([C@H]([NH3+])C[NH3+])cc1 37742762 343177197 /nfs/dbraw/zinc/17/71/97/343177197.db2.gz ULIMPUGSLRWNKO-LLVKDONJSA-N 2 2 194.278 1.432 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37910641 343180538 /nfs/dbraw/zinc/18/05/38/343180538.db2.gz XXNDLHCXDHKSKF-NOOOWODRSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 37910641 343180539 /nfs/dbraw/zinc/18/05/39/343180539.db2.gz XXNDLHCXDHKSKF-NOOOWODRSA-N 2 2 196.338 1.987 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 37914088 343180915 /nfs/dbraw/zinc/18/09/15/343180915.db2.gz OMTWJMZZZHNBJN-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 37914088 343180917 /nfs/dbraw/zinc/18/09/17/343180917.db2.gz OMTWJMZZZHNBJN-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 37913658 343181070 /nfs/dbraw/zinc/18/10/70/343181070.db2.gz BABVUAAWKFPGRM-OUAUKWLOSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 37913658 343181071 /nfs/dbraw/zinc/18/10/71/343181071.db2.gz BABVUAAWKFPGRM-OUAUKWLOSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] 37925448 343181919 /nfs/dbraw/zinc/18/19/19/343181919.db2.gz YROVHGOAZAUDBN-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] 37925448 343181921 /nfs/dbraw/zinc/18/19/21/343181921.db2.gz YROVHGOAZAUDBN-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@H+](CC1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37925383 343182005 /nfs/dbraw/zinc/18/20/05/343182005.db2.gz PTKVJERZEHABLS-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@@H+](CC1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37925383 343182007 /nfs/dbraw/zinc/18/20/07/343182007.db2.gz PTKVJERZEHABLS-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+](CC1CC1)[C@H]1CCCCC[C@@H]1[NH3+] 37925449 343182017 /nfs/dbraw/zinc/18/20/17/343182017.db2.gz YROVHGOAZAUDBN-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CC1)[C@H]1CCCCC[C@@H]1[NH3+] 37925449 343182019 /nfs/dbraw/zinc/18/20/19/343182019.db2.gz YROVHGOAZAUDBN-RYUDHWBXSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@H+](CC1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37925382 343182071 /nfs/dbraw/zinc/18/20/71/343182071.db2.gz PTKVJERZEHABLS-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP C[N@@H+](CC1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37925382 343182072 /nfs/dbraw/zinc/18/20/72/343182072.db2.gz PTKVJERZEHABLS-WDEREUQCSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CCCC[C@H]1[N@@H+]1CCC[NH2+]CC1 38086865 343184265 /nfs/dbraw/zinc/18/42/65/343184265.db2.gz IQUUTTQTQFYOLP-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCCC[C@H]1[N@H+]1CCC[NH2+]CC1 38086865 343184266 /nfs/dbraw/zinc/18/42/66/343184266.db2.gz IQUUTTQTQFYOLP-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1ccc(NC[C@H](C)[NH+](C)C)[nH+]c1 38089179 343184276 /nfs/dbraw/zinc/18/42/76/343184276.db2.gz FZBKRDAWNLIEJH-JTQLQIEISA-N 2 2 193.294 1.752 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CCC[NH2+]CC1 38086846 343184288 /nfs/dbraw/zinc/18/42/88/343184288.db2.gz XOCYPCFZRITJBN-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CCC[NH2+]CC1 38086846 343184289 /nfs/dbraw/zinc/18/42/89/343184289.db2.gz XOCYPCFZRITJBN-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)[C@H](C)[N@@H+]1CCC[NH2+]CC1 38087081 343184404 /nfs/dbraw/zinc/18/44/04/343184404.db2.gz SXNHNGWNFINEMY-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)[C@H](C)[N@H+]1CCC[NH2+]CC1 38087081 343184405 /nfs/dbraw/zinc/18/44/05/343184405.db2.gz SXNHNGWNFINEMY-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1CCC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 38086871 343184458 /nfs/dbraw/zinc/18/44/58/343184458.db2.gz SFTOENHSSQNJSH-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[C@H]([N@H+]2CCC[NH2+]CC2)C1 38086871 343184460 /nfs/dbraw/zinc/18/44/60/343184460.db2.gz SFTOENHSSQNJSH-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H](C(C)C)[N@@H+]1CCC[NH2+]CC1 38087084 343184468 /nfs/dbraw/zinc/18/44/68/343184468.db2.gz VYWUVBCFLZELQI-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C(C)C)[N@H+]1CCC[NH2+]CC1 38087084 343184470 /nfs/dbraw/zinc/18/44/70/343184470.db2.gz VYWUVBCFLZELQI-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CCC[NH2+]CC1 38086845 343184477 /nfs/dbraw/zinc/18/44/77/343184477.db2.gz XOCYPCFZRITJBN-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CCC[NH2+]CC1 38086845 343184478 /nfs/dbraw/zinc/18/44/78/343184478.db2.gz XOCYPCFZRITJBN-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP Cc1ccc(NC[C@@H](C)[NH+](C)C)[nH+]c1 38089178 343184525 /nfs/dbraw/zinc/18/45/25/343184525.db2.gz FZBKRDAWNLIEJH-SNVBAGLBSA-N 2 2 193.294 1.752 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@@H+]1CCC[NH2+]CC1 38087079 343184578 /nfs/dbraw/zinc/18/45/78/343184578.db2.gz SXNHNGWNFINEMY-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@H+]1CCC[NH2+]CC1 38087079 343184579 /nfs/dbraw/zinc/18/45/79/343184579.db2.gz SXNHNGWNFINEMY-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H](c1ccco1)[N@@H+]1CCC[NH2+]CC1 38086970 343184585 /nfs/dbraw/zinc/18/45/85/343184585.db2.gz ZWCNIEPNJUMSRT-SNVBAGLBSA-N 2 2 194.278 1.636 10 0 ADAELP C[C@H](c1ccco1)[N@H+]1CCC[NH2+]CC1 38086970 343184586 /nfs/dbraw/zinc/18/45/86/343184586.db2.gz ZWCNIEPNJUMSRT-SNVBAGLBSA-N 2 2 194.278 1.636 10 0 ADAELP C[C@H]1CCCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 38086863 343184591 /nfs/dbraw/zinc/18/45/91/343184591.db2.gz IQUUTTQTQFYOLP-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCCC[C@@H]1[N@H+]1CCC[NH2+]CC1 38086863 343184593 /nfs/dbraw/zinc/18/45/93/343184593.db2.gz IQUUTTQTQFYOLP-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 38086873 343184619 /nfs/dbraw/zinc/18/46/19/343184619.db2.gz SFTOENHSSQNJSH-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[C@@H]([N@H+]2CCC[NH2+]CC2)C1 38086873 343184620 /nfs/dbraw/zinc/18/46/20/343184620.db2.gz SFTOENHSSQNJSH-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CCC[N@H+](CC(N)=[NH2+])C1 38734104 343190216 /nfs/dbraw/zinc/19/02/16/343190216.db2.gz SEWDDCVUIRICIL-QMMMGPOBSA-N 2 2 169.272 1.044 10 0 ADAELP CC[C@H]1CCC[N@@H+](CC(N)=[NH2+])C1 38734104 343190218 /nfs/dbraw/zinc/19/02/18/343190218.db2.gz SEWDDCVUIRICIL-QMMMGPOBSA-N 2 2 169.272 1.044 10 0 ADAELP CC[C@@H]1CCC[N@H+](CC(N)=[NH2+])C1 38734101 343190225 /nfs/dbraw/zinc/19/02/25/343190225.db2.gz SEWDDCVUIRICIL-MRVPVSSYSA-N 2 2 169.272 1.044 10 0 ADAELP CC[C@@H]1CCC[N@@H+](CC(N)=[NH2+])C1 38734101 343190226 /nfs/dbraw/zinc/19/02/26/343190226.db2.gz SEWDDCVUIRICIL-MRVPVSSYSA-N 2 2 169.272 1.044 10 0 ADAELP CC[C@H]([NH3+])C[N@H+](C)C1CCCCC1 38801468 343190408 /nfs/dbraw/zinc/19/04/08/343190408.db2.gz OYBXKDGRXYSVBT-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC 38801482 343190501 /nfs/dbraw/zinc/19/05/01/343190501.db2.gz FVSBHTLZBDJNHA-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CC 38801482 343190502 /nfs/dbraw/zinc/19/05/02/343190502.db2.gz FVSBHTLZBDJNHA-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1CCCCCC1 38801448 343190524 /nfs/dbraw/zinc/19/05/24/343190524.db2.gz PPORNUPGBYPNFQ-JTQLQIEISA-N 2 2 170.300 1.600 10 0 ADAELP C[N@H+](CC(N)=[NH2+])C1CCCCCC1 38783014 343190594 /nfs/dbraw/zinc/19/05/94/343190594.db2.gz RXJABLGYDAMMGC-UHFFFAOYSA-N 2 2 183.299 1.577 10 0 ADAELP C[N@@H+](CC(N)=[NH2+])C1CCCCCC1 38783014 343190596 /nfs/dbraw/zinc/19/05/96/343190596.db2.gz RXJABLGYDAMMGC-UHFFFAOYSA-N 2 2 183.299 1.577 10 0 ADAELP CC[C@@H]([NH3+])C[NH+]1CCCCCC1 38801450 343190629 /nfs/dbraw/zinc/19/06/29/343190629.db2.gz PPORNUPGBYPNFQ-SNVBAGLBSA-N 2 2 170.300 1.600 10 0 ADAELP C[C@H]1CCC[C@H](C)[NH+]1CC(N)=[NH2+] 38986356 343192559 /nfs/dbraw/zinc/19/25/59/343192559.db2.gz XKEVJGVNTOLXLQ-YUMQZZPRSA-N 2 2 169.272 1.185 10 0 ADAELP CC(C)c1[nH+]cc2n1CC[NH2+]C2 39082099 343196877 /nfs/dbraw/zinc/19/68/77/343196877.db2.gz PUOBSBGCVWTROV-UHFFFAOYSA-N 2 2 165.240 1.110 10 0 ADAELP CCC[NH+]1CCN(C(C)=[NH2+])CC1 39082670 343197324 /nfs/dbraw/zinc/19/73/24/343197324.db2.gz RBHNDWALKDLVDU-UHFFFAOYSA-N 2 2 169.272 1.011 10 0 ADAELP CCC(=[NH2+])N1CC[NH+](CC)CC1 39082769 343197398 /nfs/dbraw/zinc/19/73/98/343197398.db2.gz DGHVBELJZLKRJB-UHFFFAOYSA-N 2 2 169.272 1.011 10 0 ADAELP CCc1[nH]c(C2CC[NH2+]CC2)c[nH+]1 39133108 343203301 /nfs/dbraw/zinc/20/33/01/343203301.db2.gz GHZFGJSSTSFELZ-UHFFFAOYSA-N 2 2 179.267 1.439 10 0 ADAELP Cc1[nH]c(C2CC[NH2+]CC2)c[nH+]1 39133103 343203479 /nfs/dbraw/zinc/20/34/79/343203479.db2.gz OXLRVSCCSLSIPM-UHFFFAOYSA-N 2 2 165.240 1.185 10 0 ADAELP Cc1[nH]c(C)c(C2CC[NH2+]CC2)[nH+]1 39133097 343203512 /nfs/dbraw/zinc/20/35/12/343203512.db2.gz HJFWTPBKEOHIBB-UHFFFAOYSA-N 2 2 179.267 1.494 10 0 ADAELP C[C@H]1c2cccn2CC[N@H+]1CCC[NH3+] 40175402 343215694 /nfs/dbraw/zinc/21/56/94/343215694.db2.gz FKLNDQCWSSQPCB-JTQLQIEISA-N 2 2 193.294 1.214 10 0 ADAELP C[C@H]1c2cccn2CC[N@@H+]1CCC[NH3+] 40175402 343215695 /nfs/dbraw/zinc/21/56/95/343215695.db2.gz FKLNDQCWSSQPCB-JTQLQIEISA-N 2 2 193.294 1.214 10 0 ADAELP Cc1cc(C)c(C[NH3+])c(N(C)C)[nH+]1 40509337 343219801 /nfs/dbraw/zinc/21/98/01/343219801.db2.gz DAQPEEUUSSRDTM-UHFFFAOYSA-N 2 2 179.267 1.223 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]C2CCCC2)C1 40671729 343220644 /nfs/dbraw/zinc/22/06/44/343220644.db2.gz DTTHEQDSRPKJNA-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]C2CCCC2)C1 40671729 343220647 /nfs/dbraw/zinc/22/06/47/343220647.db2.gz DTTHEQDSRPKJNA-LLVKDONJSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]C2CCCC2)C1 40671728 343220671 /nfs/dbraw/zinc/22/06/71/343220671.db2.gz DTTHEQDSRPKJNA-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]C2CCCC2)C1 40671728 343220674 /nfs/dbraw/zinc/22/06/74/343220674.db2.gz DTTHEQDSRPKJNA-NSHDSACASA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1(C)CC1 40672669 343220755 /nfs/dbraw/zinc/22/07/55/343220755.db2.gz JYKVTEICXGGNFR-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1(C)CC1 40672669 343220758 /nfs/dbraw/zinc/22/07/58/343220758.db2.gz JYKVTEICXGGNFR-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]CCC[NH2+]Cc1ccc(C)o1 40719711 343221731 /nfs/dbraw/zinc/22/17/31/343221731.db2.gz NAANGGRAVNERCV-UHFFFAOYSA-N 2 2 182.267 1.287 10 0 ADAELP CCC[NH2+]CC[NH+]1CCC(C)CC1 40771518 343223132 /nfs/dbraw/zinc/22/31/32/343223132.db2.gz FMERWPWLDAHENW-UHFFFAOYSA-N 2 2 184.327 1.718 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@@H+]1CC(C)(C)[NH3+] 40925812 343224182 /nfs/dbraw/zinc/22/41/82/343224182.db2.gz TZRHPAKIJIXFMV-AOOOYVTPSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@H+](Cc1ccco1)[C@H]1CCC[C@@H]1[NH3+] 40989269 343225021 /nfs/dbraw/zinc/22/50/21/343225021.db2.gz CDSNEUXOGKJYNJ-QWRGUYRKSA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccco1)[C@H]1CCC[C@@H]1[NH3+] 40989269 343225022 /nfs/dbraw/zinc/22/50/22/343225022.db2.gz CDSNEUXOGKJYNJ-QWRGUYRKSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@H](c1ccco1)[N@@H+]1CCC[C@H]([NH3+])C1 41027828 343225403 /nfs/dbraw/zinc/22/54/03/343225403.db2.gz MPPFWTRDJCNLMV-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccco1)[N@H+]1CCC[C@H]([NH3+])C1 41027828 343225406 /nfs/dbraw/zinc/22/54/06/343225406.db2.gz MPPFWTRDJCNLMV-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 41027589 343225530 /nfs/dbraw/zinc/22/55/30/343225530.db2.gz CSQOKQGMORXZHA-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 41027589 343225533 /nfs/dbraw/zinc/22/55/33/343225533.db2.gz CSQOKQGMORXZHA-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP CC1CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 41027565 343225624 /nfs/dbraw/zinc/22/56/24/343225624.db2.gz ITCVCHCNAQODID-MOENNCHZSA-N 2 2 196.338 1.988 10 0 ADAELP CC1CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 41027565 343225625 /nfs/dbraw/zinc/22/56/25/343225625.db2.gz ITCVCHCNAQODID-MOENNCHZSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 41027587 343225695 /nfs/dbraw/zinc/22/56/95/343225695.db2.gz CSQOKQGMORXZHA-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 41027587 343225696 /nfs/dbraw/zinc/22/56/96/343225696.db2.gz CSQOKQGMORXZHA-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1nc(C[NH+](C)C)sc1[C@@H](C)[NH3+] 41046546 343227094 /nfs/dbraw/zinc/22/70/94/343227094.db2.gz BTMVCXNCQLPIRM-ZCFIWIBFSA-N 2 2 199.323 1.533 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)C)C1 41051482 343228079 /nfs/dbraw/zinc/22/80/79/343228079.db2.gz CWWJSEPKTLYRAJ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)C)C1 41051482 343228076 /nfs/dbraw/zinc/22/80/76/343228076.db2.gz CWWJSEPKTLYRAJ-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)C1CCCC1 41053794 343228485 /nfs/dbraw/zinc/22/84/85/343228485.db2.gz OVSSOWJSHQUPLM-IUCAKERBSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)[C@@H](C)[NH3+])C1 41053694 343228255 /nfs/dbraw/zinc/22/82/55/343228255.db2.gz FYSHZENZBDQKMH-YTWAJWBKSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)[C@@H](C)[NH3+])C1 41053694 343228257 /nfs/dbraw/zinc/22/82/57/343228257.db2.gz FYSHZENZBDQKMH-YTWAJWBKSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCCC1 41053744 343228382 /nfs/dbraw/zinc/22/83/82/343228382.db2.gz JFSXZEQLXPHBDX-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCCC1 41053744 343228385 /nfs/dbraw/zinc/22/83/85/343228385.db2.gz JFSXZEQLXPHBDX-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053890 343228396 /nfs/dbraw/zinc/22/83/96/343228396.db2.gz ZCKGALFJSIJNHZ-KXUCPTDWSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053890 343228397 /nfs/dbraw/zinc/22/83/97/343228397.db2.gz ZCKGALFJSIJNHZ-KXUCPTDWSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)C1CCCC1 41053794 343228483 /nfs/dbraw/zinc/22/84/83/343228483.db2.gz OVSSOWJSHQUPLM-IUCAKERBSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)C1CCCCC1 41053746 343228531 /nfs/dbraw/zinc/22/85/31/343228531.db2.gz JFSXZEQLXPHBDX-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)C1CCCCC1 41053746 343228534 /nfs/dbraw/zinc/22/85/34/343228534.db2.gz JFSXZEQLXPHBDX-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1CCCCCC1 41053730 343228615 /nfs/dbraw/zinc/22/86/15/343228615.db2.gz MFVHRHIFYRTFKC-UWVGGRQHSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1CCCCCCC1 41053774 343228685 /nfs/dbraw/zinc/22/86/85/343228685.db2.gz QNZYSOWEFWTQRF-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053790 343228736 /nfs/dbraw/zinc/22/87/36/343228736.db2.gz JZUULQCRAKAFKZ-OUAUKWLOSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053790 343228738 /nfs/dbraw/zinc/22/87/38/343228738.db2.gz JZUULQCRAKAFKZ-OUAUKWLOSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCC1 41053792 343228749 /nfs/dbraw/zinc/22/87/49/343228749.db2.gz OVSSOWJSHQUPLM-DTWKUNHWSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCC1 41053792 343228751 /nfs/dbraw/zinc/22/87/51/343228751.db2.gz OVSSOWJSHQUPLM-DTWKUNHWSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH+]1CCCCCC1 41053728 343228802 /nfs/dbraw/zinc/22/88/02/343228802.db2.gz MFVHRHIFYRTFKC-VHSXEESVSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH+]1CCCCCCC1 41053772 343228812 /nfs/dbraw/zinc/22/88/12/343228812.db2.gz QNZYSOWEFWTQRF-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CCc1[nH+]ccn1-c1cc[nH+]cc1N 42419563 343242244 /nfs/dbraw/zinc/24/22/44/343242244.db2.gz ZIHWITQXHSAOOE-UHFFFAOYSA-N 2 2 188.234 1.412 10 0 ADAELP CCC1CC[NH+](CC(N)=[NH2+])CC1 42453683 343243089 /nfs/dbraw/zinc/24/30/89/343243089.db2.gz DDYSLTCXNZXHQB-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP C[N@H+](Cc1ccoc1)[C@H]1CCC[C@@H]1[NH3+] 42448567 343243394 /nfs/dbraw/zinc/24/33/94/343243394.db2.gz RVSICRYHUBRLEL-QWRGUYRKSA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccoc1)[C@H]1CCC[C@@H]1[NH3+] 42448567 343243396 /nfs/dbraw/zinc/24/33/96/343243396.db2.gz RVSICRYHUBRLEL-QWRGUYRKSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 42543718 343245510 /nfs/dbraw/zinc/24/55/10/343245510.db2.gz KDARILKINJYNQU-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 42543718 343245511 /nfs/dbraw/zinc/24/55/11/343245511.db2.gz KDARILKINJYNQU-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+]CC2CCCC2)C1 42546470 343246017 /nfs/dbraw/zinc/24/60/17/343246017.db2.gz VCDVIDDTXITGCI-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+]CC2CCCC2)C1 42546470 343246018 /nfs/dbraw/zinc/24/60/18/343246018.db2.gz VCDVIDDTXITGCI-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cccc(N[C@H]2CC[N@@H+](C)C2)[nH+]1 42548157 343246107 /nfs/dbraw/zinc/24/61/07/343246107.db2.gz IBZGMCWSJRNJAP-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cccc(N[C@H]2CC[N@H+](C)C2)[nH+]1 42548157 343246109 /nfs/dbraw/zinc/24/61/09/343246109.db2.gz IBZGMCWSJRNJAP-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+]CC2CCCC2)C1 42546467 343246292 /nfs/dbraw/zinc/24/62/92/343246292.db2.gz VCDVIDDTXITGCI-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+]CC2CCCC2)C1 42546467 343246294 /nfs/dbraw/zinc/24/62/94/343246294.db2.gz VCDVIDDTXITGCI-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cccc(N[C@@H]2CC[N@@H+](C)C2)[nH+]1 42548154 343246389 /nfs/dbraw/zinc/24/63/89/343246389.db2.gz IBZGMCWSJRNJAP-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cccc(N[C@@H]2CC[N@H+](C)C2)[nH+]1 42548154 343246392 /nfs/dbraw/zinc/24/63/92/343246392.db2.gz IBZGMCWSJRNJAP-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1cccs1)[NH+](C)C 43102739 343250415 /nfs/dbraw/zinc/25/04/15/343250415.db2.gz YKPLSDZMGMXZDN-CBAPKCEASA-N 2 2 184.308 1.698 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)[NH+](C)C 42971011 343250431 /nfs/dbraw/zinc/25/04/31/343250431.db2.gz HXZXZIRPIFCWGK-KWQFWETISA-N 2 2 196.269 1.776 10 0 ADAELP C[C@H]([NH3+])[C@H](c1ccsc1)[NH+](C)C 43115804 343250460 /nfs/dbraw/zinc/25/04/60/343250460.db2.gz FDRFBRNYGBRZLM-IONNQARKSA-N 2 2 184.308 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)[NH+](C)C 42913298 343250518 /nfs/dbraw/zinc/25/05/18/343250518.db2.gz ATRDMKFAKLHUCH-GZMMTYOYSA-N 2 2 196.269 1.776 10 0 ADAELP C[C@H]([NH3+])[C@H](c1cccs1)[NH+](C)C 43102745 343250520 /nfs/dbraw/zinc/25/05/20/343250520.db2.gz YKPLSDZMGMXZDN-IONNQARKSA-N 2 2 184.308 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](c1cccc(F)c1)[NH+](C)C 42971015 343250561 /nfs/dbraw/zinc/25/05/61/343250561.db2.gz HXZXZIRPIFCWGK-GZMMTYOYSA-N 2 2 196.269 1.776 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[NH+](C)C 43115796 343250580 /nfs/dbraw/zinc/25/05/80/343250580.db2.gz FDRFBRNYGBRZLM-CBAPKCEASA-N 2 2 184.308 1.698 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)[NH+](C)C 42913295 343250585 /nfs/dbraw/zinc/25/05/85/343250585.db2.gz ATRDMKFAKLHUCH-KWQFWETISA-N 2 2 196.269 1.776 10 0 ADAELP C[C@H]([NH3+])[C@H](n1cc[nH+]c1)C(C)(C)C 43294784 343250811 /nfs/dbraw/zinc/25/08/11/343250811.db2.gz CNDYJNYVZSGOKQ-IUCAKERBSA-N 2 2 181.283 1.818 10 0 ADAELP C[C@H]([NH3+])[C@@H]([NH+]1CCCC1)C(C)(C)C 43291311 343250898 /nfs/dbraw/zinc/25/08/98/343250898.db2.gz BKFSNVQBWYBCSF-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H]([NH+]1CCCC1)C(C)(C)C 43291308 343250987 /nfs/dbraw/zinc/25/09/87/343250987.db2.gz BKFSNVQBWYBCSF-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cccc([C@@H](C[NH3+])[NH+](C)C)c1C 43314485 343251123 /nfs/dbraw/zinc/25/11/23/343251123.db2.gz HWIGQVDXIBAZBU-GFCCVEGCSA-N 2 2 192.306 1.865 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1ccco1)n1cc[nH+]c1 43336353 343251209 /nfs/dbraw/zinc/25/12/09/343251209.db2.gz BNOVWJCVHNRPHN-WPRPVWTQSA-N 2 2 191.234 1.413 10 0 ADAELP Cc1cccc([C@H](C[NH3+])[NH+](C)C)c1C 43314487 343251459 /nfs/dbraw/zinc/25/14/59/343251459.db2.gz HWIGQVDXIBAZBU-LBPRGKRZSA-N 2 2 192.306 1.865 10 0 ADAELP C[C@H]([NH3+])[C@@H](n1cc[nH+]c1)C(F)(F)F 43379342 343251644 /nfs/dbraw/zinc/25/16/44/343251644.db2.gz XLAGUEIDXRCYFU-NTSWFWBYSA-N 2 2 193.172 1.334 10 0 ADAELP C[C@H]([NH3+])[C@H](n1cc[nH+]c1)C(F)(F)F 43379339 343251758 /nfs/dbraw/zinc/25/17/58/343251758.db2.gz XLAGUEIDXRCYFU-WDSKDSINSA-N 2 2 193.172 1.334 10 0 ADAELP Cc1ccc(C[NH3+])c(-n2cc[nH+]c2)n1 43396066 343252027 /nfs/dbraw/zinc/25/20/27/343252027.db2.gz BWYSZJNOHZDBDJ-UHFFFAOYSA-N 2 2 188.234 1.034 10 0 ADAELP Cc1cc(C)cc([C@H](C[NH3+])[NH+](C)C)c1 43393911 343252098 /nfs/dbraw/zinc/25/20/98/343252098.db2.gz SXQDHTDXXKQNRG-LBPRGKRZSA-N 2 2 192.306 1.865 10 0 ADAELP Cc1[nH+]c2ccccc2n1[C@@H](C)C[NH3+] 43513981 343253051 /nfs/dbraw/zinc/25/30/51/343253051.db2.gz QQMXOTSNGYBMOS-QMMMGPOBSA-N 2 2 189.262 1.864 10 0 ADAELP Cc1[nH+]c2ccccc2n1[C@H](C)C[NH3+] 43513982 343253185 /nfs/dbraw/zinc/25/31/85/343253185.db2.gz QQMXOTSNGYBMOS-MRVPVSSYSA-N 2 2 189.262 1.864 10 0 ADAELP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](C)C2)c1 43561612 343255628 /nfs/dbraw/zinc/25/56/28/343255628.db2.gz CNVBRZYTGDHJBA-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](C)C2)c1 43561612 343255631 /nfs/dbraw/zinc/25/56/31/343255631.db2.gz CNVBRZYTGDHJBA-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1[nH+]ccn1-c1cc(N)cc[nH+]1 43569333 343255887 /nfs/dbraw/zinc/25/58/87/343255887.db2.gz TXWLDHFYSXXEOY-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP CCc1[nH+]ccn1-c1cc(N)cc[nH+]1 43569345 343255956 /nfs/dbraw/zinc/25/59/56/343255956.db2.gz JOFSMCJFBXXBOX-UHFFFAOYSA-N 2 2 188.234 1.412 10 0 ADAELP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](C)C2)c1 43561613 343255989 /nfs/dbraw/zinc/25/59/89/343255989.db2.gz CNVBRZYTGDHJBA-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP Cc1cc[nH+]c(N[C@H]2CC[N@H+](C)C2)c1 43561613 343255992 /nfs/dbraw/zinc/25/59/92/343255992.db2.gz CNVBRZYTGDHJBA-JTQLQIEISA-N 2 2 191.278 1.506 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1[C@H](C)CCC[C@H]1C 43815524 343259894 /nfs/dbraw/zinc/25/98/94/343259894.db2.gz CISCXVYDCLZYRF-GMTAPVOTSA-N 2 2 184.327 1.857 10 0 ADAELP Cc1cc(CCC[NH3+])cc[nH+]1 44283537 343263230 /nfs/dbraw/zinc/26/32/30/343263230.db2.gz LLUHGYLDNBPRPG-UHFFFAOYSA-N 2 2 150.225 1.281 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 44380258 343264468 /nfs/dbraw/zinc/26/44/68/343264468.db2.gz UICFLIJMTWZXRC-LLVKDONJSA-N 2 2 184.327 1.718 10 0 ADAELP CCC[NH2+]CC[N@H+]1CCC[C@@H](C)C1 44380258 343264469 /nfs/dbraw/zinc/26/44/69/343264469.db2.gz UICFLIJMTWZXRC-LLVKDONJSA-N 2 2 184.327 1.718 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 44390178 343264518 /nfs/dbraw/zinc/26/45/18/343264518.db2.gz GBTHFTLIPFKVTG-QWRGUYRKSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 44390178 343264520 /nfs/dbraw/zinc/26/45/20/343264520.db2.gz GBTHFTLIPFKVTG-QWRGUYRKSA-N 2 2 184.327 1.572 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CCC[C@H](C)C1 44380253 343264639 /nfs/dbraw/zinc/26/46/39/343264639.db2.gz UICFLIJMTWZXRC-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP CCC[NH2+]CC[N@H+]1CCC[C@H](C)C1 44380253 343264641 /nfs/dbraw/zinc/26/46/41/343264641.db2.gz UICFLIJMTWZXRC-NSHDSACASA-N 2 2 184.327 1.718 10 0 ADAELP CCC[NH2+]CC[N@@H+]1CCCC[C@H]1C 44380218 343264783 /nfs/dbraw/zinc/26/47/83/343264783.db2.gz KFZOXFNIOVRWCA-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCC[NH2+]CC[N@H+]1CCCC[C@H]1C 44380218 343264785 /nfs/dbraw/zinc/26/47/85/343264785.db2.gz KFZOXFNIOVRWCA-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CC[C@H]([NH3+])Cc1cc[nH+]cc1C 44401947 343264982 /nfs/dbraw/zinc/26/49/82/343264982.db2.gz AQNLKOHVUDAIPE-JTQLQIEISA-N 2 2 164.252 1.670 10 0 ADAELP CC[C@@H]([NH3+])Cc1cc[nH+]cc1C 44401950 343265123 /nfs/dbraw/zinc/26/51/23/343265123.db2.gz AQNLKOHVUDAIPE-SNVBAGLBSA-N 2 2 164.252 1.670 10 0 ADAELP CCc1ccc([C@@H]([NH3+])C[NH3+])s1 44469872 343265816 /nfs/dbraw/zinc/26/58/16/343265816.db2.gz IWRIMKXKVZSOES-ZETCQYMHSA-N 2 2 170.281 1.269 10 0 ADAELP CCc1ccc([C@H]([NH3+])C[NH3+])s1 44469869 343265861 /nfs/dbraw/zinc/26/58/61/343265861.db2.gz IWRIMKXKVZSOES-SSDOTTSWSA-N 2 2 170.281 1.269 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1ccnc2ccccc12 44469164 343265897 /nfs/dbraw/zinc/26/58/97/343265897.db2.gz GSJPQAGGYZCVHQ-JTQLQIEISA-N 2 2 187.246 1.193 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])ccc1Cl 44470784 343266120 /nfs/dbraw/zinc/26/61/20/343266120.db2.gz FOBYUSYKPJDZCW-VIFPVBQESA-N 2 2 184.670 1.607 10 0 ADAELP Cc1cc(Cl)ccc1[C@@H]([NH3+])C[NH3+] 44470778 343266198 /nfs/dbraw/zinc/26/61/98/343266198.db2.gz XQMNOFUXBMCHGD-VIFPVBQESA-N 2 2 184.670 1.607 10 0 ADAELP Cc1cc(Cl)ccc1[C@H]([NH3+])C[NH3+] 44470775 343266205 /nfs/dbraw/zinc/26/62/05/343266205.db2.gz XQMNOFUXBMCHGD-SECBINFHSA-N 2 2 184.670 1.607 10 0 ADAELP Cc1cc([C@@H]([NH3+])C[NH3+])c(C)s1 44474228 343266236 /nfs/dbraw/zinc/26/62/36/343266236.db2.gz JARDXTFRNGYVJK-QMMMGPOBSA-N 2 2 170.281 1.323 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])ccc1Cl 44470781 343266244 /nfs/dbraw/zinc/26/62/44/343266244.db2.gz FOBYUSYKPJDZCW-SECBINFHSA-N 2 2 184.670 1.607 10 0 ADAELP Cc1cc(F)ccc1[C@H]([NH3+])C[NH3+] 44470792 343266287 /nfs/dbraw/zinc/26/62/87/343266287.db2.gz RYYHUPMMRVEURF-SECBINFHSA-N 2 2 168.215 1.093 10 0 ADAELP Cc1cc([C@H]([NH3+])C[NH3+])c(C)s1 44474225 343266363 /nfs/dbraw/zinc/26/63/63/343266363.db2.gz JARDXTFRNGYVJK-MRVPVSSYSA-N 2 2 170.281 1.323 10 0 ADAELP Cc1cccc2c([C@H]([NH3+])C[NH3+])c[nH]c12 44472652 343266395 /nfs/dbraw/zinc/26/63/95/343266395.db2.gz XWWUWRVFBDVKBI-SNVBAGLBSA-N 2 2 189.262 1.435 10 0 ADAELP C1CC([NH2+][C@H]2C[NH+]3CCC2CC3)C1 44480109 343266587 /nfs/dbraw/zinc/26/65/87/343266587.db2.gz QXWAPSBBBBQXSL-NSHDSACASA-N 2 2 180.295 1.223 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]C2CCC2)C1 44481890 343266600 /nfs/dbraw/zinc/26/66/00/343266600.db2.gz KYAFJMSZNNAAON-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]C2CCC2)C1 44481890 343266603 /nfs/dbraw/zinc/26/66/03/343266603.db2.gz KYAFJMSZNNAAON-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C1CC([NH2+]CC[NH+]2CCCC2)C1 44480300 343266681 /nfs/dbraw/zinc/26/66/81/343266681.db2.gz VOBMWDZNECWPLT-UHFFFAOYSA-N 2 2 168.284 1.224 10 0 ADAELP C1CC([NH2+][C@@H]2C[NH+]3CCC2CC3)C1 44480107 343266762 /nfs/dbraw/zinc/26/67/62/343266762.db2.gz QXWAPSBBBBQXSL-LLVKDONJSA-N 2 2 180.295 1.223 10 0 ADAELP Cc1[nH]c2c(CC[NH3+])cccc2[nH+]1 45820868 343272383 /nfs/dbraw/zinc/27/23/83/343272383.db2.gz DQEKZOWMYPCORS-UHFFFAOYSA-N 2 2 175.235 1.373 10 0 ADAELP Cc1[nH]c2cccc(CC[NH3+])c2[nH+]1 45820868 343272384 /nfs/dbraw/zinc/27/23/84/343272384.db2.gz DQEKZOWMYPCORS-UHFFFAOYSA-N 2 2 175.235 1.373 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]CC2CCCC2)C1 50271992 343280487 /nfs/dbraw/zinc/28/04/87/343280487.db2.gz WGJWMMYIOVVQOI-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]CC2CCCC2)C1 50271992 343280489 /nfs/dbraw/zinc/28/04/89/343280489.db2.gz WGJWMMYIOVVQOI-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H](C)C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 50427714 343282622 /nfs/dbraw/zinc/28/26/22/343282622.db2.gz WZHYQBBXKPUNKE-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 50427714 343282624 /nfs/dbraw/zinc/28/26/24/343282624.db2.gz WZHYQBBXKPUNKE-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cc(C)c(C[NH3+])c(NC(C)C)[nH+]1 50423130 343282785 /nfs/dbraw/zinc/28/27/85/343282785.db2.gz XVCMJYSCBGMJOM-UHFFFAOYSA-N 2 2 193.294 1.977 10 0 ADAELP C[C@H]1CCC[N@H+](CC(N)=[NH2+])[C@@H]1C 50565059 343284218 /nfs/dbraw/zinc/28/42/18/343284218.db2.gz GNAPZVZQSOTQBR-JGVFFNPUSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H]1CCC[N@@H+](CC(N)=[NH2+])[C@@H]1C 50565059 343284220 /nfs/dbraw/zinc/28/42/20/343284220.db2.gz GNAPZVZQSOTQBR-JGVFFNPUSA-N 2 2 169.272 1.043 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1C 50564320 343284249 /nfs/dbraw/zinc/28/42/49/343284249.db2.gz MFJFDBSYTJHYAV-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C 50564320 343284250 /nfs/dbraw/zinc/28/42/50/343284250.db2.gz MFJFDBSYTJHYAV-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CCC[N@H+](CC(N)=[NH2+])[C@@H]1C 50565058 343284332 /nfs/dbraw/zinc/28/43/32/343284332.db2.gz GNAPZVZQSOTQBR-HTQZYQBOSA-N 2 2 169.272 1.043 10 0 ADAELP Cc1cc([C@H](C[NH3+])[NH+](C)C)ccc1F 50545884 343284399 /nfs/dbraw/zinc/28/43/99/343284399.db2.gz DKNFRUVWGFPIHG-NSHDSACASA-N 2 2 196.269 1.696 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 50564404 343284416 /nfs/dbraw/zinc/28/44/16/343284416.db2.gz PORPPFLWVQZUOQ-WISYIIOYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 50564404 343284417 /nfs/dbraw/zinc/28/44/17/343284417.db2.gz PORPPFLWVQZUOQ-WISYIIOYSA-N 2 2 196.338 1.987 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](C)[C@@H]1C 50564250 343284430 /nfs/dbraw/zinc/28/44/30/343284430.db2.gz DFBMHIIQBIKOFB-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cc([C@@H](C[NH3+])[NH+](C)C)ccc1F 50545883 343284544 /nfs/dbraw/zinc/28/45/44/343284544.db2.gz DKNFRUVWGFPIHG-LLVKDONJSA-N 2 2 196.269 1.696 10 0 ADAELP Cc1cc(F)ccc1[C@H](C[NH3+])[NH+](C)C 50578255 343284759 /nfs/dbraw/zinc/28/47/59/343284759.db2.gz ZOLJIGLQIBGWGA-NSHDSACASA-N 2 2 196.269 1.696 10 0 ADAELP C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])[C@@H]1C 50566842 343284999 /nfs/dbraw/zinc/28/49/99/343284999.db2.gz WLOWKUVEJXYGPJ-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])[C@@H]1C 50566842 343285001 /nfs/dbraw/zinc/28/50/01/343285001.db2.gz WLOWKUVEJXYGPJ-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH3+] 50585124 343285364 /nfs/dbraw/zinc/28/53/64/343285364.db2.gz XFGAYMPMQTZECK-UHFFFAOYSA-N 2 2 187.246 1.639 10 0 ADAELP Cc1[nH+]ccn1Cc1ccc(N)[nH+]c1 50818391 343286106 /nfs/dbraw/zinc/28/61/06/343286106.db2.gz XMTUNGQKOAENEV-UHFFFAOYSA-N 2 2 188.234 1.217 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH+]1Cc2ccccc2C1 50910810 343286627 /nfs/dbraw/zinc/28/66/27/343286627.db2.gz UPEPMMUMXQYDIW-VHSXEESVSA-N 2 2 190.290 1.738 10 0 ADAELP CC[C@H]([NH3+])C[NH+]1Cc2ccccc2C1 50910802 343286642 /nfs/dbraw/zinc/28/66/42/343286642.db2.gz MJJGPJULQVDQPR-LBPRGKRZSA-N 2 2 190.290 1.740 10 0 ADAELP Cc1ccc[nH+]c1NCC[NH+](C)C 51040838 343288101 /nfs/dbraw/zinc/28/81/01/343288101.db2.gz RLXRKMOXZBZMDC-UHFFFAOYSA-N 2 2 179.267 1.364 10 0 ADAELP Cc1ccc[nH+]c1NC[C@@H](C)[NH+](C)C 51041009 343288140 /nfs/dbraw/zinc/28/81/40/343288140.db2.gz KASKCTBUEJHXKY-SNVBAGLBSA-N 2 2 193.294 1.752 10 0 ADAELP Cc1ccc[nH+]c1N[C@@H]1CC[N@@H+](C)C1 51041067 343288273 /nfs/dbraw/zinc/28/82/73/343288273.db2.gz MXTMHMFWQWWWEE-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP Cc1ccc[nH+]c1N[C@@H]1CC[N@H+](C)C1 51041067 343288274 /nfs/dbraw/zinc/28/82/74/343288274.db2.gz MXTMHMFWQWWWEE-SNVBAGLBSA-N 2 2 191.278 1.506 10 0 ADAELP CC(C)[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51357114 343290078 /nfs/dbraw/zinc/29/00/78/343290078.db2.gz LTQBUTVRZPYPEU-QWRGUYRKSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51357114 343290080 /nfs/dbraw/zinc/29/00/80/343290080.db2.gz LTQBUTVRZPYPEU-QWRGUYRKSA-N 2 2 182.311 1.611 10 0 ADAELP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51357140 343290094 /nfs/dbraw/zinc/29/00/94/343290094.db2.gz RTSOUNPWMWHHGO-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51357140 343290095 /nfs/dbraw/zinc/29/00/95/343290095.db2.gz RTSOUNPWMWHHGO-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CCN(c2cc[nH+]c(C[NH3+])c2)C1 51397179 343290150 /nfs/dbraw/zinc/29/01/50/343290150.db2.gz FKEKEPJFRZTADY-VIFPVBQESA-N 2 2 191.278 1.387 10 0 ADAELP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51357142 343290175 /nfs/dbraw/zinc/29/01/75/343290175.db2.gz RTSOUNPWMWHHGO-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51357142 343290176 /nfs/dbraw/zinc/29/01/76/343290176.db2.gz RTSOUNPWMWHHGO-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP Cc1ccc(C[NH3+])c(-n2cc[nH+]c2)c1 51580174 343290274 /nfs/dbraw/zinc/29/02/74/343290274.db2.gz WLINWDHQPNHXKV-UHFFFAOYSA-N 2 2 187.246 1.639 10 0 ADAELP C[C@@H]1CC[N@H+](CC(N)=[NH2+])[C@H](C)C1 51732462 343292472 /nfs/dbraw/zinc/29/24/72/343292472.db2.gz NUULYVHPZYFWOF-HTQZYQBOSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@@H]1CC[N@@H+](CC(N)=[NH2+])[C@H](C)C1 51732462 343292475 /nfs/dbraw/zinc/29/24/75/343292475.db2.gz NUULYVHPZYFWOF-HTQZYQBOSA-N 2 2 169.272 1.043 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@@H]1C 51730908 343292566 /nfs/dbraw/zinc/29/25/66/343292566.db2.gz HQCXFWSWXMURTD-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@@H]1C 51730908 343292567 /nfs/dbraw/zinc/29/25/67/343292567.db2.gz HQCXFWSWXMURTD-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@H](C)C1 51732087 343292623 /nfs/dbraw/zinc/29/26/23/343292623.db2.gz NJNLQPWRYMMOAS-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@H](C)C1 51732087 343292626 /nfs/dbraw/zinc/29/26/26/343292626.db2.gz NJNLQPWRYMMOAS-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@@H](C)C[C@H]1C 51732490 343292722 /nfs/dbraw/zinc/29/27/22/343292722.db2.gz YIPNEXDVUQRSEZ-HLTSFMKQSA-N 2 2 183.299 1.431 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CC[C@@H](C)C[C@H]1C 51732490 343292724 /nfs/dbraw/zinc/29/27/24/343292724.db2.gz YIPNEXDVUQRSEZ-HLTSFMKQSA-N 2 2 183.299 1.431 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@H](C)C1 51732085 343292821 /nfs/dbraw/zinc/29/28/21/343292821.db2.gz NJNLQPWRYMMOAS-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@H](C)C1 51732085 343292823 /nfs/dbraw/zinc/29/28/23/343292823.db2.gz NJNLQPWRYMMOAS-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H](C)C1 51746785 343292881 /nfs/dbraw/zinc/29/28/81/343292881.db2.gz OIPXGATZEWTWCX-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H](C)C1 51746785 343292883 /nfs/dbraw/zinc/29/28/83/343292883.db2.gz OIPXGATZEWTWCX-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CC[N@H+](CC(N)=[NH2+])[C@H](C)C1 51732464 343292887 /nfs/dbraw/zinc/29/28/87/343292887.db2.gz NUULYVHPZYFWOF-JGVFFNPUSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H]1CC[N@@H+](CC(N)=[NH2+])[C@H](C)C1 51732464 343292888 /nfs/dbraw/zinc/29/28/88/343292888.db2.gz NUULYVHPZYFWOF-JGVFFNPUSA-N 2 2 169.272 1.043 10 0 ADAELP CC[C@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C1 51783140 343293062 /nfs/dbraw/zinc/29/30/62/343293062.db2.gz RFNGOJBXEZMVJI-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C1 51783140 343293063 /nfs/dbraw/zinc/29/30/63/343293063.db2.gz RFNGOJBXEZMVJI-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP CC(C)c1[nH+]ccn1[C@@H]1CC[NH2+]C1 51783690 343293608 /nfs/dbraw/zinc/29/36/08/343293608.db2.gz JTBLWAZZMAGDDB-SECBINFHSA-N 2 2 179.267 1.541 10 0 ADAELP Cc1[nH+]cn(-c2cc[nH+]cc2N)c1C 51925490 343295894 /nfs/dbraw/zinc/29/58/94/343295894.db2.gz XZCIAKUORRXKCC-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP Cc1[nH+]cn([C@@H]2CC[NH2+]C2)c1C 51927074 343296081 /nfs/dbraw/zinc/29/60/81/343296081.db2.gz JNHUIAOYEOXZNE-SECBINFHSA-N 2 2 165.240 1.034 10 0 ADAELP Cc1[nH+]cn([C@H]2CC[NH2+]C2)c1C 51927075 343296103 /nfs/dbraw/zinc/29/61/03/343296103.db2.gz JNHUIAOYEOXZNE-VIFPVBQESA-N 2 2 165.240 1.034 10 0 ADAELP Cc1[nH+]cn(-c2ccc(N)[nH+]c2)c1C 51925489 343296165 /nfs/dbraw/zinc/29/61/65/343296165.db2.gz MHNKXGMUISKWGT-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP Cc1[nH+]cn(-c2cc(N)cc[nH+]2)c1C 51925505 343296210 /nfs/dbraw/zinc/29/62/10/343296210.db2.gz DBBGGJZYZQZJMH-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[NH+]2CCC1CC2 52272749 343303392 /nfs/dbraw/zinc/30/33/92/343303392.db2.gz KYWKQUCVCZXYGL-FBIMIBRVSA-N 2 2 180.295 1.079 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C)C1 52275587 343303859 /nfs/dbraw/zinc/30/38/59/343303859.db2.gz OEMHCVBRFLSRJX-GMTAPVOTSA-N 2 2 182.311 1.467 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C)C1 52275587 343303861 /nfs/dbraw/zinc/30/38/61/343303861.db2.gz OEMHCVBRFLSRJX-GMTAPVOTSA-N 2 2 182.311 1.467 10 0 ADAELP CC[C@H](c1ccco1)[N@@H+]1CC[C@H]([NH3+])C1 54106739 343317719 /nfs/dbraw/zinc/31/77/19/343317719.db2.gz GLGRQKYHEYRGHX-VHSXEESVSA-N 2 2 194.278 1.764 10 0 ADAELP CC[C@H](c1ccco1)[N@H+]1CC[C@H]([NH3+])C1 54106739 343317722 /nfs/dbraw/zinc/31/77/22/343317722.db2.gz GLGRQKYHEYRGHX-VHSXEESVSA-N 2 2 194.278 1.764 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1CCCC[NH2+]C1 54134992 343317815 /nfs/dbraw/zinc/31/78/15/343317815.db2.gz SKFRCEDTPWDOSM-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54134992 343317817 /nfs/dbraw/zinc/31/78/17/343317817.db2.gz SKFRCEDTPWDOSM-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@H+](C1CC1)[C@H]1CCCC[NH2+]C1 54134976 343317883 /nfs/dbraw/zinc/31/78/83/343317883.db2.gz QDEMEGFTAYCRED-JTQLQIEISA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H](C1CCCC1)[N@@H+]1CCC[C@H]([NH3+])C1 54082021 343317902 /nfs/dbraw/zinc/31/79/02/343317902.db2.gz RRNNVBFXULFGLS-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H](C1CCCC1)[N@H+]1CCC[C@H]([NH3+])C1 54082021 343317904 /nfs/dbraw/zinc/31/79/04/343317904.db2.gz RRNNVBFXULFGLS-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@H+](C1CC1)[C@@H]1CCCC[NH2+]C1 54134975 343317939 /nfs/dbraw/zinc/31/79/39/343317939.db2.gz QDEMEGFTAYCRED-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+](C1CC1)[C@@H]1CCCC[NH2+]C1 54134975 343317941 /nfs/dbraw/zinc/31/79/41/343317941.db2.gz QDEMEGFTAYCRED-SNVBAGLBSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C 54243933 343320913 /nfs/dbraw/zinc/32/09/13/343320913.db2.gz RYVXOBSTCCDJOX-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C 54243933 343320915 /nfs/dbraw/zinc/32/09/15/343320915.db2.gz RYVXOBSTCCDJOX-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+](CC[NH3+])[C@H]1CCc2ccccc21 54416759 343323677 /nfs/dbraw/zinc/32/36/77/343323677.db2.gz SXNJORVZSXWHPV-LBPRGKRZSA-N 2 2 190.290 1.564 10 0 ADAELP C[N@@H+](CC[NH3+])[C@H]1CCc2ccccc21 54416759 343323679 /nfs/dbraw/zinc/32/36/79/343323679.db2.gz SXNJORVZSXWHPV-LBPRGKRZSA-N 2 2 190.290 1.564 10 0 ADAELP C[N@H+](CC[NH3+])[C@@H]1CCc2ccccc21 54416758 343323737 /nfs/dbraw/zinc/32/37/37/343323737.db2.gz SXNJORVZSXWHPV-GFCCVEGCSA-N 2 2 190.290 1.564 10 0 ADAELP C[N@@H+](CC[NH3+])[C@@H]1CCc2ccccc21 54416758 343323738 /nfs/dbraw/zinc/32/37/38/343323738.db2.gz SXNJORVZSXWHPV-GFCCVEGCSA-N 2 2 190.290 1.564 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[NH2+][C@@H](C)CC1 54490903 343324991 /nfs/dbraw/zinc/32/49/91/343324991.db2.gz TXSKPLAIVIJRIZ-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[NH2+][C@@H](C)CC1 54490903 343324993 /nfs/dbraw/zinc/32/49/93/343324993.db2.gz TXSKPLAIVIJRIZ-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1[nH]c(C[NH2+]C2CCCC2)c[nH+]1 54797717 343329199 /nfs/dbraw/zinc/32/91/99/343329199.db2.gz QKUYNGDGUZXDFN-UHFFFAOYSA-N 2 2 179.267 1.750 10 0 ADAELP Cc1[nH]c(C[NH2+]C(C)C)c[nH+]1 54797704 343329297 /nfs/dbraw/zinc/32/92/97/343329297.db2.gz XLQUXKGXOVJIED-UHFFFAOYSA-N 2 2 153.229 1.216 10 0 ADAELP CC(C)c1[nH+]ccn1C1C[NH2+]C1 54931654 343331562 /nfs/dbraw/zinc/33/15/62/343331562.db2.gz POMQFADFYKOPKQ-UHFFFAOYSA-N 2 2 165.240 1.151 10 0 ADAELP C[C@H]1CCCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 59184367 343342421 /nfs/dbraw/zinc/34/24/21/343342421.db2.gz XXRBDYAAWLMAAC-YUMQZZPRSA-N 2 2 169.272 1.185 10 0 ADAELP CC1CC[NH+]([C@H](C)C(N)=[NH2+])CC1 59184364 343342451 /nfs/dbraw/zinc/34/24/51/343342451.db2.gz UJHJKXFJBVSOIU-MRVPVSSYSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCC[C@H]1C 59184365 343342618 /nfs/dbraw/zinc/34/26/18/343342618.db2.gz XXRBDYAAWLMAAC-SFYZADRCSA-N 2 2 169.272 1.185 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCCC[C@H]1C 59184365 343342621 /nfs/dbraw/zinc/34/26/21/343342621.db2.gz XXRBDYAAWLMAAC-SFYZADRCSA-N 2 2 169.272 1.185 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 59184371 343342645 /nfs/dbraw/zinc/34/26/45/343342645.db2.gz TZIHYWBOHBVEAG-YUMQZZPRSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])C1 59184371 343342647 /nfs/dbraw/zinc/34/26/47/343342647.db2.gz TZIHYWBOHBVEAG-YUMQZZPRSA-N 2 2 169.272 1.043 10 0 ADAELP CC1CC[NH+]([C@@H](C)C(N)=[NH2+])CC1 59184362 343342653 /nfs/dbraw/zinc/34/26/53/343342653.db2.gz UJHJKXFJBVSOIU-QMMMGPOBSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H](C)C1 59184369 343342701 /nfs/dbraw/zinc/34/27/01/343342701.db2.gz TZIHYWBOHBVEAG-SFYZADRCSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@@H](C)C1 59184369 343342704 /nfs/dbraw/zinc/34/27/04/343342704.db2.gz TZIHYWBOHBVEAG-SFYZADRCSA-N 2 2 169.272 1.043 10 0 ADAELP CC(C)(C[NH3+])CNc1cccc[nH+]1 60004150 343349577 /nfs/dbraw/zinc/34/95/77/343349577.db2.gz CNPJUQKNLJQSCZ-UHFFFAOYSA-N 2 2 179.267 1.478 10 0 ADAELP C[C@@H]1CC[C@@H](Cn2cc[nH+]c2)C[NH2+]1 60251123 343352496 /nfs/dbraw/zinc/35/24/96/343352496.db2.gz RNCHLYJRISWAAX-NXEZZACHSA-N 2 2 179.267 1.271 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H](n2cc[nH+]c2)C1 60250585 343352537 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/nfs/dbraw/zinc/36/44/11/343364411.db2.gz YHJQRJBNVZAAKQ-QMMMGPOBSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@H](C(N)=[NH2+])[NH+]1CCC(C)(C)CC1 61820342 343364659 /nfs/dbraw/zinc/36/46/59/343364659.db2.gz YHJQRJBNVZAAKQ-MRVPVSSYSA-N 2 2 183.299 1.433 10 0 ADAELP CC1(C)CC[NH+](CC(N)=[NH2+])CC1 61820326 343364677 /nfs/dbraw/zinc/36/46/77/343364677.db2.gz ZSSVPBLKEGVRBO-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP Cc1cc(C)c2[nH]c(CC[NH3+])[nH+]c2c1 62152819 343372434 /nfs/dbraw/zinc/37/24/34/343372434.db2.gz FJDBCCMFPZKXFE-UHFFFAOYSA-N 2 2 189.262 1.681 10 0 ADAELP CCc1[nH]c2cc(C[NH3+])ccc2[nH+]1 62213974 343372838 /nfs/dbraw/zinc/37/28/38/343372838.db2.gz LVAVATTYKUQWOE-UHFFFAOYSA-N 2 2 175.235 1.584 10 0 ADAELP CCc1[nH+]c2cc(C[NH3+])ccc2n1C 62213975 343372886 /nfs/dbraw/zinc/37/28/86/343372886.db2.gz YMNPSIXXJAWZSK-UHFFFAOYSA-N 2 2 189.262 1.594 10 0 ADAELP CCC[N@@H+]1CCC[NH2+]C[C@@H]1C 62566349 343375139 /nfs/dbraw/zinc/37/51/39/343375139.db2.gz PYICPNTXWYRJOT-VIFPVBQESA-N 2 2 156.273 1.080 10 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TVYJQGJYDREINO-SNVBAGLBSA-N 2 2 170.300 1.470 10 0 ADAELP CC(C)[N@@H+]1CCC[NH2+][C@H](C)C1 62566365 343375253 /nfs/dbraw/zinc/37/52/53/343375253.db2.gz UYXLKXGHHBSOMG-SECBINFHSA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[N@H+]1CCC[NH2+][C@H](C)C1 62566365 343375256 /nfs/dbraw/zinc/37/52/56/343375256.db2.gz UYXLKXGHHBSOMG-SECBINFHSA-N 2 2 156.273 1.079 10 0 ADAELP CCCC[N@@H+]1CCC[NH2+][C@@H](C)C1 62566615 343375309 /nfs/dbraw/zinc/37/53/09/343375309.db2.gz TVYJQGJYDREINO-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCCC[N@H+]1CCC[NH2+][C@@H](C)C1 62566615 343375311 /nfs/dbraw/zinc/37/53/11/343375311.db2.gz TVYJQGJYDREINO-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH2+]C[C@@H]1C 62566596 343375321 /nfs/dbraw/zinc/37/53/21/343375321.db2.gz QPNHEXXKQKXMJZ-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH2+]C[C@@H]1C 62566596 343375323 /nfs/dbraw/zinc/37/53/23/343375323.db2.gz QPNHEXXKQKXMJZ-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP 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CC(C)[N@@H+]1CCC[NH2+][C@@H](C)C1 62566367 343375624 /nfs/dbraw/zinc/37/56/24/343375624.db2.gz UYXLKXGHHBSOMG-VIFPVBQESA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[N@H+]1CCC[NH2+][C@@H](C)C1 62566367 343375626 /nfs/dbraw/zinc/37/56/26/343375626.db2.gz UYXLKXGHHBSOMG-VIFPVBQESA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[N@@H+]1CC[NH2+]CC[C@@H]1C 62566379 343375637 /nfs/dbraw/zinc/37/56/37/343375637.db2.gz RZCKHOANYGWPHP-VIFPVBQESA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[N@H+]1CC[NH2+]CC[C@@H]1C 62566379 343375640 /nfs/dbraw/zinc/37/56/40/343375640.db2.gz RZCKHOANYGWPHP-VIFPVBQESA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[N@@H+]1CCC[NH2+]C(C)(C)C1 62566624 343375698 /nfs/dbraw/zinc/37/56/98/343375698.db2.gz MBVXHMGPUAPMQS-UHFFFAOYSA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)[N@H+]1CCC[NH2+]C(C)(C)C1 62566624 343375699 /nfs/dbraw/zinc/37/56/99/343375699.db2.gz MBVXHMGPUAPMQS-UHFFFAOYSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@H+]1CCC[NH2+]C[C@H]1C 62566351 343375757 /nfs/dbraw/zinc/37/57/57/343375757.db2.gz PYICPNTXWYRJOT-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CCCC[N@@H+]1CC[NH2+]CC[C@@H]1C 62566643 343375706 /nfs/dbraw/zinc/37/57/06/343375706.db2.gz ZISJXYJXBZPSJL-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCCC[N@H+]1CC[NH2+]CC[C@@H]1C 62566643 343375708 /nfs/dbraw/zinc/37/57/08/343375708.db2.gz ZISJXYJXBZPSJL-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@@H](C)C1 62566363 343375727 /nfs/dbraw/zinc/37/57/27/343375727.db2.gz RXVMHFVUSWHHIS-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@@H](C)C1 62566363 343375729 /nfs/dbraw/zinc/37/57/29/343375729.db2.gz RXVMHFVUSWHHIS-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP CCC[N@@H+]1CCC[NH2+]C[C@H]1C 62566351 343375756 /nfs/dbraw/zinc/37/57/56/343375756.db2.gz PYICPNTXWYRJOT-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)[N@@H+]1CC[NH2+]CC[C@H]1C 62566376 343375764 /nfs/dbraw/zinc/37/57/64/343375764.db2.gz RZCKHOANYGWPHP-SECBINFHSA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[N@H+]1CC[NH2+]CC[C@H]1C 62566376 343375765 /nfs/dbraw/zinc/37/57/65/343375765.db2.gz RZCKHOANYGWPHP-SECBINFHSA-N 2 2 156.273 1.079 10 0 ADAELP CC(C)[C@H]1C[N@@H+](C(C)C)CCC[NH2+]1 62567189 343376082 /nfs/dbraw/zinc/37/60/82/343376082.db2.gz JQLOXALVNUOTSZ-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H]1C[N@H+](C(C)C)CCC[NH2+]1 62567189 343376084 /nfs/dbraw/zinc/37/60/84/343376084.db2.gz JQLOXALVNUOTSZ-LLVKDONJSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@@H+]1C1CCCC1 62566930 343376169 /nfs/dbraw/zinc/37/61/69/343376169.db2.gz SJLUIQLWVXLXTB-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@H+]1C1CCCC1 62566930 343376170 /nfs/dbraw/zinc/37/61/70/343376170.db2.gz SJLUIQLWVXLXTB-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1C[NH2+]CCC[N@@H+]1C1CCCC1 62566923 343376210 /nfs/dbraw/zinc/37/62/10/343376210.db2.gz ZBJDIQSHADRVPS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1C[N@@H+](C2CCCC2)CCC[NH2+]1 62566926 343376343 /nfs/dbraw/zinc/37/63/43/343376343.db2.gz PVHNCQDBFHNKSS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@H](C(C)C)C1 62567184 343376310 /nfs/dbraw/zinc/37/63/10/343376310.db2.gz MKFMRBQXHKUXSN-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@H](C(C)C)C1 62567184 343376313 /nfs/dbraw/zinc/37/63/13/343376313.db2.gz MKFMRBQXHKUXSN-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[C@H]1C[N@H+](C2CCCC2)CCC[NH2+]1 62566926 343376346 /nfs/dbraw/zinc/37/63/46/343376346.db2.gz PVHNCQDBFHNKSS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 62567186 343376403 /nfs/dbraw/zinc/37/64/03/343376403.db2.gz MKFMRBQXHKUXSN-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 62567186 343376405 /nfs/dbraw/zinc/37/64/05/343376405.db2.gz MKFMRBQXHKUXSN-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH2+]C(C)(C)C1 62567183 343376465 /nfs/dbraw/zinc/37/64/65/343376465.db2.gz VIDYWYCTCYNLLZ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH2+]C(C)(C)C1 62567183 343376468 /nfs/dbraw/zinc/37/64/68/343376468.db2.gz VIDYWYCTCYNLLZ-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]([NH3+])Cc1[nH+]ccn1C(F)F 62802931 343380472 /nfs/dbraw/zinc/38/04/72/343380472.db2.gz PTCSLBCSIJKPSL-YFKPBYRVSA-N 2 2 175.182 1.168 10 0 ADAELP C[C@@H]([NH3+])Cc1[nH+]ccn1C(F)F 62802932 343380655 /nfs/dbraw/zinc/38/06/55/343380655.db2.gz PTCSLBCSIJKPSL-RXMQYKEDSA-N 2 2 175.182 1.168 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C2CC2)[nH]1 62820893 343382500 /nfs/dbraw/zinc/38/25/00/343382500.db2.gz HIGORGMCXDJNRZ-UHFFFAOYSA-N 2 2 151.213 1.007 10 0 ADAELP C[NH2+]Cc1c[nH+]c(N2CCCCC2)[nH]1 62820953 343382628 /nfs/dbraw/zinc/38/26/28/343382628.db2.gz RTKZRUVSPXQOTQ-UHFFFAOYSA-N 2 2 194.282 1.119 10 0 ADAELP C[NH2+]Cc1c[nH+]c(C(C)(C)C)[nH]1 62820926 343382650 /nfs/dbraw/zinc/38/26/50/343382650.db2.gz UHFZXSMWSLBYRN-UHFFFAOYSA-N 2 2 167.256 1.427 10 0 ADAELP [NH3+]Cc1c[nH+]c(N2CCCCCC2)[nH]1 62820834 343382724 /nfs/dbraw/zinc/38/27/24/343382724.db2.gz JXVQGYNVAVILGF-UHFFFAOYSA-N 2 2 194.282 1.249 10 0 ADAELP CC(C)Cc1[nH]c(C[NH3+])c[nH+]1 62820796 343382898 /nfs/dbraw/zinc/38/28/98/343382898.db2.gz DGNFZSKJPIJGAG-UHFFFAOYSA-N 2 2 153.229 1.067 10 0 ADAELP Cc1ccc(N2CCC[C@H]([NH3+])C2)c[nH+]1 62948427 343387088 /nfs/dbraw/zinc/38/70/88/343387088.db2.gz NJEINQVKHVBSGP-JTQLQIEISA-N 2 2 191.278 1.318 10 0 ADAELP Cc1ccc(N2CC[C@H](C[NH3+])C2)c[nH+]1 62948419 343387097 /nfs/dbraw/zinc/38/70/97/343387097.db2.gz PCYFILXWNBFNDL-SNVBAGLBSA-N 2 2 191.278 1.175 10 0 ADAELP Cc1ccc(N2CCC[C@@H]([NH3+])C2)c[nH+]1 62948428 343387161 /nfs/dbraw/zinc/38/71/61/343387161.db2.gz NJEINQVKHVBSGP-SNVBAGLBSA-N 2 2 191.278 1.318 10 0 ADAELP Cc1ccc(N2CC[C@@H](C[NH3+])C2)c[nH+]1 62948420 343387307 /nfs/dbraw/zinc/38/73/07/343387307.db2.gz PCYFILXWNBFNDL-JTQLQIEISA-N 2 2 191.278 1.175 10 0 ADAELP C[C@H]1CC[C@@H](n2cc[nH+]c2)C[NH2+]1 62949137 343387568 /nfs/dbraw/zinc/38/75/68/343387568.db2.gz SFUDPOZFBLTTLW-DTWKUNHWSA-N 2 2 165.240 1.196 10 0 ADAELP C[C@@H]1CC[C@H](n2cc[nH+]c2)C[NH2+]1 62949134 343387607 /nfs/dbraw/zinc/38/76/07/343387607.db2.gz SFUDPOZFBLTTLW-BDAKNGLRSA-N 2 2 165.240 1.196 10 0 ADAELP C[C@@H]1CC[C@@H](n2cc[nH+]c2)C[NH2+]1 62949136 343387654 /nfs/dbraw/zinc/38/76/54/343387654.db2.gz SFUDPOZFBLTTLW-RKDXNWHRSA-N 2 2 165.240 1.196 10 0 ADAELP C[C@H]1CC[C@H](n2cc[nH+]c2)C[NH2+]1 62949135 343387711 /nfs/dbraw/zinc/38/77/11/343387711.db2.gz SFUDPOZFBLTTLW-IUCAKERBSA-N 2 2 165.240 1.196 10 0 ADAELP C[NH2+]CC[NH+]1CCC2(CCCC2)CC1 62953626 343388153 /nfs/dbraw/zinc/38/81/53/343388153.db2.gz IIESQYVLKRYONY-UHFFFAOYSA-N 2 2 196.338 1.862 10 0 ADAELP NC(=[NH2+])C[NH+]1CCC2(CCCC2)CC1 62954368 343388162 /nfs/dbraw/zinc/38/81/62/343388162.db2.gz ICYATXMXXXWYNX-UHFFFAOYSA-N 2 2 195.310 1.579 10 0 ADAELP CCC1(C)CC[NH+]([C@@H](C)C(N)=[NH2+])CC1 62954340 343388217 /nfs/dbraw/zinc/38/82/17/343388217.db2.gz YWOCERGQAGZEGD-VIFPVBQESA-N 2 2 197.326 1.823 10 0 ADAELP CCC1(C)CC[NH+](CC(N)=[NH2+])CC1 62954325 343388279 /nfs/dbraw/zinc/38/82/79/343388279.db2.gz ACJJWIFHMWZLCQ-UHFFFAOYSA-N 2 2 183.299 1.434 10 0 ADAELP CC(=[NH2+])N1CC[NH+](C(C)C)CC1 62987198 343390204 /nfs/dbraw/zinc/39/02/04/343390204.db2.gz DDAOAGSNBUKIRM-UHFFFAOYSA-N 2 2 169.272 1.010 10 0 ADAELP CC(=[NH2+])N1CC[NH+](CC2CC2)CC1 62987603 343391228 /nfs/dbraw/zinc/39/12/28/343391228.db2.gz BBRDJAFCHGWINM-UHFFFAOYSA-N 2 2 181.283 1.011 10 0 ADAELP CC[NH+]1CCN(C(=[NH2+])C(C)C)CC1 62989570 343392543 /nfs/dbraw/zinc/39/25/43/343392543.db2.gz LRUVMBCMZVKHHO-UHFFFAOYSA-N 2 2 183.299 1.257 10 0 ADAELP CC[NH+]1CCN(C(=[NH2+])C(C)(C)C)CC1 62989572 343392624 /nfs/dbraw/zinc/39/26/24/343392624.db2.gz RBYBXTJPKNXVAQ-UHFFFAOYSA-N 2 2 197.326 1.647 10 0 ADAELP CCCC(=[NH2+])N1CC[NH+](C)CC1 62989664 343392921 /nfs/dbraw/zinc/39/29/21/343392921.db2.gz OHUAANNZBDTICC-UHFFFAOYSA-N 2 2 169.272 1.011 10 0 ADAELP CC(C)C(=[NH2+])N1CC[NH+](C(C)C)CC1 62990614 343393657 /nfs/dbraw/zinc/39/36/57/343393657.db2.gz ITFYQYKFTJZMGM-UHFFFAOYSA-N 2 2 197.326 1.646 10 0 ADAELP CCC(=[NH2+])N1CC[NH+](C(C)C)CC1 62990612 343393719 /nfs/dbraw/zinc/39/37/19/343393719.db2.gz KPIFDZSYUHRWJE-UHFFFAOYSA-N 2 2 183.299 1.400 10 0 ADAELP CC(C)[NH+]1CCN(C(=[NH2+])C2CC2)CC1 62990615 343393734 /nfs/dbraw/zinc/39/37/34/343393734.db2.gz XTBAIXHIQQSKRQ-UHFFFAOYSA-N 2 2 195.310 1.400 10 0 ADAELP CCC(=[NH2+])N1CC[NH+](C(C)(C)C)CC1 62993456 343395143 /nfs/dbraw/zinc/39/51/43/343395143.db2.gz YMYJCCKAAYDPHV-UHFFFAOYSA-N 2 2 197.326 1.790 10 0 ADAELP CC(C)CC(=[NH2+])N1CC[NH+](C)CC1 62995626 343396277 /nfs/dbraw/zinc/39/62/77/343396277.db2.gz VWUPDTYUUKCLLT-UHFFFAOYSA-N 2 2 183.299 1.257 10 0 ADAELP CCc1cc(NC(C)(C)C[NH3+])nc[nH+]1 63020741 343396907 /nfs/dbraw/zinc/39/69/07/343396907.db2.gz DCWBDECOQUKEJB-UHFFFAOYSA-N 2 2 194.282 1.188 10 0 ADAELP Cc1cc[nH+]c(NC(C)(C)C[NH3+])c1 63020769 343397008 /nfs/dbraw/zinc/39/70/08/343397008.db2.gz JENIMDLZMRFQOH-UHFFFAOYSA-N 2 2 179.267 1.539 10 0 ADAELP CCn1cc[nH+]c1[C@H](C)[C@@H](C)[NH3+] 63029097 343397252 /nfs/dbraw/zinc/39/72/52/343397252.db2.gz HFIQFMWVEJSZGG-HTQZYQBOSA-N 2 2 167.256 1.354 10 0 ADAELP CCn1cc[nH+]c1[C@@H](C)[C@@H](C)[NH3+] 63029096 343397337 /nfs/dbraw/zinc/39/73/37/343397337.db2.gz HFIQFMWVEJSZGG-JGVFFNPUSA-N 2 2 167.256 1.354 10 0 ADAELP CCn1cc[nH+]c1[C@H](C)[C@H](C)[NH3+] 63029099 343397414 /nfs/dbraw/zinc/39/74/14/343397414.db2.gz HFIQFMWVEJSZGG-SFYZADRCSA-N 2 2 167.256 1.354 10 0 ADAELP CCn1cc[nH+]c1[C@@H](C)[C@H](C)[NH3+] 63029098 343397439 /nfs/dbraw/zinc/39/74/39/343397439.db2.gz HFIQFMWVEJSZGG-YUMQZZPRSA-N 2 2 167.256 1.354 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CCCC1(C)C 63066925 343399501 /nfs/dbraw/zinc/39/95/01/343399501.db2.gz UXQRNZAZNPZZMG-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CCCC1(C)C 63066925 343399503 /nfs/dbraw/zinc/39/95/03/343399503.db2.gz UXQRNZAZNPZZMG-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCCC1(C)C 63066546 343399533 /nfs/dbraw/zinc/39/95/33/343399533.db2.gz PYBIHIQQNAANMM-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+]1CCCC1(C)C 63066546 343399535 /nfs/dbraw/zinc/39/95/35/343399535.db2.gz PYBIHIQQNAANMM-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC1(C)CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 63067281 343399552 /nfs/dbraw/zinc/39/95/52/343399552.db2.gz LXHMRXZRBQNSIS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CCC[N@H+]1C[C@@H]1CCC[NH2+]1 63067281 343399553 /nfs/dbraw/zinc/39/95/53/343399553.db2.gz LXHMRXZRBQNSIS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCC1(C)C 63066545 343399620 /nfs/dbraw/zinc/39/96/20/343399620.db2.gz PYBIHIQQNAANMM-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCCC1(C)C 63066545 343399621 /nfs/dbraw/zinc/39/96/21/343399621.db2.gz PYBIHIQQNAANMM-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 63066610 343399647 /nfs/dbraw/zinc/39/96/47/343399647.db2.gz DBRCMRKNXBIRMI-VHSXEESVSA-N 2 2 182.311 1.741 10 0 ADAELP CC1(C)CCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 63066610 343399648 /nfs/dbraw/zinc/39/96/48/343399648.db2.gz DBRCMRKNXBIRMI-VHSXEESVSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCC1(C)C 63066944 343399666 /nfs/dbraw/zinc/39/96/66/343399666.db2.gz NKLKVJNILKLKHZ-DTWKUNHWSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCC1(C)C 63066944 343399668 /nfs/dbraw/zinc/39/96/68/343399668.db2.gz NKLKVJNILKLKHZ-DTWKUNHWSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCCC1(C)C 63066924 343399694 /nfs/dbraw/zinc/39/96/94/343399694.db2.gz UXQRNZAZNPZZMG-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCCC1(C)C 63066924 343399696 /nfs/dbraw/zinc/39/96/96/343399696.db2.gz UXQRNZAZNPZZMG-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCCC1(C)C 63066945 343399711 /nfs/dbraw/zinc/39/97/11/343399711.db2.gz NKLKVJNILKLKHZ-RKDXNWHRSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCCC1(C)C 63066945 343399712 /nfs/dbraw/zinc/39/97/12/343399712.db2.gz NKLKVJNILKLKHZ-RKDXNWHRSA-N 2 2 170.300 1.597 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCCC1(C)C 63066877 343399761 /nfs/dbraw/zinc/39/97/61/343399761.db2.gz CWNNHCWHJMGACG-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+]1CCCC1(C)C 63066877 343399763 /nfs/dbraw/zinc/39/97/63/343399763.db2.gz CWNNHCWHJMGACG-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@@H+]1CCCC1(C)C 63066876 343399785 /nfs/dbraw/zinc/39/97/85/343399785.db2.gz CWNNHCWHJMGACG-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@@H](C)[N@H+]1CCCC1(C)C 63066876 343399787 /nfs/dbraw/zinc/39/97/87/343399787.db2.gz CWNNHCWHJMGACG-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1CCCC1(C)C 63066879 343399821 /nfs/dbraw/zinc/39/98/21/343399821.db2.gz CWNNHCWHJMGACG-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@@H+]1CCCC1(C)C 63066878 343399872 /nfs/dbraw/zinc/39/98/72/343399872.db2.gz CWNNHCWHJMGACG-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H](C)[C@H](C)[N@H+]1CCCC1(C)C 63066878 343399875 /nfs/dbraw/zinc/39/98/75/343399875.db2.gz CWNNHCWHJMGACG-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC1(C)C 63066547 343399894 /nfs/dbraw/zinc/39/98/94/343399894.db2.gz PYBIHIQQNAANMM-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCCC1(C)C 63066547 343399897 /nfs/dbraw/zinc/39/98/97/343399897.db2.gz PYBIHIQQNAANMM-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+]1CCCC1(C)C 63066548 343399969 /nfs/dbraw/zinc/39/99/69/343399969.db2.gz PYBIHIQQNAANMM-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)[N@H+]1CCCC1(C)C 63066548 343399972 /nfs/dbraw/zinc/39/99/72/343399972.db2.gz PYBIHIQQNAANMM-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCCC1(C)C 63066947 343400000 /nfs/dbraw/zinc/40/00/00/343400000.db2.gz NKLKVJNILKLKHZ-BDAKNGLRSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCCC1(C)C 63066947 343400003 /nfs/dbraw/zinc/40/00/03/343400003.db2.gz NKLKVJNILKLKHZ-BDAKNGLRSA-N 2 2 170.300 1.597 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] 63066611 343400024 /nfs/dbraw/zinc/40/00/24/343400024.db2.gz DBRCMRKNXBIRMI-UWVGGRQHSA-N 2 2 182.311 1.741 10 0 ADAELP CC1(C)CCC[N@H+]1[C@H]1CCC[C@@H]1[NH3+] 63066611 343400027 /nfs/dbraw/zinc/40/00/27/343400027.db2.gz DBRCMRKNXBIRMI-UWVGGRQHSA-N 2 2 182.311 1.741 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@@H]1CC[NH2+]C1 63067291 343400185 /nfs/dbraw/zinc/40/01/85/343400185.db2.gz XNGYWJOBDNASMM-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CCC[N@H+]1[C@@H]1CC[NH2+]C1 63067291 343400188 /nfs/dbraw/zinc/40/01/88/343400188.db2.gz XNGYWJOBDNASMM-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@H]1CC[NH2+]C1 63067292 343400395 /nfs/dbraw/zinc/40/03/95/343400395.db2.gz XNGYWJOBDNASMM-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CCC[N@H+]1[C@H]1CC[NH2+]C1 63067292 343400397 /nfs/dbraw/zinc/40/03/97/343400397.db2.gz XNGYWJOBDNASMM-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@H]1CCC[NH2+]C1 63067304 343400468 /nfs/dbraw/zinc/40/04/68/343400468.db2.gz WMTLARBTAIJWHI-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CCC[N@H+]1[C@H]1CCC[NH2+]C1 63067304 343400472 /nfs/dbraw/zinc/40/04/72/343400472.db2.gz WMTLARBTAIJWHI-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 63067303 343400575 /nfs/dbraw/zinc/40/05/75/343400575.db2.gz WMTLARBTAIJWHI-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CCC[N@H+]1[C@@H]1CCC[NH2+]C1 63067303 343400576 /nfs/dbraw/zinc/40/05/76/343400576.db2.gz WMTLARBTAIJWHI-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CCC[N@H+]1C[C@@](C)([NH3+])C1CC1 63073497 343400909 /nfs/dbraw/zinc/40/09/09/343400909.db2.gz IICKRAOQGWKYER-GFCCVEGCSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CCC[N@@H+]1C[C@@](C)([NH3+])C1CC1 63073497 343400910 /nfs/dbraw/zinc/40/09/10/343400910.db2.gz IICKRAOQGWKYER-GFCCVEGCSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCCC1(C)C 63073482 343400957 /nfs/dbraw/zinc/40/09/57/343400957.db2.gz MBZLBIPGYYTJBN-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCCC1(C)C 63073482 343400959 /nfs/dbraw/zinc/40/09/59/343400959.db2.gz MBZLBIPGYYTJBN-JTQLQIEISA-N 2 2 184.327 1.844 10 0 ADAELP CC1(C)CCC[N@H+]1C[C@](C)([NH3+])C1CC1 63073496 343401047 /nfs/dbraw/zinc/40/10/47/343401047.db2.gz IICKRAOQGWKYER-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CCC[N@@H+]1C[C@](C)([NH3+])C1CC1 63073496 343401050 /nfs/dbraw/zinc/40/10/50/343401050.db2.gz IICKRAOQGWKYER-LBPRGKRZSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)([NH3+])C[N@@H+]1CCCC1(C)C 63073505 343401102 /nfs/dbraw/zinc/40/11/02/343401102.db2.gz UIMKYPJOTSSSHG-UHFFFAOYSA-N 2 2 170.300 1.598 10 0 ADAELP CC(C)([NH3+])C[N@H+]1CCCC1(C)C 63073505 343401103 /nfs/dbraw/zinc/40/11/03/343401103.db2.gz UIMKYPJOTSSSHG-UHFFFAOYSA-N 2 2 170.300 1.598 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+]1CCCC1(C)C 63073398 343401152 /nfs/dbraw/zinc/40/11/52/343401152.db2.gz MYAXHSZVILKLOX-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+]1CCCC1(C)C 63073398 343401154 /nfs/dbraw/zinc/40/11/54/343401154.db2.gz MYAXHSZVILKLOX-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCCC1(C)C 63073481 343401197 /nfs/dbraw/zinc/40/11/97/343401197.db2.gz MBZLBIPGYYTJBN-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+]1CCCC1(C)C 63073481 343401199 /nfs/dbraw/zinc/40/11/99/343401199.db2.gz MBZLBIPGYYTJBN-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([NH3+])CCNc1cccc[nH+]1 63171429 343403967 /nfs/dbraw/zinc/40/39/67/343403967.db2.gz RUICRHDXVGZPGU-MRVPVSSYSA-N 2 2 165.240 1.231 10 0 ADAELP C[C@H]([NH3+])CCNc1cccc[nH+]1 63171428 343404029 /nfs/dbraw/zinc/40/40/29/343404029.db2.gz RUICRHDXVGZPGU-QMMMGPOBSA-N 2 2 165.240 1.231 10 0 ADAELP Cc1cccc(N[C@@H]2CCC[C@H]2[NH3+])[nH+]1 63176947 343404920 /nfs/dbraw/zinc/40/49/20/343404920.db2.gz MHMFYKHFFFZZCJ-NXEZZACHSA-N 2 2 191.278 1.682 10 0 ADAELP Cc1cc(N[C@H]2CCC[C@H]2[NH3+])nc[nH+]1 63176496 343404931 /nfs/dbraw/zinc/40/49/31/343404931.db2.gz MEXNRBWUFVLXSI-BDAKNGLRSA-N 2 2 192.266 1.077 10 0 ADAELP CC[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191860 343405496 /nfs/dbraw/zinc/40/54/96/343405496.db2.gz GRFPZQBPDJZLGF-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191860 343405500 /nfs/dbraw/zinc/40/55/00/343405500.db2.gz GRFPZQBPDJZLGF-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63191349 343405599 /nfs/dbraw/zinc/40/55/99/343405599.db2.gz WVPJZRBLAZJHHI-ZJUUUORDSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63191349 343405602 /nfs/dbraw/zinc/40/56/02/343405602.db2.gz WVPJZRBLAZJHHI-ZJUUUORDSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191348 343405627 /nfs/dbraw/zinc/40/56/27/343405627.db2.gz WVPJZRBLAZJHHI-NXEZZACHSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63191348 343405630 /nfs/dbraw/zinc/40/56/30/343405630.db2.gz WVPJZRBLAZJHHI-NXEZZACHSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]1CCC[C@H](C[NH+](C)C)[NH2+]1 66147446 343409208 /nfs/dbraw/zinc/40/92/08/343409208.db2.gz QQTMVNPRFWHVSQ-DTWKUNHWSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@@H]1CCC[C@@H](C[NH+](C)C)[NH2+]1 66147448 343409429 /nfs/dbraw/zinc/40/94/29/343409429.db2.gz QQTMVNPRFWHVSQ-BDAKNGLRSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@H]1CCC[C@@H](C[NH+](C)C)[NH2+]1 66147450 343409434 /nfs/dbraw/zinc/40/94/34/343409434.db2.gz QQTMVNPRFWHVSQ-IUCAKERBSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@@H]1CCC[C@H](C[NH+](C)C)[NH2+]1 66147444 343409509 /nfs/dbraw/zinc/40/95/09/343409509.db2.gz QQTMVNPRFWHVSQ-RKDXNWHRSA-N 2 2 156.273 1.079 10 0 ADAELP [NH3+][C@H](C[NH+]1CCCCCCC1)C1CC1 68893770 343413867 /nfs/dbraw/zinc/41/38/67/343413867.db2.gz URUOILHZDRTKKZ-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]([NH3+])C1CC1 68893667 343413935 /nfs/dbraw/zinc/41/39/35/343413935.db2.gz OXQFZWMLZQYADI-FOGDFJRCSA-N 2 2 196.338 1.987 10 0 ADAELP CC1(C)CCC[N@@H+]1C[C@@H]([NH3+])C1CC1 68897574 343413992 /nfs/dbraw/zinc/41/39/92/343413992.db2.gz CKPDWZNRWNPJGL-SNVBAGLBSA-N 2 2 182.311 1.598 10 0 ADAELP CC1(C)CCC[N@H+]1C[C@@H]([NH3+])C1CC1 68897574 343413995 /nfs/dbraw/zinc/41/39/95/343413995.db2.gz CKPDWZNRWNPJGL-SNVBAGLBSA-N 2 2 182.311 1.598 10 0 ADAELP CC1(C)CCC[N@@H+]1C[C@H]([NH3+])C1CC1 68897570 343414017 /nfs/dbraw/zinc/41/40/17/343414017.db2.gz CKPDWZNRWNPJGL-JTQLQIEISA-N 2 2 182.311 1.598 10 0 ADAELP CC1(C)CCC[N@H+]1C[C@H]([NH3+])C1CC1 68897570 343414020 /nfs/dbraw/zinc/41/40/20/343414020.db2.gz CKPDWZNRWNPJGL-JTQLQIEISA-N 2 2 182.311 1.598 10 0 ADAELP [NH3+][C@@H](C[NH+]1CCCCCCC1)C1CC1 68893769 343414032 /nfs/dbraw/zinc/41/40/32/343414032.db2.gz URUOILHZDRTKKZ-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@@H+]1C[C@H]([NH3+])C1CC1 68893664 343414146 /nfs/dbraw/zinc/41/41/46/343414146.db2.gz OXQFZWMLZQYADI-UMNHJUIQSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H]([NH3+])C1CC1 68893664 343414148 /nfs/dbraw/zinc/41/41/48/343414148.db2.gz OXQFZWMLZQYADI-UMNHJUIQSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C1CCC1 68954846 343416960 /nfs/dbraw/zinc/41/69/60/343416960.db2.gz OFHCYPKTRXBMGO-GXSJLCMTSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C1CCC1 68954846 343416962 /nfs/dbraw/zinc/41/69/62/343416962.db2.gz OFHCYPKTRXBMGO-GXSJLCMTSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C1CCC1 68954841 343417039 /nfs/dbraw/zinc/41/70/39/343417039.db2.gz OFHCYPKTRXBMGO-ONGXEEELSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C1CCC1 68954841 343417043 /nfs/dbraw/zinc/41/70/43/343417043.db2.gz OFHCYPKTRXBMGO-ONGXEEELSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1C1CCC1 68954850 343417081 /nfs/dbraw/zinc/41/70/81/343417081.db2.gz OFHCYPKTRXBMGO-MWLCHTKSSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C1CCC1 68954850 343417084 /nfs/dbraw/zinc/41/70/84/343417084.db2.gz OFHCYPKTRXBMGO-MWLCHTKSSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1C1CCC1 68954843 343417220 /nfs/dbraw/zinc/41/72/20/343417220.db2.gz OFHCYPKTRXBMGO-KOLCDFICSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1C1CCC1 68954843 343417222 /nfs/dbraw/zinc/41/72/22/343417222.db2.gz OFHCYPKTRXBMGO-KOLCDFICSA-N 2 2 182.311 1.741 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 68997049 343419962 /nfs/dbraw/zinc/41/99/62/343419962.db2.gz AYSIIXLCIIYDRG-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 68997049 343419964 /nfs/dbraw/zinc/41/99/64/343419964.db2.gz AYSIIXLCIIYDRG-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@@H]1[NH3+] 68997045 343420239 /nfs/dbraw/zinc/42/02/39/343420239.db2.gz AYSIIXLCIIYDRG-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@H]1CCC[NH2+]C1 68998256 343420681 /nfs/dbraw/zinc/42/06/81/343420681.db2.gz YDRYQZOBBVQSTI-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@H]1CCC[NH2+]C1 68998256 343420685 /nfs/dbraw/zinc/42/06/85/343420685.db2.gz YDRYQZOBBVQSTI-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@@H]1CCC[NH2+]C1 68998253 343420805 /nfs/dbraw/zinc/42/08/05/343420805.db2.gz YDRYQZOBBVQSTI-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@@H]1CCC[NH2+]C1 68998253 343420806 /nfs/dbraw/zinc/42/08/06/343420806.db2.gz YDRYQZOBBVQSTI-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP Cn1cc[nH+]c1-c1ccc(C[NH3+])cc1 69027676 343422408 /nfs/dbraw/zinc/42/24/08/343422408.db2.gz VAJFGMHRDPRUQN-UHFFFAOYSA-N 2 2 187.246 1.546 10 0 ADAELP Cn1cc[nH+]c1[C@@H]1CCCCC[C@H]1[NH3+] 69030229 343422866 /nfs/dbraw/zinc/42/28/66/343422866.db2.gz AIFNUMFLLKSINS-NXEZZACHSA-N 2 2 193.294 1.795 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CCCC[C@@H]1[NH3+] 69030192 343422894 /nfs/dbraw/zinc/42/28/94/343422894.db2.gz VASWUWGSZNFMOU-IUCAKERBSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CCC[C@@H]1[NH3+] 69030210 343422925 /nfs/dbraw/zinc/42/29/25/343422925.db2.gz JDWOQJGUPJPLMR-YUMQZZPRSA-N 2 2 165.240 1.015 10 0 ADAELP Cn1cc[nH+]c1[C@@H]1CCCCC[C@@H]1[NH3+] 69030223 343422931 /nfs/dbraw/zinc/42/29/31/343422931.db2.gz AIFNUMFLLKSINS-ZJUUUORDSA-N 2 2 193.294 1.795 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CCC[C@H]1[NH3+] 69030218 343422946 /nfs/dbraw/zinc/42/29/46/343422946.db2.gz JDWOQJGUPJPLMR-JGVFFNPUSA-N 2 2 165.240 1.015 10 0 ADAELP Cn1cc[nH+]c1[C@@H]1CCC[C@H]1[NH3+] 69030214 343422950 /nfs/dbraw/zinc/42/29/50/343422950.db2.gz JDWOQJGUPJPLMR-HTQZYQBOSA-N 2 2 165.240 1.015 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CCCC[C@H]1[NH3+] 69030201 343422964 /nfs/dbraw/zinc/42/29/64/343422964.db2.gz VASWUWGSZNFMOU-DTWKUNHWSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1cc[nH+]c1[C@@H]1CCCC[C@@H]1[NH3+] 69030187 343422980 /nfs/dbraw/zinc/42/29/80/343422980.db2.gz VASWUWGSZNFMOU-BDAKNGLRSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1cc[nH+]c1C[C@H]1CCCC[NH2+]1 69029998 343423001 /nfs/dbraw/zinc/42/30/01/343423001.db2.gz ZDZIOFUWYQZYAU-SECBINFHSA-N 2 2 179.267 1.105 10 0 ADAELP Cn1cc[nH+]c1[C@@H]1CCC[C@@H]1[NH3+] 69030205 343423038 /nfs/dbraw/zinc/42/30/38/343423038.db2.gz JDWOQJGUPJPLMR-SFYZADRCSA-N 2 2 165.240 1.015 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CCCCC[C@@H]1[NH3+] 69030228 343423059 /nfs/dbraw/zinc/42/30/59/343423059.db2.gz AIFNUMFLLKSINS-UWVGGRQHSA-N 2 2 193.294 1.795 10 0 ADAELP CCn1cc[nH+]c1C[C@H]1CCCC[NH2+]1 69048490 343423258 /nfs/dbraw/zinc/42/32/58/343423258.db2.gz YMWHHNFNTLDKAL-SNVBAGLBSA-N 2 2 193.294 1.588 10 0 ADAELP CCCn1cc[nH+]c1[C@@H]1CCC[C@@H]1[NH3+] 69048625 343423264 /nfs/dbraw/zinc/42/32/64/343423264.db2.gz WULAXUASFGDEGN-ZJUUUORDSA-N 2 2 193.294 1.888 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CCCC[C@@H]1[NH3+] 69048622 343423304 /nfs/dbraw/zinc/42/33/04/343423304.db2.gz NSIDTQQCCMLCRT-UWVGGRQHSA-N 2 2 193.294 1.888 10 0 ADAELP CCCn1cc[nH+]c1C1CC[NH2+]CC1 69031754 343423313 /nfs/dbraw/zinc/42/33/13/343423313.db2.gz XMDXICJYNSCMMD-UHFFFAOYSA-N 2 2 193.294 1.760 10 0 ADAELP C[NH2+][C@H]1CCCC[C@@H]1c1[nH+]ccn1C 69030252 343423341 /nfs/dbraw/zinc/42/33/41/343423341.db2.gz RMSIKPIXJJQXGS-UWVGGRQHSA-N 2 2 193.294 1.666 10 0 ADAELP CC[NH2+][C@H]1CCC[C@H]1c1[nH+]ccn1C 69030330 343423401 /nfs/dbraw/zinc/42/34/01/343423401.db2.gz XFJLLTWJZIILHJ-ZJUUUORDSA-N 2 2 193.294 1.666 10 0 ADAELP CCCn1cc[nH+]c1C1=CC[NH2+]CC1 69031621 343423419 /nfs/dbraw/zinc/42/34/19/343423419.db2.gz VQJNMOZTXAJZMD-UHFFFAOYSA-N 2 2 191.278 1.670 10 0 ADAELP CCn1cc[nH+]c1C1=CC[NH2+]CC1 69031626 343423429 /nfs/dbraw/zinc/42/34/29/343423429.db2.gz KBTCHIJNELPJMH-UHFFFAOYSA-N 2 2 177.251 1.280 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1c1[nH+]ccn1C 69030308 343423449 /nfs/dbraw/zinc/42/34/49/343423449.db2.gz HAPOEFRURYCACD-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1c1[nH+]ccn1C 69030300 343423457 /nfs/dbraw/zinc/42/34/57/343423457.db2.gz HAPOEFRURYCACD-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP CCn1cc[nH+]c1C[C@@H]1CCCC[NH2+]1 69048489 343423467 /nfs/dbraw/zinc/42/34/67/343423467.db2.gz YMWHHNFNTLDKAL-JTQLQIEISA-N 2 2 193.294 1.588 10 0 ADAELP C[NH2+][C@@H]1CCCC[C@H]1c1[nH+]ccn1C 69030257 343423523 /nfs/dbraw/zinc/42/35/23/343423523.db2.gz RMSIKPIXJJQXGS-NXEZZACHSA-N 2 2 193.294 1.666 10 0 ADAELP CCCn1cc[nH+]c1[C@H]1CCC[C@@H]1[NH3+] 69048626 343423542 /nfs/dbraw/zinc/42/35/42/343423542.db2.gz WULAXUASFGDEGN-UWVGGRQHSA-N 2 2 193.294 1.888 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CCCCC[C@H]1[NH3+] 69030236 343423548 /nfs/dbraw/zinc/42/35/48/343423548.db2.gz AIFNUMFLLKSINS-VHSXEESVSA-N 2 2 193.294 1.795 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1c1[nH+]ccn1C 69030313 343423555 /nfs/dbraw/zinc/42/35/55/343423555.db2.gz HAPOEFRURYCACD-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@@H]1c1[nH+]ccn1C 69030317 343423572 /nfs/dbraw/zinc/42/35/72/343423572.db2.gz XFJLLTWJZIILHJ-VHSXEESVSA-N 2 2 193.294 1.666 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1c1[nH+]ccn1C 69030306 343423582 /nfs/dbraw/zinc/42/35/82/343423582.db2.gz HAPOEFRURYCACD-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP CC[NH2+][C@H]1CCC[C@@H]1c1[nH+]ccn1C 69030322 343423626 /nfs/dbraw/zinc/42/36/26/343423626.db2.gz XFJLLTWJZIILHJ-UWVGGRQHSA-N 2 2 193.294 1.666 10 0 ADAELP C[NH2+][C@H]1CCCC[C@H]1c1[nH+]ccn1C 69030262 343423604 /nfs/dbraw/zinc/42/36/04/343423604.db2.gz RMSIKPIXJJQXGS-ZJUUUORDSA-N 2 2 193.294 1.666 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CCCC[C@H]1[NH3+] 69048623 343423607 /nfs/dbraw/zinc/42/36/07/343423607.db2.gz NSIDTQQCCMLCRT-NXEZZACHSA-N 2 2 193.294 1.888 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CCCC[C@H]1[NH3+] 69048624 343423623 /nfs/dbraw/zinc/42/36/23/343423623.db2.gz NSIDTQQCCMLCRT-VHSXEESVSA-N 2 2 193.294 1.888 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CCC[C@@H]1[NH3+] 69048632 343423802 /nfs/dbraw/zinc/42/38/02/343423802.db2.gz GIIQXRIWMXFLAD-IUCAKERBSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CCC[C@@H]1[NH2+]C 69048689 343423850 /nfs/dbraw/zinc/42/38/50/343423850.db2.gz LETWMABWCNBOFO-ZJUUUORDSA-N 2 2 193.294 1.759 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CCC[C@@H]1[NH3+] 69048631 343423856 /nfs/dbraw/zinc/42/38/56/343423856.db2.gz GIIQXRIWMXFLAD-BDAKNGLRSA-N 2 2 179.267 1.498 10 0 ADAELP CCCn1cc[nH+]c1[C@H]1CCC[C@H]1[NH3+] 69048630 343423913 /nfs/dbraw/zinc/42/39/13/343423913.db2.gz WULAXUASFGDEGN-VHSXEESVSA-N 2 2 193.294 1.888 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CCC[C@H]1[NH2+]C 69048694 343423944 /nfs/dbraw/zinc/42/39/44/343423944.db2.gz LETWMABWCNBOFO-VHSXEESVSA-N 2 2 193.294 1.759 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CCC[C@H]1[NH3+] 69048635 343424048 /nfs/dbraw/zinc/42/40/48/343424048.db2.gz GIIQXRIWMXFLAD-DTWKUNHWSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CCC[C@H]1[NH3+] 69048634 343424058 /nfs/dbraw/zinc/42/40/58/343424058.db2.gz GIIQXRIWMXFLAD-RKDXNWHRSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CCC[C@@H]1[NH2+]C 69048691 343424065 /nfs/dbraw/zinc/42/40/65/343424065.db2.gz LETWMABWCNBOFO-UWVGGRQHSA-N 2 2 193.294 1.759 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CCC[C@H]1[NH2+]C 69048693 343424092 /nfs/dbraw/zinc/42/40/92/343424092.db2.gz LETWMABWCNBOFO-NXEZZACHSA-N 2 2 193.294 1.759 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H](C)CC2CC2)CC[NH2+]1 69669802 343431887 /nfs/dbraw/zinc/43/18/87/343431887.db2.gz VCFMTPBYADHPAJ-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H](C)CC2CC2)CC[NH2+]1 69669802 343431889 /nfs/dbraw/zinc/43/18/89/343431889.db2.gz VCFMTPBYADHPAJ-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](CC1CC1)[N@@H+]1CC[NH2+][C@H](C)CC1 69669798 343431998 /nfs/dbraw/zinc/43/19/98/343431998.db2.gz VCFMTPBYADHPAJ-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](CC1CC1)[N@H+]1CC[NH2+][C@H](C)CC1 69669798 343431999 /nfs/dbraw/zinc/43/19/99/343431999.db2.gz VCFMTPBYADHPAJ-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1[NH3+] 69718564 343435534 /nfs/dbraw/zinc/43/55/34/343435534.db2.gz UQYYBOZKBVSDFV-JQWIXIFHSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1[NH3+] 69718564 343435535 /nfs/dbraw/zinc/43/55/35/343435535.db2.gz UQYYBOZKBVSDFV-JQWIXIFHSA-N 2 2 196.338 1.846 10 0 ADAELP CCC(CC)[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718204 343435576 /nfs/dbraw/zinc/43/55/76/343435576.db2.gz NMERVZMPAONJQW-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(CC)[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718204 343435577 /nfs/dbraw/zinc/43/55/77/343435577.db2.gz NMERVZMPAONJQW-GXSJLCMTSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(CC)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718206 343435602 /nfs/dbraw/zinc/43/56/02/343435602.db2.gz NMERVZMPAONJQW-MWLCHTKSSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1[NH3+] 69718562 343435620 /nfs/dbraw/zinc/43/56/20/343435620.db2.gz UQYYBOZKBVSDFV-PWSUYJOCSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1[NH3+] 69718562 343435621 /nfs/dbraw/zinc/43/56/21/343435621.db2.gz UQYYBOZKBVSDFV-PWSUYJOCSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 69718078 343435628 /nfs/dbraw/zinc/43/56/28/343435628.db2.gz HGHMSVTXVHVYBS-YWVKMMECSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 69718078 343435630 /nfs/dbraw/zinc/43/56/30/343435630.db2.gz HGHMSVTXVHVYBS-YWVKMMECSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 69718503 343435649 /nfs/dbraw/zinc/43/56/49/343435649.db2.gz LNZLNLVTZOUWQQ-VWYCJHECSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 69718503 343435650 /nfs/dbraw/zinc/43/56/50/343435650.db2.gz LNZLNLVTZOUWQQ-VWYCJHECSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718390 343435689 /nfs/dbraw/zinc/43/56/89/343435689.db2.gz DBNCKOCXXGEULD-GARJFASQSA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718390 343435692 /nfs/dbraw/zinc/43/56/92/343435692.db2.gz DBNCKOCXXGEULD-GARJFASQSA-N 2 2 184.327 1.702 10 0 ADAELP C[C@H]1CC[N@H+](Cc2ccco2)C[C@@H]1[NH3+] 69718106 343435734 /nfs/dbraw/zinc/43/57/34/343435734.db2.gz MTDFPJZJAZXJTK-ONGXEEELSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1[NH3+] 69718106 343435735 /nfs/dbraw/zinc/43/57/35/343435735.db2.gz MTDFPJZJAZXJTK-ONGXEEELSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1CC[N@H+](Cc2ccco2)C[C@@H]1[NH3+] 69718101 343435912 /nfs/dbraw/zinc/43/59/12/343435912.db2.gz MTDFPJZJAZXJTK-KOLCDFICSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1[NH3+] 69718101 343435916 /nfs/dbraw/zinc/43/59/16/343435916.db2.gz MTDFPJZJAZXJTK-KOLCDFICSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1CC[N@@H+](C2CCCC2)C[C@@H]1[NH3+] 69718485 343435931 /nfs/dbraw/zinc/43/59/31/343435931.db2.gz AJCPDNNDSBRXEC-KOLCDFICSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@H+](C2CCCC2)C[C@@H]1[NH3+] 69718485 343435935 /nfs/dbraw/zinc/43/59/35/343435935.db2.gz AJCPDNNDSBRXEC-KOLCDFICSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 69718504 343435982 /nfs/dbraw/zinc/43/59/82/343435982.db2.gz LNZLNLVTZOUWQQ-DCAQKATOSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 69718504 343435985 /nfs/dbraw/zinc/43/59/85/343435985.db2.gz LNZLNLVTZOUWQQ-DCAQKATOSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1CC[N@@H+](C2CCCC2)C[C@@H]1[NH3+] 69718490 343436001 /nfs/dbraw/zinc/43/60/01/343436001.db2.gz AJCPDNNDSBRXEC-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 69719859 343436353 /nfs/dbraw/zinc/43/63/53/343436353.db2.gz GMZKZIUTKTVIFL-QWRGUYRKSA-N 2 2 182.311 1.622 10 0 ADAELP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 69719859 343436355 /nfs/dbraw/zinc/43/63/55/343436355.db2.gz GMZKZIUTKTVIFL-QWRGUYRKSA-N 2 2 182.311 1.622 10 0 ADAELP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 69719856 343436549 /nfs/dbraw/zinc/43/65/49/343436549.db2.gz GMZKZIUTKTVIFL-MNOVXSKESA-N 2 2 182.311 1.622 10 0 ADAELP C/C=C/C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69720202 343437106 /nfs/dbraw/zinc/43/71/06/343437106.db2.gz LUIUAWPERIQUOM-HIHHVFROSA-N 2 2 168.284 1.232 10 0 ADAELP C/C=C/C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69720202 343437107 /nfs/dbraw/zinc/43/71/07/343437107.db2.gz LUIUAWPERIQUOM-HIHHVFROSA-N 2 2 168.284 1.232 10 0 ADAELP C[C@H]1CSCC[N@@H+]1C(C)(C)C[NH3+] 69760855 343439320 /nfs/dbraw/zinc/43/93/20/343439320.db2.gz NCXXHSIBKHFFJG-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@H]1CSCC[N@H+]1C(C)(C)C[NH3+] 69760855 343439322 /nfs/dbraw/zinc/43/93/22/343439322.db2.gz NCXXHSIBKHFFJG-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+]1CCSC[C@@H]1C 69760692 343439335 /nfs/dbraw/zinc/43/93/35/343439335.db2.gz IPWWIUPHHDSVKE-IUCAKERBSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+]1CCSC[C@@H]1C 69760692 343439338 /nfs/dbraw/zinc/43/93/38/343439338.db2.gz IPWWIUPHHDSVKE-IUCAKERBSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCSC[C@@H]1C 69762579 343439762 /nfs/dbraw/zinc/43/97/62/343439762.db2.gz KLMFHQMHZLVRMT-IUCAKERBSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H](C[NH3+])[N@@H+]1CCSC[C@@H]1C 69760693 343439496 /nfs/dbraw/zinc/43/94/96/343439496.db2.gz IPWWIUPHHDSVKE-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H](C[NH3+])[N@H+]1CCSC[C@@H]1C 69760693 343439498 /nfs/dbraw/zinc/43/94/98/343439498.db2.gz IPWWIUPHHDSVKE-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@@H]1CSCC[N@@H+]1C(C)(C)C[NH3+] 69760854 343439513 /nfs/dbraw/zinc/43/95/13/343439513.db2.gz NCXXHSIBKHFFJG-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@@H]1CSCC[N@H+]1C(C)(C)C[NH3+] 69760854 343439514 /nfs/dbraw/zinc/43/95/14/343439514.db2.gz NCXXHSIBKHFFJG-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCSC[C@@H]1C 69762579 343439763 /nfs/dbraw/zinc/43/97/63/343439763.db2.gz KLMFHQMHZLVRMT-IUCAKERBSA-N 2 2 188.340 1.161 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCSC[C@@H]1C 69762614 343439788 /nfs/dbraw/zinc/43/97/88/343439788.db2.gz DKJWXIPTVQEEOP-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCSC[C@@H]1C 69762614 343439789 /nfs/dbraw/zinc/43/97/89/343439789.db2.gz DKJWXIPTVQEEOP-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP C[C@H]1CSCC[N@@H+]1CC(C)(C)[NH3+] 69762533 343439837 /nfs/dbraw/zinc/43/98/37/343439837.db2.gz XFVLWNRGPRNOKL-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@H]1CSCC[N@H+]1CC(C)(C)[NH3+] 69762533 343439839 /nfs/dbraw/zinc/43/98/39/343439839.db2.gz XFVLWNRGPRNOKL-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCSC[C@H]1C 69762612 343439855 /nfs/dbraw/zinc/43/98/55/343439855.db2.gz DKJWXIPTVQEEOP-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCSC[C@H]1C 69762612 343439856 /nfs/dbraw/zinc/43/98/56/343439856.db2.gz DKJWXIPTVQEEOP-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP C[C@@H]1CSCC[N@@H+]1CC(C)(C)[NH3+] 69762531 343439922 /nfs/dbraw/zinc/43/99/22/343439922.db2.gz XFVLWNRGPRNOKL-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@@H]1CSCC[N@H+]1CC(C)(C)[NH3+] 69762531 343439924 /nfs/dbraw/zinc/43/99/24/343439924.db2.gz XFVLWNRGPRNOKL-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CCSC[C@@H]1C 69762581 343440136 /nfs/dbraw/zinc/44/01/36/343440136.db2.gz KLMFHQMHZLVRMT-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CCSC[C@@H]1C 69762581 343440137 /nfs/dbraw/zinc/44/01/37/343440137.db2.gz KLMFHQMHZLVRMT-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CC1(C)CCC[N@H+](CC(N)=[NH2+])C1 69793432 343441885 /nfs/dbraw/zinc/44/18/85/343441885.db2.gz NKXQHLXNWAQKAZ-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP CC1(C)CCC[N@@H+](CC(N)=[NH2+])C1 69793432 343441887 /nfs/dbraw/zinc/44/18/87/343441887.db2.gz NKXQHLXNWAQKAZ-UHFFFAOYSA-N 2 2 169.272 1.044 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCCC(C)(C)C1 69793444 343442228 /nfs/dbraw/zinc/44/22/28/343442228.db2.gz UMVKNYWUYFDILT-MRVPVSSYSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+]1CCCC(C)(C)C1 69793444 343442230 /nfs/dbraw/zinc/44/22/30/343442230.db2.gz UMVKNYWUYFDILT-MRVPVSSYSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCC(C)(C)C1 69793443 343442436 /nfs/dbraw/zinc/44/24/36/343442436.db2.gz UMVKNYWUYFDILT-QMMMGPOBSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCCC(C)(C)C1 69793443 343442438 /nfs/dbraw/zinc/44/24/38/343442438.db2.gz UMVKNYWUYFDILT-QMMMGPOBSA-N 2 2 183.299 1.433 10 0 ADAELP Cc1ccsc1[C@H]1[C@@H]([NH3+])CC[N@@H+]1C 69798953 343442779 /nfs/dbraw/zinc/44/27/79/343442779.db2.gz STRYOROPSVJNFZ-DTWKUNHWSA-N 2 2 196.319 1.760 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccccc1 69799713 343442699 /nfs/dbraw/zinc/44/26/99/343442699.db2.gz YJRQUAURNNVCEM-RYUDHWBXSA-N 2 2 190.290 1.781 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccccc1 69799713 343442701 /nfs/dbraw/zinc/44/27/01/343442701.db2.gz YJRQUAURNNVCEM-RYUDHWBXSA-N 2 2 190.290 1.781 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccncc1 69799704 343442722 /nfs/dbraw/zinc/44/27/22/343442722.db2.gz XQOOXBCBDUOECC-MNOVXSKESA-N 2 2 191.278 1.176 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccncc1 69799704 343442725 /nfs/dbraw/zinc/44/27/25/343442725.db2.gz XQOOXBCBDUOECC-MNOVXSKESA-N 2 2 191.278 1.176 10 0 ADAELP Cc1cccc([C@@H]2[C@@H]([NH3+])CC[N@H+]2C)c1 69798836 343442750 /nfs/dbraw/zinc/44/27/50/343442750.db2.gz VJAJJSQVOUQPFJ-NWDGAFQWSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1cccc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2C)c1 69798836 343442752 /nfs/dbraw/zinc/44/27/52/343442752.db2.gz VJAJJSQVOUQPFJ-NWDGAFQWSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1cccc([C@H]2[C@H]([NH3+])CC[N@H+]2C)c1 69798834 343442764 /nfs/dbraw/zinc/44/27/64/343442764.db2.gz VJAJJSQVOUQPFJ-NEPJUHHUSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1cccc([C@H]2[C@H]([NH3+])CC[N@@H+]2C)c1 69798834 343442766 /nfs/dbraw/zinc/44/27/66/343442766.db2.gz VJAJJSQVOUQPFJ-NEPJUHHUSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccsc1[C@H]1[C@@H]([NH3+])CC[N@H+]1C 69798953 343442777 /nfs/dbraw/zinc/44/27/77/343442777.db2.gz STRYOROPSVJNFZ-DTWKUNHWSA-N 2 2 196.319 1.760 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccc(C)o1 69799855 343442875 /nfs/dbraw/zinc/44/28/75/343442875.db2.gz URSZKQVTLVPXBE-GXSJLCMTSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccc(C)o1 69799855 343442879 /nfs/dbraw/zinc/44/28/79/343442879.db2.gz URSZKQVTLVPXBE-GXSJLCMTSA-N 2 2 194.278 1.682 10 0 ADAELP Cc1ccsc1[C@H]1[C@H]([NH3+])CC[N@H+]1C 69798949 343442928 /nfs/dbraw/zinc/44/29/28/343442928.db2.gz STRYOROPSVJNFZ-RKDXNWHRSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1ccsc1[C@H]1[C@H]([NH3+])CC[N@@H+]1C 69798949 343442930 /nfs/dbraw/zinc/44/29/30/343442930.db2.gz STRYOROPSVJNFZ-RKDXNWHRSA-N 2 2 196.319 1.760 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccncc1 69799702 343442936 /nfs/dbraw/zinc/44/29/36/343442936.db2.gz XQOOXBCBDUOECC-QWRGUYRKSA-N 2 2 191.278 1.176 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccncc1 69799702 343442938 /nfs/dbraw/zinc/44/29/38/343442938.db2.gz XQOOXBCBDUOECC-QWRGUYRKSA-N 2 2 191.278 1.176 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1c1cccs1 69798458 343442954 /nfs/dbraw/zinc/44/29/54/343442954.db2.gz JMLFPQVVYNPFLF-WCBMZHEXSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@H]([NH3+])[C@@H]1c1cccs1 69798458 343442958 /nfs/dbraw/zinc/44/29/58/343442958.db2.gz JMLFPQVVYNPFLF-WCBMZHEXSA-N 2 2 196.319 1.842 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccco1 69800016 343443073 /nfs/dbraw/zinc/44/30/73/343443073.db2.gz HMBVOXRMCRTELK-GXSJLCMTSA-N 2 2 194.278 1.762 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccco1 69800016 343443076 /nfs/dbraw/zinc/44/30/76/343443076.db2.gz HMBVOXRMCRTELK-GXSJLCMTSA-N 2 2 194.278 1.762 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 69799877 343443086 /nfs/dbraw/zinc/44/30/86/343443086.db2.gz CWCSQHPWASKCJN-ZJUUUORDSA-N 2 2 196.319 1.842 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccsc1 69799877 343443088 /nfs/dbraw/zinc/44/30/88/343443088.db2.gz CWCSQHPWASKCJN-ZJUUUORDSA-N 2 2 196.319 1.842 10 0 ADAELP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccco1 69799907 343443119 /nfs/dbraw/zinc/44/31/19/343443119.db2.gz GMGWKFAOPQGENM-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP CCC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccco1 69799907 343443121 /nfs/dbraw/zinc/44/31/21/343443121.db2.gz GMGWKFAOPQGENM-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccccc1 69799715 343443154 /nfs/dbraw/zinc/44/31/54/343443154.db2.gz YJRQUAURNNVCEM-NEPJUHHUSA-N 2 2 190.290 1.781 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccccc1 69799715 343443156 /nfs/dbraw/zinc/44/31/56/343443156.db2.gz YJRQUAURNNVCEM-NEPJUHHUSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccsc1 69798747 343443170 /nfs/dbraw/zinc/44/31/70/343443170.db2.gz ACHKOMCGAAGIOG-ZJUUUORDSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1c1ccsc1 69798747 343443173 /nfs/dbraw/zinc/44/31/73/343443173.db2.gz ACHKOMCGAAGIOG-ZJUUUORDSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccsc1 69798745 343443181 /nfs/dbraw/zinc/44/31/81/343443181.db2.gz ACHKOMCGAAGIOG-UWVGGRQHSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@H]([NH3+])[C@@H]1c1ccsc1 69798745 343443184 /nfs/dbraw/zinc/44/31/84/343443184.db2.gz ACHKOMCGAAGIOG-UWVGGRQHSA-N 2 2 196.319 1.842 10 0 ADAELP Cc1cccc([C@H]2[C@@H]([NH3+])CC[N@H+]2C)c1 69798837 343443196 /nfs/dbraw/zinc/44/31/96/343443196.db2.gz VJAJJSQVOUQPFJ-RYUDHWBXSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1cccc([C@H]2[C@@H]([NH3+])CC[N@@H+]2C)c1 69798837 343443200 /nfs/dbraw/zinc/44/32/00/343443200.db2.gz VJAJJSQVOUQPFJ-RYUDHWBXSA-N 2 2 190.290 1.699 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccco1 69800018 343443222 /nfs/dbraw/zinc/44/32/22/343443222.db2.gz HMBVOXRMCRTELK-MWLCHTKSSA-N 2 2 194.278 1.762 10 0 ADAELP C[N@@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1ccco1 69799168 343443229 /nfs/dbraw/zinc/44/32/29/343443229.db2.gz WFQFVRPZYUIDQB-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP C[N@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1ccco1 69799168 343443231 /nfs/dbraw/zinc/44/32/31/343443231.db2.gz WFQFVRPZYUIDQB-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP Cc1ccsc1[C@@H]1[C@H]([NH3+])CC[N@H+]1C 69798947 343443252 /nfs/dbraw/zinc/44/32/52/343443252.db2.gz STRYOROPSVJNFZ-BDAKNGLRSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1ccsc1[C@@H]1[C@H]([NH3+])CC[N@@H+]1C 69798947 343443253 /nfs/dbraw/zinc/44/32/53/343443253.db2.gz STRYOROPSVJNFZ-BDAKNGLRSA-N 2 2 196.319 1.760 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1c1cccs1 69798459 343443258 /nfs/dbraw/zinc/44/32/58/343443258.db2.gz JMLFPQVVYNPFLF-PSASIEDQSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1c1cccs1 69798459 343443261 /nfs/dbraw/zinc/44/32/61/343443261.db2.gz JMLFPQVVYNPFLF-PSASIEDQSA-N 2 2 196.319 1.842 10 0 ADAELP Cc1cccc([C@@H]2[C@H]([NH3+])CC[N@H+]2C)c1 69798833 343443270 /nfs/dbraw/zinc/44/32/70/343443270.db2.gz VJAJJSQVOUQPFJ-VXGBXAGGSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1cccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C)c1 69798833 343443272 /nfs/dbraw/zinc/44/32/72/343443272.db2.gz VJAJJSQVOUQPFJ-VXGBXAGGSA-N 2 2 190.290 1.699 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccsc1 69799875 343443310 /nfs/dbraw/zinc/44/33/10/343443310.db2.gz CWCSQHPWASKCJN-UWVGGRQHSA-N 2 2 196.319 1.842 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccsc1 69799875 343443312 /nfs/dbraw/zinc/44/33/12/343443312.db2.gz CWCSQHPWASKCJN-UWVGGRQHSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+]1CCCC[C@H]([NH3+])[C@@H]1c1ccco1 69799166 343443319 /nfs/dbraw/zinc/44/33/19/343443319.db2.gz WFQFVRPZYUIDQB-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP C[N@H+]1CCCC[C@H]([NH3+])[C@@H]1c1ccco1 69799166 343443321 /nfs/dbraw/zinc/44/33/21/343443321.db2.gz WFQFVRPZYUIDQB-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccc(C)o1 69799857 343443359 /nfs/dbraw/zinc/44/33/59/343443359.db2.gz URSZKQVTLVPXBE-MWLCHTKSSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccc(C)o1 69799857 343443361 /nfs/dbraw/zinc/44/33/61/343443361.db2.gz URSZKQVTLVPXBE-MWLCHTKSSA-N 2 2 194.278 1.682 10 0 ADAELP Cc1ccsc1[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C 69798950 343443374 /nfs/dbraw/zinc/44/33/74/343443374.db2.gz STRYOROPSVJNFZ-IUCAKERBSA-N 2 2 196.319 1.760 10 0 ADAELP C[C@@H]([NH3+])CCc1[nH]c2ccccc2[nH+]1 69837838 343444048 /nfs/dbraw/zinc/44/40/48/343444048.db2.gz JYNXDOGQTHBFPV-MRVPVSSYSA-N 2 2 189.262 1.843 10 0 ADAELP C[C@H]([NH3+])CCc1[nH]c2ccccc2[nH+]1 69837837 343444265 /nfs/dbraw/zinc/44/42/65/343444265.db2.gz JYNXDOGQTHBFPV-QMMMGPOBSA-N 2 2 189.262 1.843 10 0 ADAELP Nc1cc[nH+]cc1[C@@H]([NH3+])c1ccco1 69845621 343447318 /nfs/dbraw/zinc/44/73/18/343447318.db2.gz HRZIQSUKYVZWAK-SNVBAGLBSA-N 2 2 189.218 1.305 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1C[C@@H](C)S[C@H](C)C1 69910151 343455701 /nfs/dbraw/zinc/45/57/01/343455701.db2.gz LGDLMHSUWAZNNG-IWSPIJDZSA-N 2 2 188.340 1.159 10 0 ADAELP C[NH2+]CC[NH+]1C[C@H](C)S[C@@H](C)C1 69908606 343455759 /nfs/dbraw/zinc/45/57/59/343455759.db2.gz ZLCFJABNCGFJPJ-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@@H+]1C[C@H](C)S[C@H](C)C1 69908605 343455818 /nfs/dbraw/zinc/45/58/18/343455818.db2.gz ZLCFJABNCGFJPJ-DTORHVGOSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+]CC[N@H+]1C[C@H](C)S[C@H](C)C1 69908605 343455819 /nfs/dbraw/zinc/45/58/19/343455819.db2.gz ZLCFJABNCGFJPJ-DTORHVGOSA-N 2 2 188.340 1.032 10 0 ADAELP C[C@@H](C[NH3+])[NH+]1C[C@@H](C)S[C@H](C)C1 69908155 343455825 /nfs/dbraw/zinc/45/58/25/343455825.db2.gz CZXVUUCEJLGYRC-DJLDLDEBSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]1C[NH+](C[C@@H](C)[NH3+])C[C@H](C)S1 69910150 343455977 /nfs/dbraw/zinc/45/59/77/343455977.db2.gz LGDLMHSUWAZNNG-VGMNWLOBSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]1C[N@@H+]([C@@H](C)C[NH3+])C[C@@H](C)S1 69908153 343455983 /nfs/dbraw/zinc/45/59/83/343455983.db2.gz CZXVUUCEJLGYRC-XHNCKOQMSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]1C[N@H+]([C@@H](C)C[NH3+])C[C@@H](C)S1 69908153 343455985 /nfs/dbraw/zinc/45/59/85/343455985.db2.gz CZXVUUCEJLGYRC-XHNCKOQMSA-N 2 2 188.340 1.159 10 0 ADAELP C[NH2+]CC[NH+]1C[C@@H](C)S[C@H](C)C1 69908607 343456025 /nfs/dbraw/zinc/45/60/25/343456025.db2.gz ZLCFJABNCGFJPJ-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCCCC[C@@H]1C 69944773 343459006 /nfs/dbraw/zinc/45/90/06/343459006.db2.gz AYBNYSZQWHJJPK-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCCCC[C@@H]1C 69944773 343459008 /nfs/dbraw/zinc/45/90/08/343459008.db2.gz AYBNYSZQWHJJPK-QWRGUYRKSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@@H]1CCCCC[N@@H+]1[C@@H]1CC[NH2+]C1 69944971 343459012 /nfs/dbraw/zinc/45/90/12/343459012.db2.gz QPGOLUDIDQKBCP-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CCCCC[N@H+]1[C@@H]1CC[NH2+]C1 69944971 343459013 /nfs/dbraw/zinc/45/90/13/343459013.db2.gz QPGOLUDIDQKBCP-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CCCCC[N@@H+]1CC(N)=[NH2+] 69945134 343459107 /nfs/dbraw/zinc/45/91/07/343459107.db2.gz YBDJTCYWGHIESH-MRVPVSSYSA-N 2 2 169.272 1.187 10 0 ADAELP C[C@@H]1CCCCC[N@H+]1CC(N)=[NH2+] 69945134 343459109 /nfs/dbraw/zinc/45/91/09/343459109.db2.gz YBDJTCYWGHIESH-MRVPVSSYSA-N 2 2 169.272 1.187 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCCCC[C@H]1C 69944671 343459151 /nfs/dbraw/zinc/45/91/51/343459151.db2.gz GVCMVHMQKAMIEH-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCCCC[C@H]1C 69944671 343459153 /nfs/dbraw/zinc/45/91/53/343459153.db2.gz GVCMVHMQKAMIEH-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1CCCCC[N@@H+]1[C@@H]1CC[NH2+]C1 69944972 343459168 /nfs/dbraw/zinc/45/91/68/343459168.db2.gz QPGOLUDIDQKBCP-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CCCCC[N@H+]1[C@@H]1CC[NH2+]C1 69944972 343459170 /nfs/dbraw/zinc/45/91/70/343459170.db2.gz QPGOLUDIDQKBCP-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CCCCC[C@H]1C 69944725 343459194 /nfs/dbraw/zinc/45/91/94/343459194.db2.gz XNDIKEQICRCHAX-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CCCCC[C@H]1C 69944725 343459196 /nfs/dbraw/zinc/45/91/96/343459196.db2.gz XNDIKEQICRCHAX-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@H]1CCCCC[N@H+]1C[C@@H](C)[NH3+] 69944726 343459239 /nfs/dbraw/zinc/45/92/39/343459239.db2.gz XNDIKEQICRCHAX-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@H]1CCCCC[N@@H+]1C[C@@H](C)[NH3+] 69944726 343459242 /nfs/dbraw/zinc/45/92/42/343459242.db2.gz XNDIKEQICRCHAX-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCCCC[C@@H]1C 69944672 343459315 /nfs/dbraw/zinc/45/93/15/343459315.db2.gz GVCMVHMQKAMIEH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCCCC[C@@H]1C 69944672 343459318 /nfs/dbraw/zinc/45/93/18/343459318.db2.gz GVCMVHMQKAMIEH-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1CCCCC[N@@H+]1CC(N)=[NH2+] 69945135 343459648 /nfs/dbraw/zinc/45/96/48/343459648.db2.gz YBDJTCYWGHIESH-QMMMGPOBSA-N 2 2 169.272 1.187 10 0 ADAELP C[C@H]1CCCCC[N@H+]1CC(N)=[NH2+] 69945135 343459651 /nfs/dbraw/zinc/45/96/51/343459651.db2.gz YBDJTCYWGHIESH-QMMMGPOBSA-N 2 2 169.272 1.187 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCCCC[C@H]1C 69945739 343459802 /nfs/dbraw/zinc/45/98/02/343459802.db2.gz AJRTUBMZJFXROQ-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCCCC[C@H]1C 69945739 343459803 /nfs/dbraw/zinc/45/98/03/343459803.db2.gz AJRTUBMZJFXROQ-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCCCC[C@@H]1C 69945740 343459921 /nfs/dbraw/zinc/45/99/21/343459921.db2.gz AJRTUBMZJFXROQ-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCCCC[C@@H]1C 69945740 343459923 /nfs/dbraw/zinc/45/99/23/343459923.db2.gz AJRTUBMZJFXROQ-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP Cc1cc(NC[C@@H]([NH3+])C(C)C)nc[nH+]1 70010510 343465268 /nfs/dbraw/zinc/46/52/68/343465268.db2.gz KVGSVHUKVYLREH-SECBINFHSA-N 2 2 194.282 1.180 10 0 ADAELP Cc1cc(NC[C@H]([NH3+])C(C)C)nc[nH+]1 70010506 343465664 /nfs/dbraw/zinc/46/56/64/343465664.db2.gz KVGSVHUKVYLREH-VIFPVBQESA-N 2 2 194.282 1.180 10 0 ADAELP Cc1cc[nH+]c(NC[C@H]([NH3+])C(C)C)c1 70010886 343465688 /nfs/dbraw/zinc/46/56/88/343465688.db2.gz NOVITYFIZZSDGB-JTQLQIEISA-N 2 2 193.294 1.785 10 0 ADAELP Cc1cc[nH+]c(NC[C@@H]([NH3+])C(C)C)c1 70010890 343466103 /nfs/dbraw/zinc/46/61/03/343466103.db2.gz NOVITYFIZZSDGB-SNVBAGLBSA-N 2 2 193.294 1.785 10 0 ADAELP C[C@H]1C[NH2+]CC[C@@H]1n1cc[nH+]c1 70046947 343469490 /nfs/dbraw/zinc/46/94/90/343469490.db2.gz VCPZNWAVAKGJJD-IUCAKERBSA-N 2 2 165.240 1.054 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@@H]1n1cc[nH+]c1 70046945 343469656 /nfs/dbraw/zinc/46/96/56/343469656.db2.gz VCPZNWAVAKGJJD-BDAKNGLRSA-N 2 2 165.240 1.054 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@H]1n1cc[nH+]c1 70046948 343469681 /nfs/dbraw/zinc/46/96/81/343469681.db2.gz VCPZNWAVAKGJJD-RKDXNWHRSA-N 2 2 165.240 1.054 10 0 ADAELP C[C@H]1C[NH2+]CC[C@H]1n1cc[nH+]c1 70046950 343469739 /nfs/dbraw/zinc/46/97/39/343469739.db2.gz VCPZNWAVAKGJJD-DTWKUNHWSA-N 2 2 165.240 1.054 10 0 ADAELP Cc1c[nH+]ccc1-n1cc[nH+]c1C 70048279 343470251 /nfs/dbraw/zinc/47/02/51/343470251.db2.gz ZMQHBWZRMMEXFX-UHFFFAOYSA-N 2 2 173.219 1.884 10 0 ADAELP C[N@H+](CC1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] 70073152 343473851 /nfs/dbraw/zinc/47/38/51/343473851.db2.gz ONCADEZUKRAETO-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CCCC1)[C@@H]1CCC[C@@H]1[NH3+] 70073152 343473855 /nfs/dbraw/zinc/47/38/55/343473855.db2.gz ONCADEZUKRAETO-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1[NH3+] 70145024 343474927 /nfs/dbraw/zinc/47/49/27/343474927.db2.gz GRQRNRVVGBIMJR-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@H+](C2CCCCC2)C[C@@H]1[NH3+] 70145024 343474929 /nfs/dbraw/zinc/47/49/29/343474929.db2.gz GRQRNRVVGBIMJR-JQWIXIFHSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1[NH3+] 70145023 343475078 /nfs/dbraw/zinc/47/50/78/343475078.db2.gz GRQRNRVVGBIMJR-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1[NH3+] 70145023 343475082 /nfs/dbraw/zinc/47/50/82/343475082.db2.gz GRQRNRVVGBIMJR-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP CC[NH2+][C@H]1CCC[N@@H+]([C@@H]2CC2(C)C)C1 70585879 343496994 /nfs/dbraw/zinc/49/69/94/343496994.db2.gz ZVHNCNPJGIHKNF-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@H]1CCC[N@H+]([C@@H]2CC2(C)C)C1 70585879 343496996 /nfs/dbraw/zinc/49/69/96/343496996.db2.gz ZVHNCNPJGIHKNF-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 70585562 343497031 /nfs/dbraw/zinc/49/70/31/343497031.db2.gz DYPHALYSLNPKGP-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C1CC([N@@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 70585399 343497051 /nfs/dbraw/zinc/49/70/51/343497051.db2.gz PIXWGTVWVAGVPG-JTQLQIEISA-N 2 2 180.295 1.365 10 0 ADAELP C1CC([N@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 70585399 343497053 /nfs/dbraw/zinc/49/70/53/343497053.db2.gz PIXWGTVWVAGVPG-JTQLQIEISA-N 2 2 180.295 1.365 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 70585881 343497067 /nfs/dbraw/zinc/49/70/67/343497067.db2.gz QVGKTOLQILHUTM-WDEREUQCSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 70585881 343497069 /nfs/dbraw/zinc/49/70/69/343497069.db2.gz QVGKTOLQILHUTM-WDEREUQCSA-N 2 2 196.338 1.857 10 0 ADAELP C1CC([N@@H+]2CCC[C@@H]([NH2+]C3CC3)C2)C1 70585406 343497142 /nfs/dbraw/zinc/49/71/42/343497142.db2.gz AAPMQNQTEFGKEA-LLVKDONJSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC([N@H+]2CCC[C@@H]([NH2+]C3CC3)C2)C1 70585406 343497143 /nfs/dbraw/zinc/49/71/43/343497143.db2.gz AAPMQNQTEFGKEA-LLVKDONJSA-N 2 2 194.322 1.755 10 0 ADAELP [NH3+][C@@H]1CCC[N@@H+](C(C2CC2)C2CC2)C1 70586283 343497148 /nfs/dbraw/zinc/49/71/48/343497148.db2.gz AZDOFNKEEAXEEF-LLVKDONJSA-N 2 2 194.322 1.598 10 0 ADAELP [NH3+][C@@H]1CCC[N@H+](C(C2CC2)C2CC2)C1 70586283 343497151 /nfs/dbraw/zinc/49/71/51/343497151.db2.gz AZDOFNKEEAXEEF-LLVKDONJSA-N 2 2 194.322 1.598 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@@H+](C2CCC2)C1 70585395 343497183 /nfs/dbraw/zinc/49/71/83/343497183.db2.gz JOUMLQYXTARDOT-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@H+](C2CCC2)C1 70585395 343497184 /nfs/dbraw/zinc/49/71/84/343497184.db2.gz JOUMLQYXTARDOT-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC[NH2+][C@H]1CCC[N@@H+](C2CCC2)C1 70585396 343497218 /nfs/dbraw/zinc/49/72/18/343497218.db2.gz JOUMLQYXTARDOT-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC[NH2+][C@H]1CCC[N@H+](C2CCC2)C1 70585396 343497220 /nfs/dbraw/zinc/49/72/20/343497220.db2.gz JOUMLQYXTARDOT-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP [NH3+][C@H]1CCC[N@@H+](C(C2CC2)C2CC2)C1 70586282 343497228 /nfs/dbraw/zinc/49/72/28/343497228.db2.gz AZDOFNKEEAXEEF-NSHDSACASA-N 2 2 194.322 1.598 10 0 ADAELP [NH3+][C@H]1CCC[N@H+](C(C2CC2)C2CC2)C1 70586282 343497229 /nfs/dbraw/zinc/49/72/29/343497229.db2.gz AZDOFNKEEAXEEF-NSHDSACASA-N 2 2 194.322 1.598 10 0 ADAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C2CC2)C1 70584740 343497234 /nfs/dbraw/zinc/49/72/34/343497234.db2.gz OCTFTDGOYJOUJA-LLVKDONJSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@H+]1CCC[C@@H]([NH2+]C2CC2)C1 70584740 343497236 /nfs/dbraw/zinc/49/72/36/343497236.db2.gz OCTFTDGOYJOUJA-LLVKDONJSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)C1 70585880 343497241 /nfs/dbraw/zinc/49/72/41/343497241.db2.gz QVGKTOLQILHUTM-GHMZBOCLSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 70585880 343497243 /nfs/dbraw/zinc/49/72/43/343497243.db2.gz QVGKTOLQILHUTM-GHMZBOCLSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 70584739 343497270 /nfs/dbraw/zinc/49/72/70/343497270.db2.gz OCTFTDGOYJOUJA-NSHDSACASA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 70584739 343497271 /nfs/dbraw/zinc/49/72/71/343497271.db2.gz OCTFTDGOYJOUJA-NSHDSACASA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 70585564 343497279 /nfs/dbraw/zinc/49/72/79/343497279.db2.gz DYPHALYSLNPKGP-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 70585564 343497281 /nfs/dbraw/zinc/49/72/81/343497281.db2.gz DYPHALYSLNPKGP-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)[NH2+][C@H]1CCC[N@@H+](C2CC2)C1 70584368 343497289 /nfs/dbraw/zinc/49/72/89/343497289.db2.gz CRIPBWDJNSUOGM-JTQLQIEISA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[NH2+][C@H]1CCC[N@H+](C2CC2)C1 70584368 343497291 /nfs/dbraw/zinc/49/72/91/343497291.db2.gz CRIPBWDJNSUOGM-JTQLQIEISA-N 2 2 182.311 1.611 10 0 ADAELP CCC(C)(C)[N@@H+]1CCC[C@H]([NH2+]C)C1 70584431 343497313 /nfs/dbraw/zinc/49/73/13/343497313.db2.gz WNAVAADMQHZBHK-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@H+]1CCC[C@H]([NH2+]C)C1 70584431 343497314 /nfs/dbraw/zinc/49/73/14/343497314.db2.gz WNAVAADMQHZBHK-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@@H+]1CCC[C@@H]([NH2+]C)C1 70584432 343497319 /nfs/dbraw/zinc/49/73/19/343497319.db2.gz WNAVAADMQHZBHK-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@H+]1CCC[C@@H]([NH2+]C)C1 70584432 343497320 /nfs/dbraw/zinc/49/73/20/343497320.db2.gz WNAVAADMQHZBHK-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 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70644829 343515989 /nfs/dbraw/zinc/51/59/89/343515989.db2.gz LRBHUYCNIDZSGW-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 70644822 343516062 /nfs/dbraw/zinc/51/60/62/343516062.db2.gz PJTLHROOVHWUNR-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)C1 70644822 343516065 /nfs/dbraw/zinc/51/60/65/343516065.db2.gz PJTLHROOVHWUNR-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 70644823 343516112 /nfs/dbraw/zinc/51/61/12/343516112.db2.gz PJTLHROOVHWUNR-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)C1 70644823 343516114 /nfs/dbraw/zinc/51/61/14/343516114.db2.gz PJTLHROOVHWUNR-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 70644827 343516128 /nfs/dbraw/zinc/51/61/28/343516128.db2.gz LRBHUYCNIDZSGW-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)C1 70644827 343516131 /nfs/dbraw/zinc/51/61/31/343516131.db2.gz LRBHUYCNIDZSGW-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1c[nH+]ccc1NCc1[nH]cc[nH+]1 70646548 343517287 /nfs/dbraw/zinc/51/72/87/343517287.db2.gz QETWDNDSHZPUIH-UHFFFAOYSA-N 2 2 188.234 1.725 10 0 ADAELP [NH3+]C1(COc2cc[nH+]cc2)CCCC1 70876118 343538328 /nfs/dbraw/zinc/53/83/28/343538328.db2.gz BQXGUQQOSODXRI-UHFFFAOYSA-N 2 2 192.262 1.732 10 0 ADAELP CC[C@@](C)(C[NH3+])Nc1cc[nH+]c(C)n1 70895208 343539786 /nfs/dbraw/zinc/53/97/86/343539786.db2.gz AONPBMGRPHGOHU-JTQLQIEISA-N 2 2 194.282 1.324 10 0 ADAELP CC[C@](C)(C[NH3+])Nc1cc[nH+]c(C)n1 70895216 343540124 /nfs/dbraw/zinc/54/01/24/343540124.db2.gz AONPBMGRPHGOHU-SNVBAGLBSA-N 2 2 194.282 1.324 10 0 ADAELP Cc1cc[nH+]cc1N1CC[C@@H](C[NH3+])C1 70958809 343544825 /nfs/dbraw/zinc/54/48/25/343544825.db2.gz DBLXDBVKTAKRPN-JTQLQIEISA-N 2 2 191.278 1.175 10 0 ADAELP Cc1cc[nH+]cc1N1CC[C@H](C[NH3+])C1 70958805 343544848 /nfs/dbraw/zinc/54/48/48/343544848.db2.gz DBLXDBVKTAKRPN-SNVBAGLBSA-N 2 2 191.278 1.175 10 0 ADAELP Cc1cn(-c2cc[nH+]c(N)c2)c[nH+]1 72192450 343559899 /nfs/dbraw/zinc/55/98/99/343559899.db2.gz SRLLAXRKUMVFOQ-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP Cc1[nH+]ccn1-c1cc[nH+]c(N)c1 72192449 343560102 /nfs/dbraw/zinc/56/01/02/343560102.db2.gz MORQYNLMDNNWDK-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP Cc1ccc(F)cc1[C@H]([NH3+])C[NH3+] 72200035 343561084 /nfs/dbraw/zinc/56/10/84/343561084.db2.gz HMYXJAKKNGYFTH-SECBINFHSA-N 2 2 168.215 1.093 10 0 ADAELP Cc1cccc(Cl)c1[C@H]([NH3+])C[NH3+] 72200237 343561164 /nfs/dbraw/zinc/56/11/64/343561164.db2.gz AFSOKBFCKMNZIY-MRVPVSSYSA-N 2 2 184.670 1.607 10 0 ADAELP Cc1cc(C)c([C@H]([NH3+])C[NH3+])cc1C 72200109 343561242 /nfs/dbraw/zinc/56/12/42/343561242.db2.gz ZURLNKNDZXTPFH-LLVKDONJSA-N 2 2 178.279 1.570 10 0 ADAELP Cc1cccc(Cl)c1[C@@H]([NH3+])C[NH3+] 72200238 343561295 /nfs/dbraw/zinc/56/12/95/343561295.db2.gz AFSOKBFCKMNZIY-QMMMGPOBSA-N 2 2 184.670 1.607 10 0 ADAELP Cc1cc(Cl)cc([C@H]([NH3+])C[NH3+])c1 72200241 343561303 /nfs/dbraw/zinc/56/13/03/343561303.db2.gz LMDPBEZYYFYPFS-SECBINFHSA-N 2 2 184.670 1.607 10 0 ADAELP Cc1c(F)cccc1[C@H]([NH3+])C[NH3+] 72200031 343561482 /nfs/dbraw/zinc/56/14/82/343561482.db2.gz DQCXMQBPRBGZHD-SECBINFHSA-N 2 2 168.215 1.093 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[NH3+])c(F)c1F 72200271 343561488 /nfs/dbraw/zinc/56/14/88/343561488.db2.gz IXIFXHIONFMHJE-SSDOTTSWSA-N 2 2 186.205 1.232 10 0 ADAELP Cc1ccc(F)cc1[C@@H]([NH3+])C[NH3+] 72200036 343561511 /nfs/dbraw/zinc/56/15/11/343561511.db2.gz HMYXJAKKNGYFTH-VIFPVBQESA-N 2 2 168.215 1.093 10 0 ADAELP Cc1cc(C)c([C@@H]([NH3+])C[NH3+])cc1C 72200110 343561552 /nfs/dbraw/zinc/56/15/52/343561552.db2.gz ZURLNKNDZXTPFH-NSHDSACASA-N 2 2 178.279 1.570 10 0 ADAELP Cc1c(F)cccc1[C@@H]([NH3+])C[NH3+] 72200032 343561566 /nfs/dbraw/zinc/56/15/66/343561566.db2.gz DQCXMQBPRBGZHD-VIFPVBQESA-N 2 2 168.215 1.093 10 0 ADAELP Cc1cc(Cl)cc([C@@H]([NH3+])C[NH3+])c1 72200242 343561571 /nfs/dbraw/zinc/56/15/71/343561571.db2.gz LMDPBEZYYFYPFS-VIFPVBQESA-N 2 2 184.670 1.607 10 0 ADAELP CC[C@H]([NH3+])c1ccc2[nH+]ccn2c1 74308528 343572120 /nfs/dbraw/zinc/57/21/20/343572120.db2.gz MSQCSYSCYSDWTN-VIFPVBQESA-N 2 2 175.235 1.744 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@@H+]1CCC[NH2+]CC1 76581744 343579369 /nfs/dbraw/zinc/57/93/69/343579369.db2.gz INXHJPKVQPQSJN-SNVBAGLBSA-N 2 2 193.294 1.371 10 0 ADAELP Cc1cc(NC(=O)C[C@H](C)[NH3+])cc[nH+]1 82249212 343596532 /nfs/dbraw/zinc/59/65/32/343596532.db2.gz XGHWXLFFQPBMJQ-ZETCQYMHSA-N 2 2 193.250 1.066 10 0 ADAELP Cc1cccc(N[C@H](C)C[NH3+])[nH+]1 82576344 343606901 /nfs/dbraw/zinc/60/69/01/343606901.db2.gz DVCDCOCHIUJTQI-MRVPVSSYSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1cc[nH+]c(N[C@H](C)C[NH3+])c1 82576581 343606960 /nfs/dbraw/zinc/60/69/60/343606960.db2.gz FASWTSORHTZZCD-MRVPVSSYSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1cn(C2CC[NH2+]CC2)c[nH+]1 82655499 343608905 /nfs/dbraw/zinc/60/89/05/343608905.db2.gz FXYIAIBTFGCLCB-UHFFFAOYSA-N 2 2 165.240 1.116 10 0 ADAELP C[C@H]1Cc2ccccc2C[N@@H+]1CC[NH3+] 82791052 343612357 /nfs/dbraw/zinc/61/23/57/343612357.db2.gz CQXGKEUCRVMOMW-JTQLQIEISA-N 2 2 190.290 1.392 10 0 ADAELP C[C@H]1Cc2ccccc2C[N@H+]1CC[NH3+] 82791052 343612360 /nfs/dbraw/zinc/61/23/60/343612360.db2.gz CQXGKEUCRVMOMW-JTQLQIEISA-N 2 2 190.290 1.392 10 0 ADAELP Cc1[nH+]c2ccc(C[NH3+])cc2n1C 82868660 343614775 /nfs/dbraw/zinc/61/47/75/343614775.db2.gz GIKKBNKHCLOZPS-UHFFFAOYSA-N 2 2 175.235 1.340 10 0 ADAELP CC(C)[C@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C1 83824310 343625049 /nfs/dbraw/zinc/62/50/49/343625049.db2.gz UDHKBUAVTIRAEP-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C1 83824310 343625050 /nfs/dbraw/zinc/62/50/50/343625050.db2.gz UDHKBUAVTIRAEP-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C1 83824309 343625169 /nfs/dbraw/zinc/62/51/69/343625169.db2.gz UDHKBUAVTIRAEP-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C1 83824309 343625171 /nfs/dbraw/zinc/62/51/71/343625171.db2.gz UDHKBUAVTIRAEP-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+]C[C@H]1CCC[C@H]1Nc1cccc[nH+]1 84212837 343631564 /nfs/dbraw/zinc/63/15/64/343631564.db2.gz FPSPRWFQUIVSEM-NXEZZACHSA-N 2 2 191.278 1.621 10 0 ADAELP [NH3+]C[C@H]1CCC[C@@H]1Nc1cccc[nH+]1 84212838 343631673 /nfs/dbraw/zinc/63/16/73/343631673.db2.gz FPSPRWFQUIVSEM-ZJUUUORDSA-N 2 2 191.278 1.621 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@@H]1Nc1cccc[nH+]1 84212840 343631698 /nfs/dbraw/zinc/63/16/98/343631698.db2.gz FPSPRWFQUIVSEM-UWVGGRQHSA-N 2 2 191.278 1.621 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@H]1Nc1cccc[nH+]1 84212839 343631809 /nfs/dbraw/zinc/63/18/09/343631809.db2.gz FPSPRWFQUIVSEM-VHSXEESVSA-N 2 2 191.278 1.621 10 0 ADAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccs1 84360157 343635131 /nfs/dbraw/zinc/63/51/31/343635131.db2.gz JJYYDIZJMZAMHG-WCBMZHEXSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccs1 84360157 343635133 /nfs/dbraw/zinc/63/51/33/343635133.db2.gz JJYYDIZJMZAMHG-WCBMZHEXSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccs1 84360163 343635256 /nfs/dbraw/zinc/63/52/56/343635256.db2.gz JJYYDIZJMZAMHG-WPRPVWTQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccs1 84360163 343635257 /nfs/dbraw/zinc/63/52/57/343635257.db2.gz JJYYDIZJMZAMHG-WPRPVWTQSA-N 2 2 196.319 1.670 10 0 ADAELP Cc1cscc1C[NH2+][C@@H]1CC[NH2+]C1 87309664 343659306 /nfs/dbraw/zinc/65/93/06/343659306.db2.gz HWAMLHKJOLNTPS-SNVBAGLBSA-N 2 2 196.319 1.508 10 0 ADAELP Cc1cscc1C[NH2+][C@H]1CC[NH2+]C1 87309665 343659489 /nfs/dbraw/zinc/65/94/89/343659489.db2.gz HWAMLHKJOLNTPS-JTQLQIEISA-N 2 2 196.319 1.508 10 0 ADAELP Cc1[nH+]cc2cncc(C[NH+](C)C)n12 89195429 343672425 /nfs/dbraw/zinc/67/24/25/343672425.db2.gz GIJSDAVEOQXDMU-UHFFFAOYSA-N 2 2 190.250 1.099 10 0 ADAELP CC[C@@H]([NH3+])Oc1cccc2[nH+]ccn12 89201247 343672844 /nfs/dbraw/zinc/67/28/44/343672844.db2.gz ONKWTQFGYXEAGW-QMMMGPOBSA-N 2 2 191.234 1.408 10 0 ADAELP C[C@H](c1cccs1)[N@@H+]1CC[C@@H]([NH3+])C1 95068265 343678429 /nfs/dbraw/zinc/67/84/29/343678429.db2.gz AUIPUHZQNODGTN-RKDXNWHRSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc[nH]1 95068252 343678399 /nfs/dbraw/zinc/67/83/99/343678399.db2.gz JXNRTNLTDSNFGB-UWVGGRQHSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@H](c1cccs1)[N@H+]1CC[C@@H]([NH3+])C1 95068265 343678431 /nfs/dbraw/zinc/67/84/31/343678431.db2.gz AUIPUHZQNODGTN-RKDXNWHRSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@H](c1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 95068263 343678504 /nfs/dbraw/zinc/67/85/04/343678504.db2.gz LVWBBENZTBLSGY-RKDXNWHRSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc[nH]1 95068242 343678616 /nfs/dbraw/zinc/67/86/16/343678616.db2.gz JXNRTNLTDSNFGB-VHSXEESVSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc[nH]1 95068256 343678625 /nfs/dbraw/zinc/67/86/25/343678625.db2.gz YCNPQCQSASXABC-IUCAKERBSA-N 2 2 179.267 1.027 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@@H+]1CC[C@@H]([NH3+])C1 95068261 343678694 /nfs/dbraw/zinc/67/86/94/343678694.db2.gz FHHATRIPXJVREZ-RKDXNWHRSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@H+]1CC[C@@H]([NH3+])C1 95068261 343678697 /nfs/dbraw/zinc/67/86/97/343678697.db2.gz FHHATRIPXJVREZ-RKDXNWHRSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc[nH]1 95068246 343678734 /nfs/dbraw/zinc/67/87/34/343678734.db2.gz YCNPQCQSASXABC-DTWKUNHWSA-N 2 2 179.267 1.027 10 0 ADAELP C[C@H](c1ccco1)[N@@H+]1CCC[C@@H]1C[NH3+] 95068287 343678997 /nfs/dbraw/zinc/67/89/97/343678997.db2.gz ULBXFDWVQCMLHL-NXEZZACHSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccco1)[N@H+]1CCC[C@@H]1C[NH3+] 95068287 343678999 /nfs/dbraw/zinc/67/89/99/343678999.db2.gz ULBXFDWVQCMLHL-NXEZZACHSA-N 2 2 194.278 1.764 10 0 ADAELP CN(C[C@@H]1CC[NH2+]C1)c1cccc[nH+]1 95071226 343679029 /nfs/dbraw/zinc/67/90/29/343679029.db2.gz ZOSUWEIEMWCGJM-SNVBAGLBSA-N 2 2 191.278 1.127 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@@H+]1CC[C@H]([NH3+])C1 95068273 343679073 /nfs/dbraw/zinc/67/90/73/343679073.db2.gz FHHATRIPXJVREZ-BDAKNGLRSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@H+]1CC[C@H]([NH3+])C1 95068273 343679075 /nfs/dbraw/zinc/67/90/75/343679075.db2.gz FHHATRIPXJVREZ-BDAKNGLRSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@H]([NH3+])C1 95068282 343679085 /nfs/dbraw/zinc/67/90/85/343679085.db2.gz NSIODMHKVQUXIN-UWVGGRQHSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@H+]1CCC[C@H]([NH3+])C1 95068282 343679087 /nfs/dbraw/zinc/67/90/87/343679087.db2.gz NSIODMHKVQUXIN-UWVGGRQHSA-N 2 2 193.294 1.499 10 0 ADAELP CN(C[C@H]1CC[NH2+]C1)c1cccc[nH+]1 95071227 343679111 /nfs/dbraw/zinc/67/91/11/343679111.db2.gz ZOSUWEIEMWCGJM-JTQLQIEISA-N 2 2 191.278 1.127 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@H]([NH3+])C1 95068283 343679132 /nfs/dbraw/zinc/67/91/32/343679132.db2.gz NSIODMHKVQUXIN-ZJUUUORDSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@H+]1CCC[C@H]([NH3+])C1 95068283 343679134 /nfs/dbraw/zinc/67/91/34/343679134.db2.gz NSIODMHKVQUXIN-ZJUUUORDSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc[nH]1 95068350 343679169 /nfs/dbraw/zinc/67/91/69/343679169.db2.gz MMSSIMBWAXIXSQ-VHSXEESVSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H]1C[NH3+] 95068285 343679189 /nfs/dbraw/zinc/67/91/89/343679189.db2.gz QWXRUWKDJAGSJE-NXEZZACHSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@H+]1CCC[C@@H]1C[NH3+] 95068285 343679191 /nfs/dbraw/zinc/67/91/91/343679191.db2.gz QWXRUWKDJAGSJE-NXEZZACHSA-N 2 2 193.294 1.499 10 0 ADAELP C[NH+]1CCC[C@@H]1C1=C[N@H+](C)CC=C1 95934750 343691605 /nfs/dbraw/zinc/69/16/05/343691605.db2.gz PRRASKPBIFQCPM-LLVKDONJSA-N 2 2 178.279 1.466 10 0 ADAELP C[NH+]1C=C([C@H]2CCC[N@H+]2C)C=CC1 95934750 343691601 /nfs/dbraw/zinc/69/16/01/343691601.db2.gz PRRASKPBIFQCPM-LLVKDONJSA-N 2 2 178.279 1.466 10 0 ADAELP C[NH+]1C=C([C@H]2CCC[N@@H+]2C)C=CC1 95934750 343691603 /nfs/dbraw/zinc/69/16/03/343691603.db2.gz PRRASKPBIFQCPM-LLVKDONJSA-N 2 2 178.279 1.466 10 0 ADAELP C[NH+]1CCC[C@@H]1C1=C[N@@H+](C)CC=C1 95934750 343691608 /nfs/dbraw/zinc/69/16/08/343691608.db2.gz PRRASKPBIFQCPM-LLVKDONJSA-N 2 2 178.279 1.466 10 0 ADAELP CC(C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 95935375 343691639 /nfs/dbraw/zinc/69/16/39/343691639.db2.gz UOLJPPVDJCZFGD-UHFFFAOYSA-N 2 2 193.294 1.998 10 0 ADAELP C[NH+]1C=C([C@@H]2CCC[N@H+]2C)C=CC1 95934751 343691697 /nfs/dbraw/zinc/69/16/97/343691697.db2.gz PRRASKPBIFQCPM-NSHDSACASA-N 2 2 178.279 1.466 10 0 ADAELP C[NH+]1C=C([C@@H]2CCC[N@@H+]2C)C=CC1 95934751 343691700 /nfs/dbraw/zinc/69/17/00/343691700.db2.gz PRRASKPBIFQCPM-NSHDSACASA-N 2 2 178.279 1.466 10 0 ADAELP C[NH+]1CCC[C@H]1C1=C[N@H+](C)CC=C1 95934751 343691701 /nfs/dbraw/zinc/69/17/01/343691701.db2.gz PRRASKPBIFQCPM-NSHDSACASA-N 2 2 178.279 1.466 10 0 ADAELP C[NH+]1CCC[C@H]1C1=C[N@@H+](C)CC=C1 95934751 343691704 /nfs/dbraw/zinc/69/17/04/343691704.db2.gz PRRASKPBIFQCPM-NSHDSACASA-N 2 2 178.279 1.466 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H](n2cc[nH+]c2)C1 98018178 343704829 /nfs/dbraw/zinc/70/48/29/343704829.db2.gz NDNCNVTYUHPCHH-IUCAKERBSA-N 2 2 165.240 1.054 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H](n2cc[nH+]c2)C1 98018180 343705051 /nfs/dbraw/zinc/70/50/51/343705051.db2.gz NDNCNVTYUHPCHH-DTWKUNHWSA-N 2 2 165.240 1.054 10 0 ADAELP C[C@H]1C[NH2+]C[C@H](n2cc[nH+]c2)C1 98018179 343705060 /nfs/dbraw/zinc/70/50/60/343705060.db2.gz NDNCNVTYUHPCHH-RKDXNWHRSA-N 2 2 165.240 1.054 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H]([NH3+])C1 100256867 343714154 /nfs/dbraw/zinc/71/41/54/343714154.db2.gz NSIODMHKVQUXIN-NXEZZACHSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@H+]1CCC[C@@H]([NH3+])C1 100256867 343714156 /nfs/dbraw/zinc/71/41/56/343714156.db2.gz NSIODMHKVQUXIN-NXEZZACHSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H](c1ccco1)[N@@H+]1CCC[C@@H]([NH3+])C1 100256876 343714289 /nfs/dbraw/zinc/71/42/89/343714289.db2.gz MPPFWTRDJCNLMV-NXEZZACHSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccco1)[N@H+]1CCC[C@@H]([NH3+])C1 100256876 343714290 /nfs/dbraw/zinc/71/42/90/343714290.db2.gz MPPFWTRDJCNLMV-NXEZZACHSA-N 2 2 194.278 1.764 10 0 ADAELP C[NH2+]Cc1cccn2cc(C)[nH+]c12 107164630 343745703 /nfs/dbraw/zinc/74/57/03/343745703.db2.gz AVPNOWMBIBQPBD-UHFFFAOYSA-N 2 2 175.235 1.362 10 0 ADAELP Cc1ccn2c(C)[nH+]c(C[NH3+])c2c1 107164756 343745742 /nfs/dbraw/zinc/74/57/42/343745742.db2.gz WTWFNGDKPONLQD-UHFFFAOYSA-N 2 2 175.235 1.410 10 0 ADAELP Cc1cccn2c(C)[nH+]c(C[NH3+])c12 107164752 343746003 /nfs/dbraw/zinc/74/60/03/343746003.db2.gz CPHMZFVWDAMLSR-UHFFFAOYSA-N 2 2 175.235 1.410 10 0 ADAELP Cc1cccc2c(C[NH3+])[nH+]c(C)n12 107164762 343746044 /nfs/dbraw/zinc/74/60/44/343746044.db2.gz FUIVBFSPJYDOAP-UHFFFAOYSA-N 2 2 175.235 1.410 10 0 ADAELP [NH3+]CCCNc1cc[nH+]c(C2CC2)n1 107179947 343746879 /nfs/dbraw/zinc/74/68/79/343746879.db2.gz BXSHTBNMCOMQGD-UHFFFAOYSA-N 2 2 192.266 1.115 10 0 ADAELP C[C@H]([NH3+])CNc1ccc2c([nH+]1)CCC2 107177888 343746884 /nfs/dbraw/zinc/74/68/84/343746884.db2.gz OPTGIZOOKGYILT-QMMMGPOBSA-N 2 2 191.278 1.329 10 0 ADAELP C[C@@H]([NH3+])CNc1ccc2c([nH+]1)CCC2 107177890 343746981 /nfs/dbraw/zinc/74/69/81/343746981.db2.gz OPTGIZOOKGYILT-MRVPVSSYSA-N 2 2 191.278 1.329 10 0 ADAELP C[NH2+]CC[C@@H]1c2ccccc2C[N@H+]1C 108301142 343751630 /nfs/dbraw/zinc/75/16/30/343751630.db2.gz FIFIMEIVLMRPOV-GFCCVEGCSA-N 2 2 190.290 1.783 10 0 ADAELP C[NH2+]CC[C@@H]1c2ccccc2C[N@@H+]1C 108301142 343751631 /nfs/dbraw/zinc/75/16/31/343751631.db2.gz FIFIMEIVLMRPOV-GFCCVEGCSA-N 2 2 190.290 1.783 10 0 ADAELP C[NH2+]CC[C@H]1c2ccccc2C[N@H+]1C 108301145 343751726 /nfs/dbraw/zinc/75/17/26/343751726.db2.gz FIFIMEIVLMRPOV-LBPRGKRZSA-N 2 2 190.290 1.783 10 0 ADAELP C[NH2+]CC[C@H]1c2ccccc2C[N@@H+]1C 108301145 343751730 /nfs/dbraw/zinc/75/17/30/343751730.db2.gz FIFIMEIVLMRPOV-LBPRGKRZSA-N 2 2 190.290 1.783 10 0 ADAELP CC[C@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C1 113336947 343758275 /nfs/dbraw/zinc/75/82/75/343758275.db2.gz RFNGOJBXEZMVJI-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1 113336947 343758277 /nfs/dbraw/zinc/75/82/77/343758277.db2.gz RFNGOJBXEZMVJI-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C1 113336945 343758285 /nfs/dbraw/zinc/75/82/85/343758285.db2.gz RFNGOJBXEZMVJI-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1 113336945 343758286 /nfs/dbraw/zinc/75/82/86/343758286.db2.gz RFNGOJBXEZMVJI-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)C2 115450394 343767310 /nfs/dbraw/zinc/76/73/10/343767310.db2.gz PQUOTRWVYDFMHN-VXGBXAGGSA-N 2 2 188.274 1.220 10 0 ADAELP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1)C2 115450394 343767311 /nfs/dbraw/zinc/76/73/11/343767311.db2.gz PQUOTRWVYDFMHN-VXGBXAGGSA-N 2 2 188.274 1.220 10 0 ADAELP CC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C 116321074 343768900 /nfs/dbraw/zinc/76/89/00/343768900.db2.gz VMBPUDOWJCJJQJ-RKDXNWHRSA-N 2 2 158.289 1.325 10 0 ADAELP CC[C@H](C)[NH2+][C@H](C)C[NH+](C)C 116321076 343768960 /nfs/dbraw/zinc/76/89/60/343768960.db2.gz VMBPUDOWJCJJQJ-DTWKUNHWSA-N 2 2 158.289 1.325 10 0 ADAELP C1CCC2(CCCC[NH2+]2)[NH2+]C1 117138518 343772450 /nfs/dbraw/zinc/77/24/50/343772450.db2.gz FAFGYYOZBQJQEA-UHFFFAOYSA-N 2 2 154.257 1.230 10 0 ADAELP [NH3+]c1ccc(NC2CC[NH2+]CC2)cc1 118380582 343775323 /nfs/dbraw/zinc/77/53/23/343775323.db2.gz YFXCFEAKPVPMMR-UHFFFAOYSA-N 2 2 191.278 1.433 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@@H+]1C 126662286 343795516 /nfs/dbraw/zinc/79/55/16/343795516.db2.gz QBAKKGMWQIWYLF-KXUCPTDWSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)C[N@H+]1C 126662286 343795518 /nfs/dbraw/zinc/79/55/18/343795518.db2.gz QBAKKGMWQIWYLF-KXUCPTDWSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)C[N@@H+]1C 126662703 343795523 /nfs/dbraw/zinc/79/55/23/343795523.db2.gz QBAKKGMWQIWYLF-OPRDCNLKSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)C[N@H+]1C 126662703 343795525 /nfs/dbraw/zinc/79/55/25/343795525.db2.gz QBAKKGMWQIWYLF-OPRDCNLKSA-N 2 2 182.311 1.467 10 0 ADAELP CCCc1[nH]c2c([nH+]1)CCC[C@@H]2[NH3+] 126923448 343800301 /nfs/dbraw/zinc/80/03/01/343800301.db2.gz RBKKZXRGEPSATJ-ZETCQYMHSA-N 2 2 179.267 1.698 10 0 ADAELP CC(C)(C)[NH2+]C[C@H]1CSCC[NH2+]1 127076421 343803791 /nfs/dbraw/zinc/80/37/91/343803791.db2.gz LXPNQWPFKWSPSL-QMMMGPOBSA-N 2 2 188.340 1.080 10 0 ADAELP CC(C)(C)[NH2+]C[C@@H]1CSCC[NH2+]1 127076225 343803906 /nfs/dbraw/zinc/80/39/06/343803906.db2.gz LXPNQWPFKWSPSL-MRVPVSSYSA-N 2 2 188.340 1.080 10 0 ADAELP C[NH2+][C@H](C)Cn1c[nH+]c2c1CCCC2 127294541 343809023 /nfs/dbraw/zinc/80/90/23/343809023.db2.gz KIJWSGWWPWDCSN-SECBINFHSA-N 2 2 193.294 1.370 10 0 ADAELP C[NH2+][C@@H](C)Cn1c[nH+]c2c1CCCC2 127294332 343809238 /nfs/dbraw/zinc/80/92/38/343809238.db2.gz KIJWSGWWPWDCSN-VIFPVBQESA-N 2 2 193.294 1.370 10 0 ADAELP C[C@@H](C(N)=[NH2+])n1c[nH+]c2c1CCCC2 127338433 343810164 /nfs/dbraw/zinc/81/01/64/343810164.db2.gz IWCKNIGICGUEEQ-ZETCQYMHSA-N 2 2 192.266 1.259 10 0 ADAELP C[NH+](C)C[C@]1(C)CCCC[NH2+]1 127330577 343810183 /nfs/dbraw/zinc/81/01/83/343810183.db2.gz USAJRXILXJEMMA-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP C[N@H+](C1CCC1)[C@H]1CCCC[C@@H]1[NH3+] 127355986 343810231 /nfs/dbraw/zinc/81/02/31/343810231.db2.gz YEJFEKCCGIBEQH-QWRGUYRKSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@@H+](C1CCC1)[C@H]1CCCC[C@@H]1[NH3+] 127355986 343810232 /nfs/dbraw/zinc/81/02/32/343810232.db2.gz YEJFEKCCGIBEQH-QWRGUYRKSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H](C(N)=[NH2+])n1c[nH+]c2c1CCCC2 127338671 343810273 /nfs/dbraw/zinc/81/02/73/343810273.db2.gz IWCKNIGICGUEEQ-SSDOTTSWSA-N 2 2 192.266 1.259 10 0 ADAELP C[N@H+](C1CCC1)[C@@H]1CCCC[C@@H]1[NH3+] 127355726 343810427 /nfs/dbraw/zinc/81/04/27/343810427.db2.gz YEJFEKCCGIBEQH-WDEREUQCSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@@H+](C1CCC1)[C@@H]1CCCC[C@@H]1[NH3+] 127355726 343810429 /nfs/dbraw/zinc/81/04/29/343810429.db2.gz YEJFEKCCGIBEQH-WDEREUQCSA-N 2 2 182.311 1.741 10 0 ADAELP C[NH+](C)C[C@@]1(C)CCCC[NH2+]1 127330389 343810594 /nfs/dbraw/zinc/81/05/94/343810594.db2.gz USAJRXILXJEMMA-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)Cc1[nH]c2c([nH+]1)CCC[C@@H]2[NH3+] 127627832 343815731 /nfs/dbraw/zinc/81/57/31/343815731.db2.gz VBSHRGBKIBXMRS-QMMMGPOBSA-N 2 2 193.294 1.944 10 0 ADAELP CC(C)Cc1[nH]c2c([nH+]1)CCC[C@H]2[NH3+] 127627591 343815981 /nfs/dbraw/zinc/81/59/81/343815981.db2.gz VBSHRGBKIBXMRS-MRVPVSSYSA-N 2 2 193.294 1.944 10 0 ADAELP CN(c1cc[nH+]cc1C[NH3+])C1CCC1 127872660 343820500 /nfs/dbraw/zinc/82/05/00/343820500.db2.gz MHWHCOIYLBVLJJ-UHFFFAOYSA-N 2 2 191.278 1.529 10 0 ADAELP CCC(=[NH2+])N1C[C@@H](C)[NH+](C)[C@H](C)C1 128013505 343822809 /nfs/dbraw/zinc/82/28/09/343822809.db2.gz YAYVMNHXTJXSLD-RKDXNWHRSA-N 2 2 183.299 1.398 10 0 ADAELP CCC(=[NH2+])N1C[C@H](C)[N@H+](C)[C@H](C)C1 128013217 343823031 /nfs/dbraw/zinc/82/30/31/343823031.db2.gz YAYVMNHXTJXSLD-DTORHVGOSA-N 2 2 183.299 1.398 10 0 ADAELP CCC(=[NH2+])N1C[C@H](C)[N@@H+](C)[C@H](C)C1 128013217 343823034 /nfs/dbraw/zinc/82/30/34/343823034.db2.gz YAYVMNHXTJXSLD-DTORHVGOSA-N 2 2 183.299 1.398 10 0 ADAELP CCCC(=[NH2+])N1C[C@H](C)[N@H+](C)[C@H](C)C1 128013755 343823079 /nfs/dbraw/zinc/82/30/79/343823079.db2.gz NTZAVTFFJYOQIW-AOOOYVTPSA-N 2 2 197.326 1.788 10 0 ADAELP CCCC(=[NH2+])N1C[C@H](C)[N@@H+](C)[C@H](C)C1 128013755 343823082 /nfs/dbraw/zinc/82/30/82/343823082.db2.gz NTZAVTFFJYOQIW-AOOOYVTPSA-N 2 2 197.326 1.788 10 0 ADAELP CCCC(=[NH2+])N1C[C@@H](C)[NH+](C)[C@H](C)C1 128013953 343823137 /nfs/dbraw/zinc/82/31/37/343823137.db2.gz NTZAVTFFJYOQIW-NXEZZACHSA-N 2 2 197.326 1.788 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1coc2ccccc12 128725009 343836647 /nfs/dbraw/zinc/83/66/47/343836647.db2.gz LLTCNFZOJIBDPO-JTQLQIEISA-N 2 2 190.246 1.652 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1coc2ccccc12 128725260 343836734 /nfs/dbraw/zinc/83/67/34/343836734.db2.gz LLTCNFZOJIBDPO-SNVBAGLBSA-N 2 2 190.246 1.652 10 0 ADAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C 128873481 343839465 /nfs/dbraw/zinc/83/94/65/343839465.db2.gz LGFHQXJQESKPEK-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+]1C 128873719 343839503 /nfs/dbraw/zinc/83/95/03/343839503.db2.gz LGFHQXJQESKPEK-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@H+]1C 128873719 343839507 /nfs/dbraw/zinc/83/95/07/343839507.db2.gz LGFHQXJQESKPEK-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1cc(NC(C)(C)[C@H](C)[NH3+])nc[nH+]1 128955714 343841138 /nfs/dbraw/zinc/84/11/38/343841138.db2.gz CJBKRQQKACBNLB-QMMMGPOBSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1cc(NC(C)(C)[C@@H](C)[NH3+])nc[nH+]1 128955487 343841166 /nfs/dbraw/zinc/84/11/66/343841166.db2.gz CJBKRQQKACBNLB-MRVPVSSYSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1nc(NC(C)(C)[C@H](C)[NH3+])cc[nH+]1 128956185 343841243 /nfs/dbraw/zinc/84/12/43/343841243.db2.gz WBALYFNXEOGFIV-ZETCQYMHSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1nc(NC(C)(C)[C@@H](C)[NH3+])cc[nH+]1 128955924 343841449 /nfs/dbraw/zinc/84/14/49/343841449.db2.gz WBALYFNXEOGFIV-SSDOTTSWSA-N 2 2 194.282 1.323 10 0 ADAELP CCSCC[NH2+][C@@H](C)C[NH+](C)C 129071045 343844036 /nfs/dbraw/zinc/84/40/36/343844036.db2.gz YIIVXSUDRDXXIJ-VIFPVBQESA-N 2 2 190.356 1.279 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C2CCCC2)C[N@@H+]1C 129509150 343851839 /nfs/dbraw/zinc/85/18/39/343851839.db2.gz QTSMUBWXWGBXDB-KOLCDFICSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C2CCCC2)C[N@H+]1C 129509150 343851841 /nfs/dbraw/zinc/85/18/41/343851841.db2.gz QTSMUBWXWGBXDB-KOLCDFICSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C2CCCC2)C[N@@H+]1C 129509557 343851972 /nfs/dbraw/zinc/85/19/72/343851972.db2.gz QTSMUBWXWGBXDB-MWLCHTKSSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C2CCCC2)C[N@H+]1C 129509557 343851975 /nfs/dbraw/zinc/85/19/75/343851975.db2.gz QTSMUBWXWGBXDB-MWLCHTKSSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C2CCCC2)C[N@@H+]1C 129509769 343852051 /nfs/dbraw/zinc/85/20/51/343852051.db2.gz QTSMUBWXWGBXDB-GXSJLCMTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C2CCCC2)C[N@H+]1C 129509769 343852054 /nfs/dbraw/zinc/85/20/54/343852054.db2.gz QTSMUBWXWGBXDB-GXSJLCMTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C2CCCC2)C[N@@H+]1C 129509346 343852188 /nfs/dbraw/zinc/85/21/88/343852188.db2.gz QTSMUBWXWGBXDB-ONGXEEELSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C2CCCC2)C[N@H+]1C 129509346 343852189 /nfs/dbraw/zinc/85/21/89/343852189.db2.gz QTSMUBWXWGBXDB-ONGXEEELSA-N 2 2 182.311 1.611 10 0 ADAELP CCCC1C[NH+]([C@@H]2CCC[NH2+][C@H]2C)C1 129559841 343852958 /nfs/dbraw/zinc/85/29/58/343852958.db2.gz SNJRKPMDPHBPRM-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[N@H+]1CCC[C@H]1C 129560291 343853127 /nfs/dbraw/zinc/85/31/27/343853127.db2.gz UTIIDGYZMTXFIQ-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[N@@H+]1CCC[C@H]1C 129560291 343853128 /nfs/dbraw/zinc/85/31/28/343853128.db2.gz UTIIDGYZMTXFIQ-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 129745492 343855877 /nfs/dbraw/zinc/85/58/77/343855877.db2.gz FMJGZMDLVWQMSC-VWYCJHECSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 129745492 343855876 /nfs/dbraw/zinc/85/58/76/343855876.db2.gz FMJGZMDLVWQMSC-VWYCJHECSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 129745727 343855906 /nfs/dbraw/zinc/85/59/06/343855906.db2.gz FMJGZMDLVWQMSC-DCAQKATOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 129745727 343855907 /nfs/dbraw/zinc/85/59/07/343855907.db2.gz FMJGZMDLVWQMSC-DCAQKATOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 129745954 343856159 /nfs/dbraw/zinc/85/61/59/343856159.db2.gz FMJGZMDLVWQMSC-OUAUKWLOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 129745954 343856162 /nfs/dbraw/zinc/85/61/62/343856162.db2.gz FMJGZMDLVWQMSC-OUAUKWLOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C1 129746193 343856197 /nfs/dbraw/zinc/85/61/97/343856197.db2.gz FMJGZMDLVWQMSC-GARJFASQSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C1 129746193 343856201 /nfs/dbraw/zinc/85/62/01/343856201.db2.gz FMJGZMDLVWQMSC-GARJFASQSA-N 2 2 184.327 1.713 10 0 ADAELP CC[C@@H]([NH3+])c1c[nH+]cn1CC 130040692 343860473 /nfs/dbraw/zinc/86/04/73/343860473.db2.gz NFABMYCCPQEWOE-SSDOTTSWSA-N 2 2 153.229 1.313 10 0 ADAELP C[C@@H](C[NH+](C)C)Nc1ccc(N)c[nH+]1 130096150 343861921 /nfs/dbraw/zinc/86/19/21/343861921.db2.gz GBSKLMDUVZHVPB-QMMMGPOBSA-N 2 2 194.282 1.026 10 0 ADAELP C[C@H](C[NH+](C)C)Nc1ccc(N)c[nH+]1 130096369 343861942 /nfs/dbraw/zinc/86/19/42/343861942.db2.gz GBSKLMDUVZHVPB-MRVPVSSYSA-N 2 2 194.282 1.026 10 0 ADAELP CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 130173379 343863656 /nfs/dbraw/zinc/86/36/56/343863656.db2.gz CIKALOSBRSMXHU-RKDXNWHRSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 130173379 343863660 /nfs/dbraw/zinc/86/36/60/343863660.db2.gz CIKALOSBRSMXHU-RKDXNWHRSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 130173186 343863760 /nfs/dbraw/zinc/86/37/60/343863760.db2.gz CIKALOSBRSMXHU-IUCAKERBSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 130173186 343863763 /nfs/dbraw/zinc/86/37/63/343863763.db2.gz CIKALOSBRSMXHU-IUCAKERBSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 130173557 343863839 /nfs/dbraw/zinc/86/38/39/343863839.db2.gz CIKALOSBRSMXHU-BDAKNGLRSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 130173557 343863842 /nfs/dbraw/zinc/86/38/42/343863842.db2.gz CIKALOSBRSMXHU-BDAKNGLRSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 130172977 343864060 /nfs/dbraw/zinc/86/40/60/343864060.db2.gz CIKALOSBRSMXHU-DTWKUNHWSA-N 2 2 168.284 1.221 10 0 ADAELP CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 130172977 343864062 /nfs/dbraw/zinc/86/40/62/343864062.db2.gz CIKALOSBRSMXHU-DTWKUNHWSA-N 2 2 168.284 1.221 10 0 ADAELP Cc1cccc(N[C@H](C)C[NH+](C)C)[nH+]1 130622209 343871046 /nfs/dbraw/zinc/87/10/46/343871046.db2.gz JWNJQTLTIIHKAX-SNVBAGLBSA-N 2 2 193.294 1.752 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccoc2)C1 130862513 343876226 /nfs/dbraw/zinc/87/62/26/343876226.db2.gz DMRQQWSCVRWEMM-JTQLQIEISA-N 2 2 194.278 1.321 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccoc2)C1 130862265 343876354 /nfs/dbraw/zinc/87/63/54/343876354.db2.gz DMRQQWSCVRWEMM-SNVBAGLBSA-N 2 2 194.278 1.321 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccoc2)C1 130862265 343876356 /nfs/dbraw/zinc/87/63/56/343876356.db2.gz DMRQQWSCVRWEMM-SNVBAGLBSA-N 2 2 194.278 1.321 10 0 ADAELP CC[C@@H](C)n1c[nH+]cc1C1C[NH2+]C1 131185998 343881111 /nfs/dbraw/zinc/88/11/11/343881111.db2.gz FTXAAQVLZNKEFI-MRVPVSSYSA-N 2 2 179.267 1.541 10 0 ADAELP C[C@@]1(c2c[nH+]cn2C2CC2)CC[NH2+]C1 131192723 343881302 /nfs/dbraw/zinc/88/13/02/343881302.db2.gz AMKKTDLKPPOFJT-LLVKDONJSA-N 2 2 191.278 1.469 10 0 ADAELP CC(C)Cn1c[nH+]cc1[C@@H]1CC[NH2+]C1 131196777 343881373 /nfs/dbraw/zinc/88/13/73/343881373.db2.gz KOWDXVWXCJTRCB-SNVBAGLBSA-N 2 2 193.294 1.616 10 0 ADAELP CCn1c[nH+]cc1-c1c[nH+]ccc1N 131190282 343881403 /nfs/dbraw/zinc/88/14/03/343881403.db2.gz IGNHDSNRHRVGTI-UHFFFAOYSA-N 2 2 188.234 1.547 10 0 ADAELP CCn1c[nH+]cc1[C@]1(C)CC[NH2+]C1 131188796 343881487 /nfs/dbraw/zinc/88/14/87/343881487.db2.gz QJJVVGVSZDNWLQ-SNVBAGLBSA-N 2 2 179.267 1.154 10 0 ADAELP CCn1c[nH+]cc1[C@@]1(C)CC[NH2+]C1 131188995 343881502 /nfs/dbraw/zinc/88/15/02/343881502.db2.gz QJJVVGVSZDNWLQ-JTQLQIEISA-N 2 2 179.267 1.154 10 0 ADAELP C[C@]1(c2c[nH+]cn2C2CC2)CC[NH2+]C1 131192495 343881612 /nfs/dbraw/zinc/88/16/12/343881612.db2.gz AMKKTDLKPPOFJT-NSHDSACASA-N 2 2 191.278 1.469 10 0 ADAELP CC[C@H](C)n1c[nH+]cc1C1C[NH2+]C1 131186173 343881636 /nfs/dbraw/zinc/88/16/36/343881636.db2.gz FTXAAQVLZNKEFI-QMMMGPOBSA-N 2 2 179.267 1.541 10 0 ADAELP CCC(C)(C)n1c[nH+]cc1C1C[NH2+]C1 131209295 343882129 /nfs/dbraw/zinc/88/21/29/343882129.db2.gz PQFARMSWNQHSOW-UHFFFAOYSA-N 2 2 193.294 1.715 10 0 ADAELP CC1(c2c[nH+]c[nH]2)CC[NH2+]CC1 131217067 343882157 /nfs/dbraw/zinc/88/21/57/343882157.db2.gz FVNHOAAAWUUCBY-UHFFFAOYSA-N 2 2 165.240 1.051 10 0 ADAELP CC1(c2c[nH]c[nH+]2)CC[NH2+]CC1 131217067 343882160 /nfs/dbraw/zinc/88/21/60/343882160.db2.gz FVNHOAAAWUUCBY-UHFFFAOYSA-N 2 2 165.240 1.051 10 0 ADAELP CC(C)(C)n1c[nH+]cc1C1C[NH2+]C1 131231694 343882297 /nfs/dbraw/zinc/88/22/97/343882297.db2.gz KIZQRMZGLCEHRP-UHFFFAOYSA-N 2 2 179.267 1.325 10 0 ADAELP CC(C)Cn1c[nH+]cc1[C@H]1CC[NH2+]C1 131196989 343882393 /nfs/dbraw/zinc/88/23/93/343882393.db2.gz KOWDXVWXCJTRCB-JTQLQIEISA-N 2 2 193.294 1.616 10 0 ADAELP CC(C)n1c[nH+]cc1C1C[NH2+]C1 131240807 343882719 /nfs/dbraw/zinc/88/27/19/343882719.db2.gz NMKVBNDAVAWIEL-UHFFFAOYSA-N 2 2 165.240 1.151 10 0 ADAELP Cn1c[nH+]cc1-c1c[nH+]ccc1N 131235407 343882831 /nfs/dbraw/zinc/88/28/31/343882831.db2.gz SUUBGVHGWKBDDI-UHFFFAOYSA-N 2 2 174.207 1.064 10 0 ADAELP CC(C)n1c[nH+]cc1[C@]1(C)CC[NH2+]C1 131239083 343882924 /nfs/dbraw/zinc/88/29/24/343882924.db2.gz WVVKDZCRKQUSMS-LLVKDONJSA-N 2 2 193.294 1.715 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@]1(C)CC[NH2+]C1 131239334 343883031 /nfs/dbraw/zinc/88/30/31/343883031.db2.gz WVVKDZCRKQUSMS-NSHDSACASA-N 2 2 193.294 1.715 10 0 ADAELP C[C@H]1C[C@H]1n1c[nH+]cc1C1C[NH2+]C1 131367058 343884670 /nfs/dbraw/zinc/88/46/70/343884670.db2.gz SKMPEBUDMUVLSX-IONNQARKSA-N 2 2 177.251 1.151 10 0 ADAELP C[C@@H]1C[C@H]1n1c[nH+]cc1C1C[NH2+]C1 131366881 343884726 /nfs/dbraw/zinc/88/47/26/343884726.db2.gz SKMPEBUDMUVLSX-VXNVDRBHSA-N 2 2 177.251 1.151 10 0 ADAELP C[C@@H]1C[C@@H]1n1c[nH+]cc1C1C[NH2+]C1 131366469 343884746 /nfs/dbraw/zinc/88/47/46/343884746.db2.gz SKMPEBUDMUVLSX-APPZFPTMSA-N 2 2 177.251 1.151 10 0 ADAELP C[C@H]1C[C@@H]1n1c[nH+]cc1C1C[NH2+]C1 131366686 343884779 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343898795 /nfs/dbraw/zinc/89/87/95/343898795.db2.gz DGHFTGZONROPTN-VGMNWLOBSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]1SCC[N@H+](C[C@@H](C)[NH3+])[C@H]1C 132488157 343898797 /nfs/dbraw/zinc/89/87/97/343898797.db2.gz DGHFTGZONROPTN-VGMNWLOBSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]1SCC[N@@H+](C[C@@H](C)[NH3+])[C@@H]1C 132487950 343898904 /nfs/dbraw/zinc/89/89/04/343898904.db2.gz DGHFTGZONROPTN-HLTSFMKQSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]1SCC[N@H+](C[C@@H](C)[NH3+])[C@@H]1C 132487950 343898906 /nfs/dbraw/zinc/89/89/06/343898906.db2.gz DGHFTGZONROPTN-HLTSFMKQSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CCS[C@H](C)[C@H]1C 132488395 343899034 /nfs/dbraw/zinc/89/90/34/343899034.db2.gz DGHFTGZONROPTN-IWSPIJDZSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]1[C@@H](C)SCC[N@H+]1C[C@@H](C)[NH3+] 132488602 343899149 /nfs/dbraw/zinc/89/91/49/343899149.db2.gz DGHFTGZONROPTN-HRDYMLBCSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]1[C@@H](C)SCC[N@@H+]1C[C@@H](C)[NH3+] 132488602 343899150 /nfs/dbraw/zinc/89/91/50/343899150.db2.gz DGHFTGZONROPTN-HRDYMLBCSA-N 2 2 188.340 1.159 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+]C2CC=CC2)C1 132569917 343900684 /nfs/dbraw/zinc/90/06/84/343900684.db2.gz UQXZPPQTBJWAAB-LLVKDONJSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+]C2CC=CC2)C1 132569917 343900686 /nfs/dbraw/zinc/90/06/86/343900686.db2.gz UQXZPPQTBJWAAB-LLVKDONJSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]C2CC=CC2)C1 132569727 343900938 /nfs/dbraw/zinc/90/09/38/343900938.db2.gz UQXZPPQTBJWAAB-NSHDSACASA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]C2CC=CC2)C1 132569727 343900940 /nfs/dbraw/zinc/90/09/40/343900940.db2.gz UQXZPPQTBJWAAB-NSHDSACASA-N 2 2 180.295 1.389 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]2C)C[N@H+]1C 132753506 343903722 /nfs/dbraw/zinc/90/37/22/343903722.db2.gz UYFYPLKOVXFZMI-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]2C)C[N@@H+]1C 132753506 343903724 /nfs/dbraw/zinc/90/37/24/343903724.db2.gz UYFYPLKOVXFZMI-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP CCc1c[nH+]cn1-c1ccc(N)[nH+]c1 132871754 343906628 /nfs/dbraw/zinc/90/66/28/343906628.db2.gz DDLRZFLBCZQVLW-UHFFFAOYSA-N 2 2 188.234 1.412 10 0 ADAELP COc1cc(NC(C)(C)C[NH3+])cc[nH+]1 133236509 343913630 /nfs/dbraw/zinc/91/36/30/343913630.db2.gz UVVKFUZFHNSWHO-UHFFFAOYSA-N 2 2 195.266 1.239 10 0 ADAELP COc1cc(NCC(C)(C)[NH3+])cc[nH+]1 133252481 343914347 /nfs/dbraw/zinc/91/43/47/343914347.db2.gz AKCQMXFJMWBOLG-UHFFFAOYSA-N 2 2 195.266 1.239 10 0 ADAELP Cc1c[nH+]c(-n2cc[nH+]c2)cc1N 133316992 343915888 /nfs/dbraw/zinc/91/58/88/343915888.db2.gz WQWPOXOASPTNMO-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP c1[nH+]cn([C@H]2CC[NH2+]C2)c1C1CC1 133496397 343920374 /nfs/dbraw/zinc/92/03/74/343920374.db2.gz KWQIDLRZWAQHLY-VIFPVBQESA-N 2 2 177.251 1.295 10 0 ADAELP c1[nH+]cn([C@@H]2CC[NH2+]C2)c1C1CC1 133496225 343920507 /nfs/dbraw/zinc/92/05/07/343920507.db2.gz KWQIDLRZWAQHLY-SECBINFHSA-N 2 2 177.251 1.295 10 0 ADAELP CC(C)(C)c1c[nH+]cn1C1C[NH2+]C1 133558672 343922133 /nfs/dbraw/zinc/92/21/33/343922133.db2.gz ORRSJEYOWCYLIT-UHFFFAOYSA-N 2 2 179.267 1.325 10 0 ADAELP [NH3+][C@H]1CCCN(c2cc[nH+]cc2F)C1 133637210 343923671 /nfs/dbraw/zinc/92/36/71/343923671.db2.gz RPFAGYBPPYFTKG-QMMMGPOBSA-N 2 2 195.241 1.148 10 0 ADAELP [NH3+][C@@H]1CCCN(c2cc[nH+]cc2F)C1 133637413 343923690 /nfs/dbraw/zinc/92/36/90/343923690.db2.gz RPFAGYBPPYFTKG-MRVPVSSYSA-N 2 2 195.241 1.148 10 0 ADAELP [NH3+]C1CCN(c2cc[nH+]cc2F)CC1 133636987 343923805 /nfs/dbraw/zinc/92/38/05/343923805.db2.gz UXXXKJCNADIZRY-UHFFFAOYSA-N 2 2 195.241 1.148 10 0 ADAELP [NH3+]C[C@@H]1CCN(c2cc[nH+]cc2F)C1 133638259 343923863 /nfs/dbraw/zinc/92/38/63/343923863.db2.gz XHEZMXAHYFNRNV-QMMMGPOBSA-N 2 2 195.241 1.006 10 0 ADAELP [NH3+]C[C@H]1CCN(c2cc[nH+]cc2F)C1 133638038 343923932 /nfs/dbraw/zinc/92/39/32/343923932.db2.gz XHEZMXAHYFNRNV-MRVPVSSYSA-N 2 2 195.241 1.006 10 0 ADAELP C[C@@H](C[N@@H+]1CCC[NH2+]CC1)C1CC1 133667570 343924134 /nfs/dbraw/zinc/92/41/34/343924134.db2.gz SHFYTGXBSGOQNE-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP C[C@@H](C[N@H+]1CCC[NH2+]CC1)C1CC1 133667570 343924139 /nfs/dbraw/zinc/92/41/39/343924139.db2.gz SHFYTGXBSGOQNE-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP C[C@H](C[N@@H+]1CCC[NH2+]CC1)C1CC1 133667753 343924405 /nfs/dbraw/zinc/92/44/05/343924405.db2.gz SHFYTGXBSGOQNE-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP C[C@H](C[N@H+]1CCC[NH2+]CC1)C1CC1 133667753 343924406 /nfs/dbraw/zinc/92/44/06/343924406.db2.gz SHFYTGXBSGOQNE-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP c1[nH+]cn(C2C[NH2+]C2)c1C1CCC1 133705810 343925061 /nfs/dbraw/zinc/92/50/61/343925061.db2.gz STMZOVDAALCQQZ-UHFFFAOYSA-N 2 2 177.251 1.295 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1C[C@H]1C[NH3+] 133759208 343926106 /nfs/dbraw/zinc/92/61/06/343926106.db2.gz CLCIMDHMCSTXDT-DTWKUNHWSA-N 2 2 162.236 1.452 10 0 ADAELP Cc1cc[nH+]cc1Cn1cc[nH+]c1N 133756633 343926109 /nfs/dbraw/zinc/92/61/09/343926109.db2.gz DVODHXDCTLJFRW-UHFFFAOYSA-N 2 2 188.234 1.217 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1C[C@@H]1C[NH3+] 133758784 343926213 /nfs/dbraw/zinc/92/62/13/343926213.db2.gz CLCIMDHMCSTXDT-RKDXNWHRSA-N 2 2 162.236 1.452 10 0 ADAELP Cc1cc[nH+]cc1[C@H]1C[C@H]1C[NH3+] 133759396 343926255 /nfs/dbraw/zinc/92/62/55/343926255.db2.gz CLCIMDHMCSTXDT-IUCAKERBSA-N 2 2 162.236 1.452 10 0 ADAELP Cc1cc[nH+]cc1[C@H]1C[C@@H]1C[NH3+] 133758999 343926316 /nfs/dbraw/zinc/92/63/16/343926316.db2.gz CLCIMDHMCSTXDT-BDAKNGLRSA-N 2 2 162.236 1.452 10 0 ADAELP C[C@H](C[N@H+]1CCC[NH2+][C@H](C)C1)C1CC1 133820977 343927740 /nfs/dbraw/zinc/92/77/40/343927740.db2.gz POSUFJHRYIUDFN-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP C1=CCC([N@@H+]2CCC[NH2+]CC2)C1 133857846 343928046 /nfs/dbraw/zinc/92/80/46/343928046.db2.gz GUQSFOJVQHEOJE-UHFFFAOYSA-N 2 2 166.268 1.000 10 0 ADAELP C1=CCC([N@H+]2CCC[NH2+]CC2)C1 133857846 343928049 /nfs/dbraw/zinc/92/80/49/343928049.db2.gz GUQSFOJVQHEOJE-UHFFFAOYSA-N 2 2 166.268 1.000 10 0 ADAELP C[C@H]1C[N@@H+](C2CC=CC2)CCC[NH2+]1 133857157 343928318 /nfs/dbraw/zinc/92/83/18/343928318.db2.gz TWGJCFHCRLOSNK-JTQLQIEISA-N 2 2 180.295 1.389 10 0 ADAELP C[C@H]1C[N@H+](C2CC=CC2)CCC[NH2+]1 133857157 343928319 /nfs/dbraw/zinc/92/83/19/343928319.db2.gz TWGJCFHCRLOSNK-JTQLQIEISA-N 2 2 180.295 1.389 10 0 ADAELP Cc1nc(-n2cc[nH+]c2)ccc1C[NH3+] 134009509 343931798 /nfs/dbraw/zinc/93/17/98/343931798.db2.gz CJPKOVZTRKNOQR-UHFFFAOYSA-N 2 2 188.234 1.034 10 0 ADAELP CCc1ccc2c(C[NH3+])[nH+]c(C)n2c1 134032587 343932128 /nfs/dbraw/zinc/93/21/28/343932128.db2.gz ANBHARFWIJPCKX-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP COc1ccn2c(C)[nH+]c(C[NH3+])c2c1 134032381 343932352 /nfs/dbraw/zinc/93/23/52/343932352.db2.gz MQWPQVAJSWBDBE-UHFFFAOYSA-N 2 2 191.234 1.110 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C1CC1 134171653 343935740 /nfs/dbraw/zinc/93/57/40/343935740.db2.gz OXQFZWMLZQYADI-JFGNBEQYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H]([NH3+])C1CC1 134171653 343935741 /nfs/dbraw/zinc/93/57/41/343935741.db2.gz OXQFZWMLZQYADI-JFGNBEQYSA-N 2 2 196.338 1.987 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC2(C)C)C1 134281029 343938287 /nfs/dbraw/zinc/93/82/87/343938287.db2.gz BLLGQSYUNSMOLP-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC2(C)C)C1 134281029 343938290 /nfs/dbraw/zinc/93/82/90/343938290.db2.gz BLLGQSYUNSMOLP-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 134282443 343938558 /nfs/dbraw/zinc/93/85/58/343938558.db2.gz KQYBURLQDCWWJD-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 134282443 343938560 /nfs/dbraw/zinc/93/85/60/343938560.db2.gz KQYBURLQDCWWJD-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 134282398 343938598 /nfs/dbraw/zinc/93/85/98/343938598.db2.gz KQYBURLQDCWWJD-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 134282398 343938599 /nfs/dbraw/zinc/93/85/99/343938599.db2.gz KQYBURLQDCWWJD-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC2(C)C)C1 134281067 343938602 /nfs/dbraw/zinc/93/86/02/343938602.db2.gz BLLGQSYUNSMOLP-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC2(C)C)C1 134281067 343938603 /nfs/dbraw/zinc/93/86/03/343938603.db2.gz BLLGQSYUNSMOLP-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CCn1c[nH+]cc1C[C@@H]1CCC[NH2+]1 134339633 343940062 /nfs/dbraw/zinc/94/00/62/343940062.db2.gz WNJHDEJRNPOKPA-VIFPVBQESA-N 2 2 179.267 1.198 10 0 ADAELP CC(C)n1c[nH+]cc1C[C@@H]1CCC[NH2+]1 134340001 343940099 /nfs/dbraw/zinc/94/00/99/343940099.db2.gz OFFITSRURJRLAS-JTQLQIEISA-N 2 2 193.294 1.759 10 0 ADAELP c1[nH+]cn(C2CC2)c1C[C@@H]1CCC[NH2+]1 134339956 343940119 /nfs/dbraw/zinc/94/01/19/343940119.db2.gz GVSQVUNGIPXZKU-VIFPVBQESA-N 2 2 191.278 1.513 10 0 ADAELP CC(C)n1c[nH+]cc1C[C@H]1CCC[NH2+]1 134340026 343940141 /nfs/dbraw/zinc/94/01/41/343940141.db2.gz OFFITSRURJRLAS-SNVBAGLBSA-N 2 2 193.294 1.759 10 0 ADAELP c1[nH+]cn(C2CC2)c1C[C@H]1CCC[NH2+]1 134339970 343940300 /nfs/dbraw/zinc/94/03/00/343940300.db2.gz GVSQVUNGIPXZKU-SECBINFHSA-N 2 2 191.278 1.513 10 0 ADAELP Cn1c[nH+]cc1C[C@]1(C)CCC[NH2+]1 134343318 343940631 /nfs/dbraw/zinc/94/06/31/343940631.db2.gz KWFNWAFLBGIACK-JTQLQIEISA-N 2 2 179.267 1.105 10 0 ADAELP CC(C)(C)O[NH2+]C1CCC([NH3+])CC1 134487218 343943955 /nfs/dbraw/zinc/94/39/55/343943955.db2.gz SGBXXFGCBSHGQN-UHFFFAOYSA-N 2 2 186.299 1.576 10 0 ADAELP C[NH2+]CC[N@@H+]1CCSC(C)(C)C1 135213357 343957234 /nfs/dbraw/zinc/95/72/34/343957234.db2.gz ATSJABMGCQAOSX-UHFFFAOYSA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]CC[N@H+]1CCSC(C)(C)C1 135213357 343957237 /nfs/dbraw/zinc/95/72/37/343957237.db2.gz ATSJABMGCQAOSX-UHFFFAOYSA-N 2 2 188.340 1.033 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@@H](C)[C@@H](C)C1 135201011 343957345 /nfs/dbraw/zinc/95/73/45/343957345.db2.gz VNNZKJJZGSVPIC-VGMNWLOBSA-N 2 2 183.299 1.289 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CC[C@@H](C)[C@@H](C)C1 135201011 343957349 /nfs/dbraw/zinc/95/73/49/343957349.db2.gz VNNZKJJZGSVPIC-VGMNWLOBSA-N 2 2 183.299 1.289 10 0 ADAELP CC[C@H]1CC[C@@H](C)[N@H+]1C[C@@H](C)[NH3+] 136071750 343974421 /nfs/dbraw/zinc/97/44/21/343974421.db2.gz OOJGZTMJGJFZOH-BBBLOLIVSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@@H]1CC[C@@H](C)[N@H+]1[C@@H]1CC[NH2+]C1 136186113 343976603 /nfs/dbraw/zinc/97/66/03/343976603.db2.gz LQWRAQJNLRHHSQ-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CC[NH2+]C1 136186113 343976599 /nfs/dbraw/zinc/97/65/99/343976599.db2.gz LQWRAQJNLRHHSQ-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CC[NH2+]C1 136186036 343976612 /nfs/dbraw/zinc/97/66/12/343976612.db2.gz LQWRAQJNLRHHSQ-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CC[NH2+]C1 136186036 343976614 /nfs/dbraw/zinc/97/66/14/343976614.db2.gz LQWRAQJNLRHHSQ-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(C)(C)[NH3+] 136236740 343978139 /nfs/dbraw/zinc/97/81/39/343978139.db2.gz APFYINZPZSZVRJ-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP [NH3+]C1CCC([NH2+]OC2CCCC2)CC1 136953517 343982886 /nfs/dbraw/zinc/98/28/86/343982886.db2.gz XRTFYBZOQGOZOU-UHFFFAOYSA-N 2 2 198.310 1.720 10 0 ADAELP FC1CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 137277102 343984716 /nfs/dbraw/zinc/98/47/16/343984716.db2.gz VVGABNUXSPBSSP-JTQLQIEISA-N 2 2 186.274 1.172 10 0 ADAELP C[C@@H]1CCC[C@@H](C)[NH+]1CC(N)=[NH2+] 137815388 343986973 /nfs/dbraw/zinc/98/69/73/343986973.db2.gz XKEVJGVNTOLXLQ-HTQZYQBOSA-N 2 2 169.272 1.185 10 0 ADAELP Nc1ccc2cc(C[NH3+])ccc2[nH+]1 138011659 343987830 /nfs/dbraw/zinc/98/78/30/343987830.db2.gz JKOUMDGPWQCYMS-UHFFFAOYSA-N 2 2 173.219 1.276 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 138402161 343988826 /nfs/dbraw/zinc/98/88/26/343988826.db2.gz UQBQGSWIRRTCSB-NXEZZACHSA-N 2 2 195.310 1.434 10 0 ADAELP NC(=[NH2+])C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 138402161 343988829 /nfs/dbraw/zinc/98/88/29/343988829.db2.gz UQBQGSWIRRTCSB-NXEZZACHSA-N 2 2 195.310 1.434 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 138570678 343989451 /nfs/dbraw/zinc/98/94/51/343989451.db2.gz RWOXPDDVWGUIPB-ZJUUUORDSA-N 2 2 195.310 1.577 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC[C@H]2CCCC[C@@H]21 138570678 343989455 /nfs/dbraw/zinc/98/94/55/343989455.db2.gz RWOXPDDVWGUIPB-ZJUUUORDSA-N 2 2 195.310 1.577 10 0 ADAELP C[C@H]1CC[C@H](C)[NH+]1C[C@@H]1CCC[NH2+]1 138822210 343990530 /nfs/dbraw/zinc/99/05/30/343990530.db2.gz NMDZLWWOLRCGTE-DCAQKATOSA-N 2 2 182.311 1.611 10 0 ADAELP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccco1 139305673 343993592 /nfs/dbraw/zinc/99/35/92/343993592.db2.gz BKYQZKWVGRPQDJ-VIFPVBQESA-N 2 2 191.234 1.485 10 0 ADAELP C[C@H]1Cc2ccccc2[C@@H](C[NH3+])[NH2+]1 139903885 343996740 /nfs/dbraw/zinc/99/67/40/343996740.db2.gz GAIKGQYGTJKHRA-GZMMTYOYSA-N 2 2 176.263 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccccc1 140683726 344001340 /nfs/dbraw/zinc/00/13/40/344001340.db2.gz PBEKARDNTVBXHO-CMPLNLGQSA-N 2 2 190.290 1.527 10 0 ADAELP C[C@]1([NH2+]Cc2ccccc2)CC[NH2+]C1 140895622 344002513 /nfs/dbraw/zinc/00/25/13/344002513.db2.gz AIHDBAUQJMCYKQ-LBPRGKRZSA-N 2 2 190.290 1.528 10 0 ADAELP CC(C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 141646008 344007325 /nfs/dbraw/zinc/00/73/25/344007325.db2.gz UNDWMZPVISQHSY-UHFFFAOYSA-N 2 2 193.294 1.998 10 0 ADAELP CC(C)[NH2+]CC(C)(C)n1c[nH+]c(N)c1 142665689 344013799 /nfs/dbraw/zinc/01/37/99/344013799.db2.gz SOXAPNSBWYIYHO-UHFFFAOYSA-N 2 2 196.298 1.198 10 0 ADAELP C[C@@H]1Cc2ccccc2[C@H](C[NH3+])[NH2+]1 142703918 344014050 /nfs/dbraw/zinc/01/40/50/344014050.db2.gz GAIKGQYGTJKHRA-KCJUWKMLSA-N 2 2 176.263 1.221 10 0 ADAELP C[C@H]1Cc2ccccc2[C@H](C[NH3+])[NH2+]1 142704138 344014211 /nfs/dbraw/zinc/01/42/11/344014211.db2.gz GAIKGQYGTJKHRA-KWQFWETISA-N 2 2 176.263 1.221 10 0 ADAELP C[C@@H]1Cc2ccccc2[C@@H](C[NH3+])[NH2+]1 142704334 344014340 /nfs/dbraw/zinc/01/43/40/344014340.db2.gz GAIKGQYGTJKHRA-LDYMZIIASA-N 2 2 176.263 1.221 10 0 ADAELP Cc1csc(C[NH2+][C@H]2CC[NH2+]C2)c1 143336243 344018238 /nfs/dbraw/zinc/01/82/38/344018238.db2.gz XRAYAJAGEOGWIR-VIFPVBQESA-N 2 2 196.319 1.508 10 0 ADAELP c1cn(C[C@H]2CCCC[NH2+]C2)c[nH+]1 143401426 344018722 /nfs/dbraw/zinc/01/87/22/344018722.db2.gz DRIUAHKGBQOBHX-JTQLQIEISA-N 2 2 179.267 1.273 10 0 ADAELP c1cn(C[C@@H]2CCCC[NH2+]C2)c[nH+]1 143401209 344018736 /nfs/dbraw/zinc/01/87/36/344018736.db2.gz DRIUAHKGBQOBHX-SNVBAGLBSA-N 2 2 179.267 1.273 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@H](n2cc[nH+]c2)C1 143397579 344018779 /nfs/dbraw/zinc/01/87/79/344018779.db2.gz KEUNCEAEKVGOMH-JTQLQIEISA-N 2 2 193.294 1.928 10 0 ADAELP CC(C)(C)[N@H+]1CC[C@H](n2cc[nH+]c2)C1 143397579 344018780 /nfs/dbraw/zinc/01/87/80/344018780.db2.gz KEUNCEAEKVGOMH-JTQLQIEISA-N 2 2 193.294 1.928 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@@H](n2cc[nH+]c2)C1 143397782 344018878 /nfs/dbraw/zinc/01/88/78/344018878.db2.gz KEUNCEAEKVGOMH-SNVBAGLBSA-N 2 2 193.294 1.928 10 0 ADAELP CC(C)(C)[N@H+]1CC[C@@H](n2cc[nH+]c2)C1 143397782 344018881 /nfs/dbraw/zinc/01/88/81/344018881.db2.gz KEUNCEAEKVGOMH-SNVBAGLBSA-N 2 2 193.294 1.928 10 0 ADAELP CC1=CC[N@@H+]([C@@H]2CC[NH2+]C2)CC1 144486841 344027230 /nfs/dbraw/zinc/02/72/30/344027230.db2.gz QSNHEPUGJULTKD-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP CC1=CC[N@H+]([C@@H]2CC[NH2+]C2)CC1 144486841 344027231 /nfs/dbraw/zinc/02/72/31/344027231.db2.gz QSNHEPUGJULTKD-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP CC1=CC[N@@H+]([C@H]2CC[NH2+]C2)CC1 144487059 344027254 /nfs/dbraw/zinc/02/72/54/344027254.db2.gz QSNHEPUGJULTKD-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP CC1=CC[N@H+]([C@H]2CC[NH2+]C2)CC1 144487059 344027255 /nfs/dbraw/zinc/02/72/55/344027255.db2.gz QSNHEPUGJULTKD-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP C[NH+](C)C[C@@H]1[NH2+]CCCC1(C)C 145472277 344033836 /nfs/dbraw/zinc/03/38/36/344033836.db2.gz SPLSUMUDMCXSRQ-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP C[NH+](C)C[C@H]1CCC(C)(C)C[NH2+]1 145472510 344034061 /nfs/dbraw/zinc/03/40/61/344034061.db2.gz HBJWYLCXNKFVBH-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP C[NH+](C)C[C@@H]1CCC(C)(C)C[NH2+]1 145472720 344034066 /nfs/dbraw/zinc/03/40/66/344034066.db2.gz HBJWYLCXNKFVBH-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP [NH3+][C@H]1CC[N@H+](CC2=CCCCC2)C1 145944777 344037240 /nfs/dbraw/zinc/03/72/40/344037240.db2.gz FERVNEBGVHTRLC-NSHDSACASA-N 2 2 180.295 1.520 10 0 ADAELP [NH3+][C@H]1CC[N@@H+](CC2=CCCCC2)C1 145944777 344037243 /nfs/dbraw/zinc/03/72/43/344037243.db2.gz FERVNEBGVHTRLC-NSHDSACASA-N 2 2 180.295 1.520 10 0 ADAELP CCC[C@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C1 146136617 344038753 /nfs/dbraw/zinc/03/87/53/344038753.db2.gz NGSOAYNHDIPGEN-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C1 146136617 344038756 /nfs/dbraw/zinc/03/87/56/344038756.db2.gz NGSOAYNHDIPGEN-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C1 146136423 344038872 /nfs/dbraw/zinc/03/88/72/344038872.db2.gz NGSOAYNHDIPGEN-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C1 146136423 344038874 /nfs/dbraw/zinc/03/88/74/344038874.db2.gz NGSOAYNHDIPGEN-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C 146240577 344040228 /nfs/dbraw/zinc/04/02/28/344040228.db2.gz PYDXFSZUMHNTLD-LBPRGKRZSA-N 2 2 192.306 1.379 10 0 ADAELP C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C 146240772 344040335 /nfs/dbraw/zinc/04/03/35/344040335.db2.gz PYDXFSZUMHNTLD-GFCCVEGCSA-N 2 2 192.306 1.379 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+]1C 148056232 344047092 /nfs/dbraw/zinc/04/70/92/344047092.db2.gz GZPFLMSJDBCJJI-WPRPVWTQSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@H+]1C 148056232 344047095 /nfs/dbraw/zinc/04/70/95/344047095.db2.gz GZPFLMSJDBCJJI-WPRPVWTQSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+]1C 148056366 344047137 /nfs/dbraw/zinc/04/71/37/344047137.db2.gz GZPFLMSJDBCJJI-PSASIEDQSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+]1C 148056366 344047139 /nfs/dbraw/zinc/04/71/39/344047139.db2.gz GZPFLMSJDBCJJI-PSASIEDQSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+]1C 148056528 344047251 /nfs/dbraw/zinc/04/72/51/344047251.db2.gz GZPFLMSJDBCJJI-WCBMZHEXSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+]1C 148056528 344047252 /nfs/dbraw/zinc/04/72/52/344047252.db2.gz GZPFLMSJDBCJJI-WCBMZHEXSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+]1C 148056080 344047428 /nfs/dbraw/zinc/04/74/28/344047428.db2.gz GZPFLMSJDBCJJI-SCZZXKLOSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@H+]1C 148056080 344047431 /nfs/dbraw/zinc/04/74/31/344047431.db2.gz GZPFLMSJDBCJJI-SCZZXKLOSA-N 2 2 168.284 1.221 10 0 ADAELP CC(C)(C)[N@@H+]1CCCC[C@@H]([NH3+])C1 148315088 344052582 /nfs/dbraw/zinc/05/25/82/344052582.db2.gz ARLOUHLATZIFMO-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CC(C)(C)[N@H+]1CCCC[C@@H]([NH3+])C1 148315088 344052586 /nfs/dbraw/zinc/05/25/86/344052586.db2.gz ARLOUHLATZIFMO-SECBINFHSA-N 2 2 170.300 1.598 10 0 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C[C@H]1CC[C@H]([N@H+]2C[C@H](C)C[C@@H]2C)C[NH2+]1 157894883 344116080 /nfs/dbraw/zinc/11/60/80/344116080.db2.gz VHCXWCOJRASTGT-RHYQMDGZSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CC[C@H]([N@@H+]2C[C@H](C)C[C@@H]2C)C[NH2+]1 157894883 344116082 /nfs/dbraw/zinc/11/60/82/344116082.db2.gz VHCXWCOJRASTGT-RHYQMDGZSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H](C)[N@H+](C[C@@H]2CCCC[NH2+]2)C1 157874056 344116261 /nfs/dbraw/zinc/11/62/61/344116261.db2.gz IGNMSJNOFGURDZ-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 157874056 344116263 /nfs/dbraw/zinc/11/62/63/344116263.db2.gz IGNMSJNOFGURDZ-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@H](C)[N@H+](C[C@@H]2CCCC[NH2+]2)C1 157873775 344116345 /nfs/dbraw/zinc/11/63/45/344116345.db2.gz IGNMSJNOFGURDZ-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 157895042 344116360 /nfs/dbraw/zinc/11/63/60/344116360.db2.gz VHCXWCOJRASTGT-WISYIIOYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 157895042 344116361 /nfs/dbraw/zinc/11/63/61/344116361.db2.gz VHCXWCOJRASTGT-WISYIIOYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H]1CC[NH2+]C1 157875432 344116379 /nfs/dbraw/zinc/11/63/79/344116379.db2.gz SKBIJUVXNHEPHA-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[NH2+]C1 157875432 344116381 /nfs/dbraw/zinc/11/63/81/344116381.db2.gz SKBIJUVXNHEPHA-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1CC[C@@H]([N@H+]2C[C@H](C)C[C@@H]2C)C[NH2+]1 157895183 344116388 /nfs/dbraw/zinc/11/63/88/344116388.db2.gz VHCXWCOJRASTGT-NOOOWODRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CC[C@@H]([N@@H+]2C[C@H](C)C[C@@H]2C)C[NH2+]1 157895183 344116389 /nfs/dbraw/zinc/11/63/89/344116389.db2.gz VHCXWCOJRASTGT-NOOOWODRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H](C)[N@H+](CC2([NH3+])CCC2)C1 157977184 344116449 /nfs/dbraw/zinc/11/64/49/344116449.db2.gz WBHAOQBFRRKSKL-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1C[C@@H](C)[N@@H+](CC2([NH3+])CCC2)C1 157977184 344116451 /nfs/dbraw/zinc/11/64/51/344116451.db2.gz WBHAOQBFRRKSKL-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1CC1([NH3+])CCC1 157976705 344116488 /nfs/dbraw/zinc/11/64/88/344116488.db2.gz WBHAOQBFRRKSKL-ZJUUUORDSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1CC1([NH3+])CCC1 157976705 344116486 /nfs/dbraw/zinc/11/64/86/344116486.db2.gz WBHAOQBFRRKSKL-ZJUUUORDSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1C[C@H](C)[N@H+](CC2([NH3+])CCC2)C1 157976866 344116633 /nfs/dbraw/zinc/11/66/33/344116633.db2.gz WBHAOQBFRRKSKL-UWVGGRQHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1C[C@H](C)[N@@H+](CC2([NH3+])CCC2)C1 157976866 344116636 /nfs/dbraw/zinc/11/66/36/344116636.db2.gz WBHAOQBFRRKSKL-UWVGGRQHSA-N 2 2 182.311 1.598 10 0 ADAELP [NH3+][C@@H](Cn1cc[nH+]c1)C1CCCC1 157958921 344116651 /nfs/dbraw/zinc/11/66/51/344116651.db2.gz LXAKTRVLJHLXQP-JTQLQIEISA-N 2 2 179.267 1.401 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@H+](CC2([NH3+])CCC2)C1 157977035 344116794 /nfs/dbraw/zinc/11/67/94/344116794.db2.gz WBHAOQBFRRKSKL-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@@H+](CC2([NH3+])CCC2)C1 157977035 344116796 /nfs/dbraw/zinc/11/67/96/344116796.db2.gz WBHAOQBFRRKSKL-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP [NH3+]C[C@H](F)[C@@H]1[NH2+]CCc2ccccc21 158079514 344117908 /nfs/dbraw/zinc/11/79/08/344117908.db2.gz RHKBJJPNSMWOOP-WDEREUQCSA-N 2 2 194.253 1.170 10 0 ADAELP [NH3+]C[C@@H](F)[C@H]1[NH2+]Cc2ccccc21 158079654 344117922 /nfs/dbraw/zinc/11/79/22/344117922.db2.gz GBFVPZHINQYXSN-ZJUUUORDSA-N 2 2 180.226 1.128 10 0 ADAELP [NH3+]C[C@H](F)[C@@H]1[NH2+]Cc2ccccc21 158080094 344117979 /nfs/dbraw/zinc/11/79/79/344117979.db2.gz GBFVPZHINQYXSN-VHSXEESVSA-N 2 2 180.226 1.128 10 0 ADAELP [NH3+]C[C@H](F)[C@H]1[NH2+]CCc2ccccc21 158079356 344117983 /nfs/dbraw/zinc/11/79/83/344117983.db2.gz RHKBJJPNSMWOOP-QWRGUYRKSA-N 2 2 194.253 1.170 10 0 ADAELP [NH3+]C[C@@H](F)[C@H]1[NH2+]CCc2ccccc21 158079084 344118031 /nfs/dbraw/zinc/11/80/31/344118031.db2.gz RHKBJJPNSMWOOP-MNOVXSKESA-N 2 2 194.253 1.170 10 0 ADAELP [NH3+]C[C@@H](F)[C@@H]1[NH2+]Cc2ccccc21 158079805 344118040 /nfs/dbraw/zinc/11/80/40/344118040.db2.gz GBFVPZHINQYXSN-NXEZZACHSA-N 2 2 180.226 1.128 10 0 ADAELP Cn1cc[nH+]c1C[C@]1(F)CCC[NH2+]C1 158099119 344118630 /nfs/dbraw/zinc/11/86/30/344118630.db2.gz ROINPLSUABPFCT-SNVBAGLBSA-N 2 2 197.257 1.054 10 0 ADAELP Nc1cc[nH+]cc1[C@]1(F)CCC[NH2+]C1 158094440 344118761 /nfs/dbraw/zinc/11/87/61/344118761.db2.gz GATFSZXPZKPTMV-JTQLQIEISA-N 2 2 195.241 1.212 10 0 ADAELP Cn1cc[nH+]c1C[C@@]1(F)CCC[NH2+]C1 158099267 344118784 /nfs/dbraw/zinc/11/87/84/344118784.db2.gz ROINPLSUABPFCT-JTQLQIEISA-N 2 2 197.257 1.054 10 0 ADAELP Nc1cc[nH+]cc1[C@@]1(F)CCC[NH2+]C1 158094591 344118871 /nfs/dbraw/zinc/11/88/71/344118871.db2.gz GATFSZXPZKPTMV-SNVBAGLBSA-N 2 2 195.241 1.212 10 0 ADAELP Nc1[nH+]cccc1C1(F)CC[NH2+]CC1 158112550 344119305 /nfs/dbraw/zinc/11/93/05/344119305.db2.gz SQMYGKDGAHPTHH-UHFFFAOYSA-N 2 2 195.241 1.212 10 0 ADAELP CCn1cc[nH+]c1C[C@@]1(F)CC[NH2+]C1 158191440 344121249 /nfs/dbraw/zinc/12/12/49/344121249.db2.gz SATWURCUKGWUKK-JTQLQIEISA-N 2 2 197.257 1.147 10 0 ADAELP CCn1cc[nH+]c1C[C@]1(F)CC[NH2+]C1 158191304 344121426 /nfs/dbraw/zinc/12/14/26/344121426.db2.gz SATWURCUKGWUKK-SNVBAGLBSA-N 2 2 197.257 1.147 10 0 ADAELP C[C@](F)(C[NH3+])[C@H]1[NH2+]Cc2ccccc21 158251477 344122180 /nfs/dbraw/zinc/12/21/80/344122180.db2.gz VTYOOMRLCJNMCH-QWRGUYRKSA-N 2 2 194.253 1.518 10 0 ADAELP C[C@@](F)(C[NH3+])[C@H]1[NH2+]Cc2ccccc21 158251323 344122188 /nfs/dbraw/zinc/12/21/88/344122188.db2.gz VTYOOMRLCJNMCH-WDEREUQCSA-N 2 2 194.253 1.518 10 0 ADAELP C[C@](F)(C[NH3+])[C@@H]1[NH2+]Cc2ccccc21 158251767 344122666 /nfs/dbraw/zinc/12/26/66/344122666.db2.gz VTYOOMRLCJNMCH-MNOVXSKESA-N 2 2 194.253 1.518 10 0 ADAELP Nc1[nH+]cccc1[C@@]1(F)CC[C@@H]([NH3+])C1 158322280 344123945 /nfs/dbraw/zinc/12/39/45/344123945.db2.gz UICJRKJFRKECLS-GMSGAONNSA-N 2 2 195.241 1.340 10 0 ADAELP Nc1[nH+]cccc1[C@@]1(F)CC[C@H]([NH3+])C1 158321999 344124086 /nfs/dbraw/zinc/12/40/86/344124086.db2.gz UICJRKJFRKECLS-OIBJUYFYSA-N 2 2 195.241 1.340 10 0 ADAELP Nc1[nH+]cccc1[C@]1(F)CC[C@@H]([NH3+])C1 158322134 344124172 /nfs/dbraw/zinc/12/41/72/344124172.db2.gz UICJRKJFRKECLS-XCBNKYQSSA-N 2 2 195.241 1.340 10 0 ADAELP Nc1[nH+]cccc1[C@]1(F)CC[C@H]([NH3+])C1 158321841 344124389 /nfs/dbraw/zinc/12/43/89/344124389.db2.gz UICJRKJFRKECLS-XVKPBYJWSA-N 2 2 195.241 1.340 10 0 ADAELP CC(C)[C@@](F)(C[NH3+])c1c[nH+]ccc1N 158390305 344125583 /nfs/dbraw/zinc/12/55/83/344125583.db2.gz NOQAHORWWVGCJU-JTQLQIEISA-N 2 2 197.257 1.443 10 0 ADAELP CC(C)[C@](F)(C[NH3+])c1c[nH+]ccc1N 158390446 344125628 /nfs/dbraw/zinc/12/56/28/344125628.db2.gz NOQAHORWWVGCJU-SNVBAGLBSA-N 2 2 197.257 1.443 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)C[C@@H]1C 158397071 344125844 /nfs/dbraw/zinc/12/58/44/344125844.db2.gz BTFQZZNXNBSANB-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)C[C@@H]1C 158397071 344125846 /nfs/dbraw/zinc/12/58/46/344125846.db2.gz BTFQZZNXNBSANB-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP Nc1cc[nH+]cc1[C@@](F)(C[NH3+])C1CC1 158412995 344126646 /nfs/dbraw/zinc/12/66/46/344126646.db2.gz WHYXUOKWPACASS-SNVBAGLBSA-N 2 2 195.241 1.197 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCSC(C)(C)C1 158641039 344130241 /nfs/dbraw/zinc/13/02/41/344130241.db2.gz NMXRJOKUVBWEJR-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCSC(C)(C)C1 158641039 344130243 /nfs/dbraw/zinc/13/02/43/344130243.db2.gz NMXRJOKUVBWEJR-MRVPVSSYSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@@H](C[NH3+])[N@@H+]1CCSC(C)(C)C1 158640901 344130255 /nfs/dbraw/zinc/13/02/55/344130255.db2.gz NMXRJOKUVBWEJR-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@@H](C[NH3+])[N@H+]1CCSC(C)(C)C1 158640901 344130258 /nfs/dbraw/zinc/13/02/58/344130258.db2.gz NMXRJOKUVBWEJR-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 159233946 344140547 /nfs/dbraw/zinc/14/05/47/344140547.db2.gz RMIURKHHFIOEST-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 159233946 344140548 /nfs/dbraw/zinc/14/05/48/344140548.db2.gz RMIURKHHFIOEST-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 159233826 344140739 /nfs/dbraw/zinc/14/07/39/344140739.db2.gz RMIURKHHFIOEST-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@H+]1CCC[NH2+]CC1 159233826 344140741 /nfs/dbraw/zinc/14/07/41/344140741.db2.gz RMIURKHHFIOEST-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CCC[C@H]1[N@@H+]1CCC[NH2+]CC1 159234184 344141172 /nfs/dbraw/zinc/14/11/72/344141172.db2.gz RMIURKHHFIOEST-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@@H+]1CCC[NH2+]CC1 159234071 344141392 /nfs/dbraw/zinc/14/13/92/344141392.db2.gz RMIURKHHFIOEST-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@H+]1CCC[NH2+]CC1 159234071 344141393 /nfs/dbraw/zinc/14/13/93/344141393.db2.gz RMIURKHHFIOEST-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C1=CC[N@H+](C[C@H]2CCC[NH2+]2)CC1 159687446 344150387 /nfs/dbraw/zinc/15/03/87/344150387.db2.gz SLTFSPTWQNWBJL-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP C1=CC[N@@H+](C[C@H]2CCC[NH2+]2)CC1 159687446 344150389 /nfs/dbraw/zinc/15/03/89/344150389.db2.gz SLTFSPTWQNWBJL-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP CC1C[NH+]([C@H]2CCC[NH2+][C@H]2C)C1 160559839 344169349 /nfs/dbraw/zinc/16/93/49/344169349.db2.gz CLGXQYPBWVZGGD-UWVGGRQHSA-N 2 2 168.284 1.079 10 0 ADAELP CC1C[NH+]([C@@H]2CCC[NH2+][C@H]2C)C1 160559732 344169376 /nfs/dbraw/zinc/16/93/76/344169376.db2.gz CLGXQYPBWVZGGD-VHSXEESVSA-N 2 2 168.284 1.079 10 0 ADAELP CC1C[NH+]([C@@H]2CCC[NH2+][C@@H]2C)C1 160559488 344169635 /nfs/dbraw/zinc/16/96/35/344169635.db2.gz CLGXQYPBWVZGGD-NXEZZACHSA-N 2 2 168.284 1.079 10 0 ADAELP CC1C[NH+]([C@H]2CCC[NH2+][C@@H]2C)C1 160559615 344169589 /nfs/dbraw/zinc/16/95/89/344169589.db2.gz CLGXQYPBWVZGGD-ZJUUUORDSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CC2(CC2)C1 160704335 344174304 /nfs/dbraw/zinc/17/43/04/344174304.db2.gz HLIRXMCDNIBJLY-UWVGGRQHSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[NH+]1CC2(CC2)C1 160703942 344174508 /nfs/dbraw/zinc/17/45/08/344174508.db2.gz HLIRXMCDNIBJLY-NXEZZACHSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CC2(CC2)C1 160704075 344174590 /nfs/dbraw/zinc/17/45/90/344174590.db2.gz HLIRXMCDNIBJLY-VHSXEESVSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[NH+]1CC2(CCC2)C1 160704486 344174600 /nfs/dbraw/zinc/17/46/00/344174600.db2.gz JMVJGCJZSBTOGA-GHMZBOCLSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CC2(CC2)C1 160704212 344174686 /nfs/dbraw/zinc/17/46/86/344174686.db2.gz HLIRXMCDNIBJLY-ZJUUUORDSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CC2(CCC2)C1 160704859 344174848 /nfs/dbraw/zinc/17/48/48/344174848.db2.gz JMVJGCJZSBTOGA-QWRGUYRKSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CC2(CCC2)C1 160704614 344174933 /nfs/dbraw/zinc/17/49/33/344174933.db2.gz JMVJGCJZSBTOGA-WDEREUQCSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CC2(CCC2)C1 160704736 344174989 /nfs/dbraw/zinc/17/49/89/344174989.db2.gz JMVJGCJZSBTOGA-MNOVXSKESA-N 2 2 194.322 1.613 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1CCC[NH2+]C1 160937025 344180891 /nfs/dbraw/zinc/18/08/91/344180891.db2.gz CBRIFRVENGYENV-SECBINFHSA-N 2 2 179.267 1.370 10 0 ADAELP CC[C@H]1C[NH2+]C[C@@H]1[NH+]1CCCCCC1 160939466 344181046 /nfs/dbraw/zinc/18/10/46/344181046.db2.gz RRKWXJFMNFZFPF-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1C[NH2+]C[C@H]1[NH+]1CCCCCC1 160939698 344181155 /nfs/dbraw/zinc/18/11/55/344181155.db2.gz RRKWXJFMNFZFPF-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CCn1c[nH+]cc1[C@H]1CCC[NH2+]C1 160937174 344181167 /nfs/dbraw/zinc/18/11/67/344181167.db2.gz CBRIFRVENGYENV-VIFPVBQESA-N 2 2 179.267 1.370 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[NH+]1CCCCCC1 160939583 344181192 /nfs/dbraw/zinc/18/11/92/344181192.db2.gz RRKWXJFMNFZFPF-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[NH+]1CCCCCC1 160939338 344181213 /nfs/dbraw/zinc/18/12/13/344181213.db2.gz RRKWXJFMNFZFPF-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+](C)C1CCCC1 160972069 344182194 /nfs/dbraw/zinc/18/21/94/344182194.db2.gz HURMWTDCDFEDGA-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+](C)C1CCCC1 160972069 344182196 /nfs/dbraw/zinc/18/21/96/344182196.db2.gz HURMWTDCDFEDGA-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@H+](C)C1CCCC1 160972304 344182200 /nfs/dbraw/zinc/18/22/00/344182200.db2.gz HURMWTDCDFEDGA-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+](C)C1CCCC1 160972304 344182201 /nfs/dbraw/zinc/18/22/01/344182201.db2.gz HURMWTDCDFEDGA-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[NH2+]C[C@@H]1[N@H+](C)C1CCCC1 160972190 344182243 /nfs/dbraw/zinc/18/22/43/344182243.db2.gz HURMWTDCDFEDGA-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[NH2+]C[C@@H]1[N@@H+](C)C1CCCC1 160972190 344182245 /nfs/dbraw/zinc/18/22/45/344182245.db2.gz HURMWTDCDFEDGA-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[NH2+]C[C@H]1[N@H+](C)C1CCCC1 160972426 344182318 /nfs/dbraw/zinc/18/23/18/344182318.db2.gz HURMWTDCDFEDGA-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[NH2+]C[C@H]1[N@@H+](C)C1CCCC1 160972426 344182319 /nfs/dbraw/zinc/18/23/19/344182319.db2.gz HURMWTDCDFEDGA-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC[C@@H]1C 161006187 344182868 /nfs/dbraw/zinc/18/28/68/344182868.db2.gz SHASUESZAKSUPK-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CCC[C@@H]1C 161006187 344182871 /nfs/dbraw/zinc/18/28/71/344182871.db2.gz SHASUESZAKSUPK-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@@H]1C 161006446 344183089 /nfs/dbraw/zinc/18/30/89/344183089.db2.gz SHASUESZAKSUPK-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@@H]1C 161006446 344183090 /nfs/dbraw/zinc/18/30/90/344183090.db2.gz SHASUESZAKSUPK-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CC[C@H](C)C1 161009428 344183431 /nfs/dbraw/zinc/18/34/31/344183431.db2.gz LWFHPQVZIZXLRR-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CC[C@H](C)C1 161009644 344183383 /nfs/dbraw/zinc/18/33/83/344183383.db2.gz LWFHPQVZIZXLRR-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@H+]1CC[C@H](C)C1 161009644 344183385 /nfs/dbraw/zinc/18/33/85/344183385.db2.gz LWFHPQVZIZXLRR-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP CC1CC([NH2+][C@H]2C[C@@H](C)[N@H+](C)C2)C1 161813107 344198536 /nfs/dbraw/zinc/19/85/36/344198536.db2.gz SBOPCGGRRQGSMY-DJRKXVOMSA-N 2 2 182.311 1.467 10 0 ADAELP CC1CC([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C2)C1 161813107 344198538 /nfs/dbraw/zinc/19/85/38/344198538.db2.gz SBOPCGGRRQGSMY-DJRKXVOMSA-N 2 2 182.311 1.467 10 0 ADAELP CC1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C2)C1 161812992 344198854 /nfs/dbraw/zinc/19/88/54/344198854.db2.gz SBOPCGGRRQGSMY-VGRIYTJTSA-N 2 2 182.311 1.467 10 0 ADAELP CC1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C2)C1 161812992 344198856 /nfs/dbraw/zinc/19/88/56/344198856.db2.gz SBOPCGGRRQGSMY-VGRIYTJTSA-N 2 2 182.311 1.467 10 0 ADAELP CC1CC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C2)C1 161812757 344198876 /nfs/dbraw/zinc/19/88/76/344198876.db2.gz SBOPCGGRRQGSMY-QONHTCSSSA-N 2 2 182.311 1.467 10 0 ADAELP CC1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C2)C1 161812757 344198878 /nfs/dbraw/zinc/19/88/78/344198878.db2.gz SBOPCGGRRQGSMY-QONHTCSSSA-N 2 2 182.311 1.467 10 0 ADAELP CC1CC([NH2+][C@H]2C[C@H](C)[N@H+](C)C2)C1 161812889 344198944 /nfs/dbraw/zinc/19/89/44/344198944.db2.gz SBOPCGGRRQGSMY-YIYTYNFBSA-N 2 2 182.311 1.467 10 0 ADAELP CC1CC([NH2+][C@H]2C[C@H](C)[N@@H+](C)C2)C1 161812889 344198946 /nfs/dbraw/zinc/19/89/46/344198946.db2.gz SBOPCGGRRQGSMY-YIYTYNFBSA-N 2 2 182.311 1.467 10 0 ADAELP Cc1ccc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])c[nH+]1 162307836 344205835 /nfs/dbraw/zinc/20/58/35/344205835.db2.gz DZBNVXKZSGTZRE-IEBDPFPHSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1ccc([C@@H]2C[C@H]2[C@@H](C)[NH3+])c[nH+]1 162308086 344205921 /nfs/dbraw/zinc/20/59/21/344205921.db2.gz DZBNVXKZSGTZRE-MIMYLULJSA-N 2 2 176.263 1.841 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C)C[N@H+]1C 162548271 344209869 /nfs/dbraw/zinc/20/98/69/344209869.db2.gz TWJOKYWMGUSAAK-UTINFBMNSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C)C[N@@H+]1C 162548271 344209871 /nfs/dbraw/zinc/20/98/71/344209871.db2.gz TWJOKYWMGUSAAK-UTINFBMNSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]2C)C[N@H+]1C 162548016 344210037 /nfs/dbraw/zinc/21/00/37/344210037.db2.gz TWJOKYWMGUSAAK-RGOKHQFPSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]2C)C[N@@H+]1C 162548016 344210038 /nfs/dbraw/zinc/21/00/38/344210038.db2.gz TWJOKYWMGUSAAK-RGOKHQFPSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@@H](C)C(C)(C)C)C1 162888745 344215763 /nfs/dbraw/zinc/21/57/63/344215763.db2.gz JASATXYDHXSQPD-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@@H](C)C(C)(C)C)C1 162888745 344215766 /nfs/dbraw/zinc/21/57/66/344215766.db2.gz JASATXYDHXSQPD-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]([N@@H+]1CC[NH2+]C[C@@H](C)C1)C(C)(C)C 162888618 344215859 /nfs/dbraw/zinc/21/58/59/344215859.db2.gz JASATXYDHXSQPD-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]([N@H+]1CC[NH2+]C[C@@H](C)C1)C(C)(C)C 162888618 344215860 /nfs/dbraw/zinc/21/58/60/344215860.db2.gz JASATXYDHXSQPD-MNOVXSKESA-N 2 2 198.354 1.962 10 0 ADAELP Cc1cc(C[NH3+])cc(-n2cc[nH+]c2)n1 163524924 344224536 /nfs/dbraw/zinc/22/45/36/344224536.db2.gz RCDFYLUGPSRWHV-UHFFFAOYSA-N 2 2 188.234 1.034 10 0 ADAELP CCCc1cn2ccc(C[NH3+])cc2[nH+]1 164265130 344240028 /nfs/dbraw/zinc/24/00/28/344240028.db2.gz FVFKNSUURGHJSS-UHFFFAOYSA-N 2 2 189.262 1.746 10 0 ADAELP [NH3+]Cc1ccn2c3c([nH+]c2c1)CCC3 164269529 344240114 /nfs/dbraw/zinc/24/01/14/344240114.db2.gz DIHDCOYXDICBSB-UHFFFAOYSA-N 2 2 187.246 1.282 10 0 ADAELP CCc1c[nH+]c2ccc(C[NH3+])cn12 164258954 344240233 /nfs/dbraw/zinc/24/02/33/344240233.db2.gz PQHXVRFNJLLRSR-UHFFFAOYSA-N 2 2 175.235 1.355 10 0 ADAELP CCc1c[nH+]c2cc(C[NH3+])ccn12 164271755 344240363 /nfs/dbraw/zinc/24/03/63/344240363.db2.gz UXZDSNWXGDOEOX-UHFFFAOYSA-N 2 2 175.235 1.355 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 164451331 344244957 /nfs/dbraw/zinc/24/49/57/344244957.db2.gz AVXAYYKTNQUZHK-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 164451331 344244960 /nfs/dbraw/zinc/24/49/60/344244960.db2.gz AVXAYYKTNQUZHK-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 164450949 344245073 /nfs/dbraw/zinc/24/50/73/344245073.db2.gz AVXAYYKTNQUZHK-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 164450949 344245076 /nfs/dbraw/zinc/24/50/76/344245076.db2.gz AVXAYYKTNQUZHK-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 164451063 344245195 /nfs/dbraw/zinc/24/51/95/344245195.db2.gz AVXAYYKTNQUZHK-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 164451063 344245198 /nfs/dbraw/zinc/24/51/98/344245198.db2.gz AVXAYYKTNQUZHK-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 164451188 344245404 /nfs/dbraw/zinc/24/54/04/344245404.db2.gz AVXAYYKTNQUZHK-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 164451188 344245406 /nfs/dbraw/zinc/24/54/06/344245406.db2.gz AVXAYYKTNQUZHK-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CCC[C@@H](Oc2cc[nH+]cc2)C1 164519711 344246157 /nfs/dbraw/zinc/24/61/57/344246157.db2.gz RDEQYSNKKFKKIH-LLVKDONJSA-N 2 2 192.262 1.555 10 0 ADAELP C[N@H+]1CCC[C@@H](Oc2cc[nH+]cc2)C1 164519711 344246159 /nfs/dbraw/zinc/24/61/59/344246159.db2.gz RDEQYSNKKFKKIH-LLVKDONJSA-N 2 2 192.262 1.555 10 0 ADAELP C[N@@H+]1CCC[C@H](Oc2cc[nH+]cc2)C1 164519523 344246425 /nfs/dbraw/zinc/24/64/25/344246425.db2.gz RDEQYSNKKFKKIH-NSHDSACASA-N 2 2 192.262 1.555 10 0 ADAELP C[N@H+]1CCC[C@H](Oc2cc[nH+]cc2)C1 164519523 344246426 /nfs/dbraw/zinc/24/64/26/344246426.db2.gz RDEQYSNKKFKKIH-NSHDSACASA-N 2 2 192.262 1.555 10 0 ADAELP CCSCC[NH2+]C[C@H](C)[NH+](C)C 164833231 344252866 /nfs/dbraw/zinc/25/28/66/344252866.db2.gz MNHPWQXDGZITCS-VIFPVBQESA-N 2 2 190.356 1.279 10 0 ADAELP CCSCC[NH2+]C[C@@H](C)[NH+](C)C 164833136 344253187 /nfs/dbraw/zinc/25/31/87/344253187.db2.gz MNHPWQXDGZITCS-SECBINFHSA-N 2 2 190.356 1.279 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 165267710 344260977 /nfs/dbraw/zinc/26/09/77/344260977.db2.gz KDIYWSLSMVFJRB-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP 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165730280 344268192 /nfs/dbraw/zinc/26/81/92/344268192.db2.gz NHDSOEIHXYGSEF-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 165730529 344268316 /nfs/dbraw/zinc/26/83/16/344268316.db2.gz NHDSOEIHXYGSEF-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 165730529 344268318 /nfs/dbraw/zinc/26/83/18/344268318.db2.gz NHDSOEIHXYGSEF-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 165730401 344268456 /nfs/dbraw/zinc/26/84/56/344268456.db2.gz NHDSOEIHXYGSEF-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 165730401 344268457 /nfs/dbraw/zinc/26/84/57/344268457.db2.gz NHDSOEIHXYGSEF-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 165730148 344268503 /nfs/dbraw/zinc/26/85/03/344268503.db2.gz NHDSOEIHXYGSEF-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 165730148 344268506 /nfs/dbraw/zinc/26/85/06/344268506.db2.gz NHDSOEIHXYGSEF-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1cc(N[C@@H](C)C[C@@H](C)[NH3+])nc[nH+]1 165747679 344268700 /nfs/dbraw/zinc/26/87/00/344268700.db2.gz IKBIQIGKURRTPB-APPZFPTMSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1nc(N[C@H](C)C[C@H](C)[NH3+])cc[nH+]1 165759081 344268718 /nfs/dbraw/zinc/26/87/18/344268718.db2.gz RIWZRWVXBMRXPA-JGVFFNPUSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1cc(N[C@H](C)C[C@H](C)[NH3+])nc[nH+]1 165748013 344268768 /nfs/dbraw/zinc/26/87/68/344268768.db2.gz IKBIQIGKURRTPB-IONNQARKSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1nc(N[C@@H](C)C[C@@H](C)[NH3+])cc[nH+]1 165758696 344268813 /nfs/dbraw/zinc/26/88/13/344268813.db2.gz RIWZRWVXBMRXPA-SFYZADRCSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1nc(N[C@H](C)C[C@@H](C)[NH3+])cc[nH+]1 165758814 344268845 /nfs/dbraw/zinc/26/88/45/344268845.db2.gz RIWZRWVXBMRXPA-HTQZYQBOSA-N 2 2 194.282 1.323 10 0 ADAELP Cc1cc(N[C@@H](C)C[C@H](C)[NH3+])nc[nH+]1 165747882 344268950 /nfs/dbraw/zinc/26/89/50/344268950.db2.gz IKBIQIGKURRTPB-CBAPKCEASA-N 2 2 194.282 1.323 10 0 ADAELP Cc1cc(N[C@H](C)C[C@@H](C)[NH3+])nc[nH+]1 165747771 344268964 /nfs/dbraw/zinc/26/89/64/344268964.db2.gz IKBIQIGKURRTPB-VXNVDRBHSA-N 2 2 194.282 1.323 10 0 ADAELP C[C@@]1(C[N@H+]2CC=CCC2)CCC[NH2+]1 166086209 344274188 /nfs/dbraw/zinc/27/41/88/344274188.db2.gz UNSZSSWVDNVUQA-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP C[C@@]1(C[N@@H+]2CC=CCC2)CCC[NH2+]1 166086209 344274190 /nfs/dbraw/zinc/27/41/90/344274190.db2.gz UNSZSSWVDNVUQA-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP C[C@]1(C[N@H+]2CC=CCC2)CCC[NH2+]1 166086074 344274338 /nfs/dbraw/zinc/27/43/38/344274338.db2.gz UNSZSSWVDNVUQA-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP C[C@]1(C[N@@H+]2CC=CCC2)CCC[NH2+]1 166086074 344274341 /nfs/dbraw/zinc/27/43/41/344274341.db2.gz UNSZSSWVDNVUQA-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP C[C@]1(C[N@H+]2CC=CCC2)CCCC[NH2+]1 166100584 344274685 /nfs/dbraw/zinc/27/46/85/344274685.db2.gz XIHLEIGFBBATFH-GFCCVEGCSA-N 2 2 194.322 1.781 10 0 ADAELP C[C@]1(C[N@@H+]2CC=CCC2)CCCC[NH2+]1 166100584 344274687 /nfs/dbraw/zinc/27/46/87/344274687.db2.gz XIHLEIGFBBATFH-GFCCVEGCSA-N 2 2 194.322 1.781 10 0 ADAELP C1=CC[N@H+](C[C@H]2CCCC[NH2+]2)CC1 166114546 344274824 /nfs/dbraw/zinc/27/48/24/344274824.db2.gz ZZPXHNPMHKFACS-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP C1=CC[N@@H+](C[C@H]2CCCC[NH2+]2)CC1 166114546 344274826 /nfs/dbraw/zinc/27/48/26/344274826.db2.gz ZZPXHNPMHKFACS-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP C[C@@]1(C[N@H+]2CC=CCC2)CCCC[NH2+]1 166100705 344274956 /nfs/dbraw/zinc/27/49/56/344274956.db2.gz XIHLEIGFBBATFH-LBPRGKRZSA-N 2 2 194.322 1.781 10 0 ADAELP C[C@@]1(C[N@@H+]2CC=CCC2)CCCC[NH2+]1 166100705 344274957 /nfs/dbraw/zinc/27/49/57/344274957.db2.gz XIHLEIGFBBATFH-LBPRGKRZSA-N 2 2 194.322 1.781 10 0 ADAELP CC1=CC[N@H+](C[C@@H]2CCCC[NH2+]2)CC1 166151420 344275362 /nfs/dbraw/zinc/27/53/62/344275362.db2.gz BFOYHYNKMGGQHG-LBPRGKRZSA-N 2 2 194.322 1.781 10 0 ADAELP 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/nfs/dbraw/zinc/27/79/29/344277929.db2.gz QSNCQWXXYIOYOZ-UHFFFAOYSA-N 2 2 193.294 1.779 10 0 ADAELP CC(C)(C)[C@H]1CC[N@H+](CC2([NH3+])CC2)C1 166300448 344278218 /nfs/dbraw/zinc/27/82/18/344278218.db2.gz VEKIDIUJZYUJMF-JTQLQIEISA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)(C)[C@H]1CC[N@@H+](CC2([NH3+])CC2)C1 166300448 344278220 /nfs/dbraw/zinc/27/82/20/344278220.db2.gz VEKIDIUJZYUJMF-JTQLQIEISA-N 2 2 196.338 1.846 10 0 ADAELP CNc1cc[nH+]c(C[NH2+]C2CC2)c1 166290986 344278270 /nfs/dbraw/zinc/27/82/70/344278270.db2.gz QACZVZFDXHCIDR-UHFFFAOYSA-N 2 2 177.251 1.375 10 0 ADAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1NC 166299880 344278346 /nfs/dbraw/zinc/27/83/46/344278346.db2.gz DGLXVZNLPFCSJR-UHFFFAOYSA-N 2 2 193.294 1.850 10 0 ADAELP CC[NH2+]Cc1cc(NC)cc[nH+]1 166302112 344278896 /nfs/dbraw/zinc/27/88/96/344278896.db2.gz QXEMBAXPCXTLTJ-UHFFFAOYSA-N 2 2 165.240 1.233 10 0 ADAELP CCNc1cc[nH+]c(C[NH2+]C)c1 166306538 344278942 /nfs/dbraw/zinc/27/89/42/344278942.db2.gz NSKCGLHEKBBABM-UHFFFAOYSA-N 2 2 165.240 1.233 10 0 ADAELP CNc1cc[nH+]c(C[NH2+]C(C)C)c1 166302243 344278950 /nfs/dbraw/zinc/27/89/50/344278950.db2.gz HFLZYKNRAMNTOM-UHFFFAOYSA-N 2 2 179.267 1.621 10 0 ADAELP CC(C)[C@H]1CC[N@H+](CC2([NH3+])CCC2)C1 166323254 344279395 /nfs/dbraw/zinc/27/93/95/344279395.db2.gz NIRFKEAXMJZRFW-NSHDSACASA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)[C@H]1CC[N@@H+](CC2([NH3+])CCC2)C1 166323254 344279397 /nfs/dbraw/zinc/27/93/97/344279397.db2.gz NIRFKEAXMJZRFW-NSHDSACASA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)[C@@H]1CC[N@H+](CC2([NH3+])CCC2)C1 166323133 344279498 /nfs/dbraw/zinc/27/94/98/344279498.db2.gz NIRFKEAXMJZRFW-LLVKDONJSA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+](CC2([NH3+])CCC2)C1 166323133 344279500 /nfs/dbraw/zinc/27/95/00/344279500.db2.gz NIRFKEAXMJZRFW-LLVKDONJSA-N 2 2 196.338 1.846 10 0 ADAELP C[NH2+]Cc1cc(NC2CC2)cc[nH+]1 166348638 344280078 /nfs/dbraw/zinc/28/00/78/344280078.db2.gz XTRRNMQSEPJZKC-UHFFFAOYSA-N 2 2 177.251 1.375 10 0 ADAELP CC[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]2)C1 166353212 344280211 /nfs/dbraw/zinc/28/02/11/344280211.db2.gz YLXFNVHPOJWRSO-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]2)C1 166353212 344280214 /nfs/dbraw/zinc/28/02/14/344280214.db2.gz YLXFNVHPOJWRSO-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]2)C1 166353095 344280232 /nfs/dbraw/zinc/28/02/32/344280232.db2.gz YLXFNVHPOJWRSO-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]2)C1 166353095 344280234 /nfs/dbraw/zinc/28/02/34/344280234.db2.gz YLXFNVHPOJWRSO-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[NH3+] 166527487 344283881 /nfs/dbraw/zinc/28/38/81/344283881.db2.gz KGBVGSRWKSKZRC-DBIOUOCHSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1[C@H](C)C[C@@H](C)C[N@H+]1C[C@@H](C)[NH3+] 166527487 344283879 /nfs/dbraw/zinc/28/38/79/344283879.db2.gz KGBVGSRWKSKZRC-DBIOUOCHSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)[NH3+])[C@H]1C 166527249 344284148 /nfs/dbraw/zinc/28/41/48/344284148.db2.gz KGBVGSRWKSKZRC-YTWAJWBKSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)[NH3+])[C@H]1C 166527249 344284150 /nfs/dbraw/zinc/28/41/50/344284150.db2.gz KGBVGSRWKSKZRC-YTWAJWBKSA-N 2 2 184.327 1.700 10 0 ADAELP CC1CC([NH2+][C@H]2CCC[N@H+](C)C2)C1 166622246 344285802 /nfs/dbraw/zinc/28/58/02/344285802.db2.gz KYOIEFGNORBCAD-YVNMAJEFSA-N 2 2 182.311 1.469 10 0 ADAELP CC1CC([NH2+][C@H]2CCC[N@@H+](C)C2)C1 166622246 344285804 /nfs/dbraw/zinc/28/58/04/344285804.db2.gz KYOIEFGNORBCAD-YVNMAJEFSA-N 2 2 182.311 1.469 10 0 ADAELP CC1CC([NH2+][C@@H]2CCC[N@H+](C)C2)C1 166622138 344285887 /nfs/dbraw/zinc/28/58/87/344285887.db2.gz KYOIEFGNORBCAD-HSOILSAZSA-N 2 2 182.311 1.469 10 0 ADAELP CC1CC([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 166622138 344285889 /nfs/dbraw/zinc/28/58/89/344285889.db2.gz KYOIEFGNORBCAD-HSOILSAZSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C 166677261 344287273 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/nfs/dbraw/zinc/29/15/44/344291544.db2.gz BTGNATOCQYSKRR-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CCC(CC)[NH2+]C[C@@H]1CCC[N@H+]1C 166884713 344291546 /nfs/dbraw/zinc/29/15/46/344291546.db2.gz BTGNATOCQYSKRR-NSHDSACASA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H]2C[NH2+]C(C)(C)C2)C1 166881650 344291552 /nfs/dbraw/zinc/29/15/52/344291552.db2.gz CMLGKWGBTZHNOM-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H]2C[NH2+]C(C)(C)C2)C1 166881650 344291553 /nfs/dbraw/zinc/29/15/53/344291553.db2.gz CMLGKWGBTZHNOM-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[N@@H+]([C@H]2C[NH2+]C(C)(C)C2)C1 166881765 344291558 /nfs/dbraw/zinc/29/15/58/344291558.db2.gz CMLGKWGBTZHNOM-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[N@H+]([C@H]2C[NH2+]C(C)(C)C2)C1 166881765 344291559 /nfs/dbraw/zinc/29/15/59/344291559.db2.gz CMLGKWGBTZHNOM-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@@H+]1C 166881757 344291581 /nfs/dbraw/zinc/29/15/81/344291581.db2.gz STLIYVFLXPXBMA-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1C 166881757 344291583 /nfs/dbraw/zinc/29/15/83/344291583.db2.gz STLIYVFLXPXBMA-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 166881369 344291606 /nfs/dbraw/zinc/29/16/06/344291606.db2.gz MLBUXCKAVGJILA-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 166881369 344291608 /nfs/dbraw/zinc/29/16/08/344291608.db2.gz MLBUXCKAVGJILA-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 166882202 344291615 /nfs/dbraw/zinc/29/16/15/344291615.db2.gz IGFLNSBQWCGDTJ-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 166882202 344291618 /nfs/dbraw/zinc/29/16/18/344291618.db2.gz IGFLNSBQWCGDTJ-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@@H+]1C 166881639 344291699 /nfs/dbraw/zinc/29/16/99/344291699.db2.gz STLIYVFLXPXBMA-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCC[N@H+]1C 166881639 344291702 /nfs/dbraw/zinc/29/17/02/344291702.db2.gz STLIYVFLXPXBMA-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C 166876898 344291742 /nfs/dbraw/zinc/29/17/42/344291742.db2.gz VNPFCGYXTIGVAT-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C 166876898 344291744 /nfs/dbraw/zinc/29/17/44/344291744.db2.gz VNPFCGYXTIGVAT-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C 166879465 344291798 /nfs/dbraw/zinc/29/17/98/344291798.db2.gz AVWRTYBLIBJEPB-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C 166879465 344291800 /nfs/dbraw/zinc/29/18/00/344291800.db2.gz AVWRTYBLIBJEPB-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C 166879394 344291806 /nfs/dbraw/zinc/29/18/06/344291806.db2.gz AVWRTYBLIBJEPB-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C 166879394 344291807 /nfs/dbraw/zinc/29/18/07/344291807.db2.gz AVWRTYBLIBJEPB-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 166886479 344292308 /nfs/dbraw/zinc/29/23/08/344292308.db2.gz ZAXQYDOTHOIWBD-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 166886479 344292310 /nfs/dbraw/zinc/29/23/10/344292310.db2.gz ZAXQYDOTHOIWBD-RYUDHWBXSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 166886601 344292326 /nfs/dbraw/zinc/29/23/26/344292326.db2.gz ZAXQYDOTHOIWBD-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 166886601 344292329 /nfs/dbraw/zinc/29/23/29/344292329.db2.gz ZAXQYDOTHOIWBD-NWDGAFQWSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C)C[C@H]1C[C@H](C)CC[NH2+]1 167263699 344301353 /nfs/dbraw/zinc/30/13/53/344301353.db2.gz FXOLJXHFCAXYAG-NXEZZACHSA-N 2 2 170.300 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C[C@@H]1C[C@@H]1C[N@H+]1CCC[NH2+]C(C)(C)C1 167327107 344302252 /nfs/dbraw/zinc/30/22/52/344302252.db2.gz LIDCIHZZWWAGDN-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+]1CCC[NH2+]C(C)(C)C1 167327455 344302280 /nfs/dbraw/zinc/30/22/80/344302280.db2.gz LIDCIHZZWWAGDN-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+]1CCC[NH2+]C(C)(C)C1 167327455 344302281 /nfs/dbraw/zinc/30/22/81/344302281.db2.gz LIDCIHZZWWAGDN-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+]1CCC[NH2+][C@H](C)C1 167326303 344302346 /nfs/dbraw/zinc/30/23/46/344302346.db2.gz XJZIUBVOXHRVLG-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+]1CCC[NH2+][C@H](C)C1 167326303 344302349 /nfs/dbraw/zinc/30/23/49/344302349.db2.gz XJZIUBVOXHRVLG-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)CCC[NH2+]1 167326203 344302369 /nfs/dbraw/zinc/30/23/69/344302369.db2.gz XJZIUBVOXHRVLG-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@H]2C[C@H]2C)CCC[NH2+]1 167326203 344302371 /nfs/dbraw/zinc/30/23/71/344302371.db2.gz XJZIUBVOXHRVLG-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+]1CCC[NH2+]C(C)(C)C1 167327212 344302412 /nfs/dbraw/zinc/30/24/12/344302412.db2.gz LIDCIHZZWWAGDN-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+]1CCC[NH2+]C(C)(C)C1 167327212 344302414 /nfs/dbraw/zinc/30/24/14/344302414.db2.gz LIDCIHZZWWAGDN-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CCC[NH2+]1 167326426 344302470 /nfs/dbraw/zinc/30/24/70/344302470.db2.gz XJZIUBVOXHRVLG-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CCC[NH2+]1 167326426 344302473 /nfs/dbraw/zinc/30/24/73/344302473.db2.gz XJZIUBVOXHRVLG-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+]1CCC[NH2+][C@H](C)C1 167326543 344302582 /nfs/dbraw/zinc/30/25/82/344302582.db2.gz XJZIUBVOXHRVLG-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+]1CCC[NH2+][C@H](C)C1 167326543 344302585 /nfs/dbraw/zinc/30/25/85/344302585.db2.gz XJZIUBVOXHRVLG-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[C@@]([NH3+])(C[NH3+])c2ccccc21 167416915 344304844 /nfs/dbraw/zinc/30/48/44/344304844.db2.gz SAQSSDXGXZKWJQ-BXKDBHETSA-N 2 2 190.290 1.697 10 0 ADAELP C[C@@H]1CC[C@]([NH3+])(C[NH3+])c2ccccc21 167416701 344304947 /nfs/dbraw/zinc/30/49/47/344304947.db2.gz SAQSSDXGXZKWJQ-SKDRFNHKSA-N 2 2 190.290 1.697 10 0 ADAELP C[C@H]1CC[C@@]([NH3+])(C[NH3+])c2ccccc21 167417026 344305010 /nfs/dbraw/zinc/30/50/10/344305010.db2.gz SAQSSDXGXZKWJQ-JOYOIKCWSA-N 2 2 190.290 1.697 10 0 ADAELP C[C@H]1CC[C@]([NH3+])(C[NH3+])c2ccccc21 167416818 344305041 /nfs/dbraw/zinc/30/50/41/344305041.db2.gz SAQSSDXGXZKWJQ-CABZTGNLSA-N 2 2 190.290 1.697 10 0 ADAELP CC[NH2+][C@H](C[NH+]1CCC1)C(C)C 167554515 344308352 /nfs/dbraw/zinc/30/83/52/344308352.db2.gz DLERFNXSOSUVPU-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@H]([C@@H]1CCC[NH2+]1)n1cc[nH+]c1 167895644 344316414 /nfs/dbraw/zinc/31/64/14/344316414.db2.gz JJIPSYQRUGRMRR-BDAKNGLRSA-N 2 2 165.240 1.196 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)n1cc[nH+]c1 167895541 344316481 /nfs/dbraw/zinc/31/64/81/344316481.db2.gz JJIPSYQRUGRMRR-IUCAKERBSA-N 2 2 165.240 1.196 10 0 ADAELP [NH3+][C@H](C[NH+]1CC2(CCC2)C1)C1CC1 168250789 344326252 /nfs/dbraw/zinc/32/62/52/344326252.db2.gz LRXDAVCIJRXPCC-SNVBAGLBSA-N 2 2 180.295 1.210 10 0 ADAELP CC1(C)C[NH+](C[C@@H]([NH3+])C2CC2)C1 168247800 344326265 /nfs/dbraw/zinc/32/62/65/344326265.db2.gz WMRWULWDZWSAGG-SECBINFHSA-N 2 2 168.284 1.066 10 0 ADAELP CC1(C)C[NH+](C[C@H]([NH3+])C2CC2)C1 168247714 344326292 /nfs/dbraw/zinc/32/62/92/344326292.db2.gz WMRWULWDZWSAGG-VIFPVBQESA-N 2 2 168.284 1.066 10 0 ADAELP [NH3+][C@@H](C[NH+]1CC2(CCCC2)C1)C1CC1 168250278 344326301 /nfs/dbraw/zinc/32/63/01/344326301.db2.gz BXGVSYMNJQCNPE-NSHDSACASA-N 2 2 194.322 1.600 10 0 ADAELP [NH3+][C@H](C[NH+]1CC2(CCCC2)C1)C1CC1 168250380 344326349 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168827525 344338160 /nfs/dbraw/zinc/33/81/60/344338160.db2.gz MKLQGPSLQUDDID-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccoc1)[N@H+]1CCC[C@@H]1C[NH3+] 168827603 344338292 /nfs/dbraw/zinc/33/82/92/344338292.db2.gz MKLQGPSLQUDDID-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccoc1)[N@@H+]1CCC[C@@H]1C[NH3+] 168827603 344338291 /nfs/dbraw/zinc/33/82/91/344338291.db2.gz MKLQGPSLQUDDID-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP Cc1cc(NCC(C)(C)C[NH3+])nc[nH+]1 168945240 344340887 /nfs/dbraw/zinc/34/08/87/344340887.db2.gz GNEMDHJZCSHOKN-UHFFFAOYSA-N 2 2 194.282 1.182 10 0 ADAELP C/C=C/CC[N@@H+]1CCC[NH2+][C@@H](C)C1 168970090 344341494 /nfs/dbraw/zinc/34/14/94/344341494.db2.gz FZABXHRNQXAEOF-UFFNRZRYSA-N 2 2 182.311 1.636 10 0 ADAELP Cc1nc(NCC(C)(C)C[NH3+])cc[nH+]1 168947612 344341148 /nfs/dbraw/zinc/34/11/48/344341148.db2.gz URCQTCALXOFISX-UHFFFAOYSA-N 2 2 194.282 1.182 10 0 ADAELP C/C=C/CC[N@@H+]1CCC[NH2+][C@H](C)C1 168970001 344341388 /nfs/dbraw/zinc/34/13/88/344341388.db2.gz 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/nfs/dbraw/zinc/41/84/19/344418419.db2.gz NYSBWUFYYXAIMQ-LLVKDONJSA-N 2 2 176.263 1.392 10 0 ADAELP [NH3+]C[C@@H](c1ccccc1)[NH+]1CC=CC1 218958945 344418649 /nfs/dbraw/zinc/41/86/49/344418649.db2.gz RZBKPKFJEBZLEZ-LBPRGKRZSA-N 2 2 188.274 1.558 10 0 ADAELP C[C@]1([NH3+])CC[N@H+](Cc2ccco2)C1 218974714 344418747 /nfs/dbraw/zinc/41/87/47/344418747.db2.gz VRSHAJIYGFINIY-JTQLQIEISA-N 2 2 180.251 1.203 10 0 ADAELP C[C@]1([NH3+])CC[N@@H+](Cc2ccco2)C1 218974714 344418750 /nfs/dbraw/zinc/41/87/50/344418750.db2.gz VRSHAJIYGFINIY-JTQLQIEISA-N 2 2 180.251 1.203 10 0 ADAELP C[C@@]1([NH3+])CC[N@H+](Cc2ccco2)C1 218974746 344418816 /nfs/dbraw/zinc/41/88/16/344418816.db2.gz VRSHAJIYGFINIY-SNVBAGLBSA-N 2 2 180.251 1.203 10 0 ADAELP C[C@@]1([NH3+])CC[N@@H+](Cc2ccco2)C1 218974746 344418818 /nfs/dbraw/zinc/41/88/18/344418818.db2.gz VRSHAJIYGFINIY-SNVBAGLBSA-N 2 2 180.251 1.203 10 0 ADAELP C[N@@H+]1CC[C@]([NH3+])(CC2CCCC2)C1 219035148 344419028 /nfs/dbraw/zinc/41/90/28/344419028.db2.gz XZDRWEAIFNOXLX-NSHDSACASA-N 2 2 182.311 1.600 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(CC2CCCC2)C1 219035148 344419030 /nfs/dbraw/zinc/41/90/30/344419030.db2.gz XZDRWEAIFNOXLX-NSHDSACASA-N 2 2 182.311 1.600 10 0 ADAELP C[N@@H+]1CC[C@@]([NH3+])(CC2CCCC2)C1 219035221 344419265 /nfs/dbraw/zinc/41/92/65/344419265.db2.gz XZDRWEAIFNOXLX-LLVKDONJSA-N 2 2 182.311 1.600 10 0 ADAELP C[N@H+]1CC[C@@]([NH3+])(CC2CCCC2)C1 219035221 344419268 /nfs/dbraw/zinc/41/92/68/344419268.db2.gz XZDRWEAIFNOXLX-LLVKDONJSA-N 2 2 182.311 1.600 10 0 ADAELP Cc1c[nH+]c(NCC[NH3+])c(C)c1 219388529 344423687 /nfs/dbraw/zinc/42/36/87/344423687.db2.gz GWAYFRZTPIAPTH-UHFFFAOYSA-N 2 2 165.240 1.069 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@H]([NH3+])[C@@H]1n1cc[nH+]c1 219483200 344424649 /nfs/dbraw/zinc/42/46/49/344424649.db2.gz LXFPCWLCNOXMEJ-VPOLOUISSA-N 2 2 193.294 1.818 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 219598731 344425523 /nfs/dbraw/zinc/42/55/23/344425523.db2.gz ZCGGWUZRTUJFGC-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 219598731 344425526 /nfs/dbraw/zinc/42/55/26/344425526.db2.gz ZCGGWUZRTUJFGC-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)[C@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 219603598 344425538 /nfs/dbraw/zinc/42/55/38/344425538.db2.gz BLYGHJHKQUCNSB-WOPDTQHZSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)[C@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 219603598 344425542 /nfs/dbraw/zinc/42/55/42/344425542.db2.gz BLYGHJHKQUCNSB-WOPDTQHZSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+]([C@H](C)C2CC2)C1 219601057 344425605 /nfs/dbraw/zinc/42/56/05/344425605.db2.gz KYMJCGLCVCZEHH-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+]([C@H](C)C2CC2)C1 219601057 344425608 /nfs/dbraw/zinc/42/56/08/344425608.db2.gz KYMJCGLCVCZEHH-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 219596515 344425626 /nfs/dbraw/zinc/42/56/26/344425626.db2.gz GBTHFTLIPFKVTG-GHMZBOCLSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 219596515 344425627 /nfs/dbraw/zinc/42/56/27/344425627.db2.gz GBTHFTLIPFKVTG-GHMZBOCLSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CC[NH2+][C@@H](C)CC1 219596610 344425656 /nfs/dbraw/zinc/42/56/56/344425656.db2.gz JBZPSYQRUAMKMM-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CC[NH2+][C@@H](C)CC1 219596610 344425657 /nfs/dbraw/zinc/42/56/57/344425657.db2.gz JBZPSYQRUAMKMM-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C[C@@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 219600847 344425686 /nfs/dbraw/zinc/42/56/86/344425686.db2.gz MXGKTOAVFWIKTM-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)C[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 219600847 344425688 /nfs/dbraw/zinc/42/56/88/344425688.db2.gz MXGKTOAVFWIKTM-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 219598657 344425716 /nfs/dbraw/zinc/42/57/16/344425716.db2.gz ZCGGWUZRTUJFGC-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 219598657 344425718 /nfs/dbraw/zinc/42/57/18/344425718.db2.gz ZCGGWUZRTUJFGC-NXEZZACHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 219603457 344425766 /nfs/dbraw/zinc/42/57/66/344425766.db2.gz BLYGHJHKQUCNSB-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)[C@@H](C)[N@H+]1CC[NH2+]C[C@@H](C)C1 219603457 344425768 /nfs/dbraw/zinc/42/57/68/344425768.db2.gz BLYGHJHKQUCNSB-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1CC[N@H+]([C@H](C)C2CC2)CC[NH2+]1 219601140 344425795 /nfs/dbraw/zinc/42/57/95/344425795.db2.gz JDFYHHUWUXLINY-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[N@@H+]([C@H](C)C2CC2)CC[NH2+]1 219601140 344425796 /nfs/dbraw/zinc/42/57/96/344425796.db2.gz JDFYHHUWUXLINY-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@]1(C[N@@H+]2CC[C@@H](C)C2)CCC[NH2+]1 219668889 344426835 /nfs/dbraw/zinc/42/68/35/344426835.db2.gz SESVEFYKEBGPJW-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@]1(C[N@H+]2CC[C@@H](C)C2)CCC[NH2+]1 219668889 344426838 /nfs/dbraw/zinc/42/68/38/344426838.db2.gz SESVEFYKEBGPJW-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[N@H+]([C@H](C)[C@H](C)[NH3+])C[C@@H]1C 219674706 344426890 /nfs/dbraw/zinc/42/68/90/344426890.db2.gz OJINWZZHDRQMRG-QCLAVDOMSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)[C@H](C)[NH3+])C[C@@H]1C 219674706 344426893 /nfs/dbraw/zinc/42/68/93/344426893.db2.gz OJINWZZHDRQMRG-QCLAVDOMSA-N 2 2 170.300 1.310 10 0 ADAELP CC[C@]1(C[N@@H+]2CC[C@@H](C)C2)CCC[NH2+]1 219668966 344426901 /nfs/dbraw/zinc/42/69/01/344426901.db2.gz SESVEFYKEBGPJW-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@]1(C[N@H+]2CC[C@@H](C)C2)CCC[NH2+]1 219668966 344426902 /nfs/dbraw/zinc/42/69/02/344426902.db2.gz SESVEFYKEBGPJW-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 219674773 344427026 /nfs/dbraw/zinc/42/70/26/344427026.db2.gz OJINWZZHDRQMRG-JXUBOQSCSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219674773 344427027 /nfs/dbraw/zinc/42/70/27/344427027.db2.gz OJINWZZHDRQMRG-JXUBOQSCSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@H+]([C@H]2CCC[NH2+]C2)C[C@@H]1C 219683337 344427107 /nfs/dbraw/zinc/42/71/07/344427107.db2.gz JIAQNBRJHVHORG-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)C[C@@H]1C 219683337 344427108 /nfs/dbraw/zinc/42/71/08/344427108.db2.gz JIAQNBRJHVHORG-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 219650123 344427136 /nfs/dbraw/zinc/42/71/36/344427136.db2.gz NAWQLDAXCCIZJL-LMLFDSFASA-N 2 2 184.327 1.571 10 0 ADAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 219650123 344427137 /nfs/dbraw/zinc/42/71/37/344427137.db2.gz NAWQLDAXCCIZJL-LMLFDSFASA-N 2 2 184.327 1.571 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 219843528 344428799 /nfs/dbraw/zinc/42/87/99/344428799.db2.gz SXJBJZLSICVHDK-OUAUKWLOSA-N 2 2 184.327 1.558 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 219843528 344428802 /nfs/dbraw/zinc/42/88/02/344428802.db2.gz SXJBJZLSICVHDK-OUAUKWLOSA-N 2 2 184.327 1.558 10 0 ADAELP CC(C)[C@H]([NH3+])C[NH+]1C[C@H](C)[C@@H](C)C1 219843571 344429032 /nfs/dbraw/zinc/42/90/32/344429032.db2.gz SXJBJZLSICVHDK-GARJFASQSA-N 2 2 184.327 1.558 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H](C)C1 220368650 344431960 /nfs/dbraw/zinc/43/19/60/344431960.db2.gz NJNLQPWRYMMOAS-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H](C)C1 220368650 344431962 /nfs/dbraw/zinc/43/19/62/344431962.db2.gz NJNLQPWRYMMOAS-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCC[NH2+]1 220368572 344432073 /nfs/dbraw/zinc/43/20/73/344432073.db2.gz NJNLQPWRYMMOAS-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]1 220368572 344432078 /nfs/dbraw/zinc/43/20/78/344432078.db2.gz NJNLQPWRYMMOAS-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1c[nH+]cc(N[C@@H]2CC[NH2+]C2)c1 220612236 344433586 /nfs/dbraw/zinc/43/35/86/344433586.db2.gz PNGFPMUHJXWYNV-SECBINFHSA-N 2 2 177.251 1.164 10 0 ADAELP Cc1c[nH+]cc(N[C@H]2CC[NH2+]C2)c1 220612287 344433975 /nfs/dbraw/zinc/43/39/75/344433975.db2.gz PNGFPMUHJXWYNV-VIFPVBQESA-N 2 2 177.251 1.164 10 0 ADAELP C[C@H]1C[C@H](C)CC[N@@H+]1CC1([NH3+])CCC1 220715133 344434666 /nfs/dbraw/zinc/43/46/66/344434666.db2.gz MYWCAVBQYQDJQG-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1C[C@H](C)CC[N@H+]1CC1([NH3+])CCC1 220715133 344434670 /nfs/dbraw/zinc/43/46/70/344434670.db2.gz MYWCAVBQYQDJQG-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@@H+](CC2([NH3+])CCC2)[C@@H](C)C1 220715201 344434782 /nfs/dbraw/zinc/43/47/82/344434782.db2.gz MYWCAVBQYQDJQG-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@H+](CC2([NH3+])CCC2)[C@@H](C)C1 220715201 344434779 /nfs/dbraw/zinc/43/47/79/344434779.db2.gz MYWCAVBQYQDJQG-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP 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CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C)[C@@H]1C 224681042 344472183 /nfs/dbraw/zinc/47/21/83/344472183.db2.gz DFBMHIIQBIKOFB-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](C)[C@@H]1C 224681042 344472185 /nfs/dbraw/zinc/47/21/85/344472185.db2.gz DFBMHIIQBIKOFB-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCC[N@H+](C[C@@](C)([NH3+])C2CC2)C1 224924639 344474637 /nfs/dbraw/zinc/47/46/37/344474637.db2.gz DWQUPXYZHUUABC-CMPLNLGQSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1CCC[N@@H+](C[C@@](C)([NH3+])C2CC2)C1 224924639 344474639 /nfs/dbraw/zinc/47/46/39/344474639.db2.gz DWQUPXYZHUUABC-CMPLNLGQSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1CCCC[N@@H+]1C[C@@](C)([NH3+])C1CC1 224924472 344474711 /nfs/dbraw/zinc/47/47/11/344474711.db2.gz LOIRGQGHAXGVGH-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCCC[N@H+]1C[C@@](C)([NH3+])C1CC1 224924472 344474714 /nfs/dbraw/zinc/47/47/14/344474714.db2.gz LOIRGQGHAXGVGH-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[N@H+](C[C@@](C)([NH3+])C2CC2)C1 224924595 344474766 /nfs/dbraw/zinc/47/47/66/344474766.db2.gz DWQUPXYZHUUABC-ZYHUDNBSSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[N@@H+](C[C@@](C)([NH3+])C2CC2)C1 224924595 344474769 /nfs/dbraw/zinc/47/47/69/344474769.db2.gz DWQUPXYZHUUABC-ZYHUDNBSSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1C[C@@](C)([NH3+])C1CC1 224924430 344474809 /nfs/dbraw/zinc/47/48/09/344474809.db2.gz LOIRGQGHAXGVGH-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCCC[N@H+]1C[C@@](C)([NH3+])C1CC1 224924430 344474810 /nfs/dbraw/zinc/47/48/10/344474810.db2.gz LOIRGQGHAXGVGH-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]([NH3+])C1CC1 225492674 344482511 /nfs/dbraw/zinc/48/25/11/344482511.db2.gz OXQFZWMLZQYADI-CKYFFXLPSA-N 2 2 196.338 1.987 10 0 ADAELP CC[C@@H]1CC[NH2+][C@@H]([C@@H](F)C[NH3+])C1 225676388 344483806 /nfs/dbraw/zinc/48/38/06/344483806.db2.gz NVOBSHPTQHIUIK-HRDYMLBCSA-N 2 2 174.263 1.061 10 0 ADAELP 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C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H](C)C1 225757186 344486383 /nfs/dbraw/zinc/48/63/83/344486383.db2.gz OIPXGATZEWTWCX-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[C@H](C)CC[N@@H+]1CC(C)(C)[NH3+] 225757161 344486574 /nfs/dbraw/zinc/48/65/74/344486574.db2.gz OIPXGATZEWTWCX-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[C@H](C)CC[N@H+]1CC(C)(C)[NH3+] 225757161 344486575 /nfs/dbraw/zinc/48/65/75/344486575.db2.gz OIPXGATZEWTWCX-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 225835476 344487990 /nfs/dbraw/zinc/48/79/90/344487990.db2.gz ZLILQBNXEIEVIO-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 225835476 344487991 /nfs/dbraw/zinc/48/79/91/344487991.db2.gz ZLILQBNXEIEVIO-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 225835459 344488094 /nfs/dbraw/zinc/48/80/94/344488094.db2.gz ZLILQBNXEIEVIO-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH2+][C@@H](C)C1 225835327 344488133 /nfs/dbraw/zinc/48/81/33/344488133.db2.gz WMAAOASPXUJKSJ-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 225835327 344488135 /nfs/dbraw/zinc/48/81/35/344488135.db2.gz WMAAOASPXUJKSJ-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH2+][C@@H](C)C1 225835346 344488159 /nfs/dbraw/zinc/48/81/59/344488159.db2.gz WMAAOASPXUJKSJ-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 225835346 344488162 /nfs/dbraw/zinc/48/81/62/344488162.db2.gz WMAAOASPXUJKSJ-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H]1C[N@H+]([C@H](C)CC)CCC[NH2+]1 225835285 344488228 /nfs/dbraw/zinc/48/82/28/344488228.db2.gz VZVYHEWHGHOQSB-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H]1C[N@@H+]([C@H](C)CC)CCC[NH2+]1 225835285 344488231 /nfs/dbraw/zinc/48/82/31/344488231.db2.gz VZVYHEWHGHOQSB-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CCC[NH2+][C@@H](C)C1 225842502 344489053 /nfs/dbraw/zinc/48/90/53/344489053.db2.gz AOPNOAJPZDBRJT-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CCC[NH2+][C@@H](C)C1 225842502 344489055 /nfs/dbraw/zinc/48/90/55/344489055.db2.gz AOPNOAJPZDBRJT-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1C[N@H+]([C@H](C)C2CC2)CCC[NH2+]1 225845310 344489165 /nfs/dbraw/zinc/48/91/65/344489165.db2.gz GINAESPNDZLUGK-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+]([C@H](C)C2CC2)CCC[NH2+]1 225845310 344489167 /nfs/dbraw/zinc/48/91/67/344489167.db2.gz GINAESPNDZLUGK-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@H]1C[NH2+]C[C@H]1C 226042111 344491200 /nfs/dbraw/zinc/49/12/00/344491200.db2.gz NCXSMFGGOCLJGU-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@H]1C[NH2+]C[C@H]1C 226042111 344491204 /nfs/dbraw/zinc/49/12/04/344491204.db2.gz NCXSMFGGOCLJGU-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1C[NH2+]C[C@@H]1C 226045292 344491269 /nfs/dbraw/zinc/49/12/69/344491269.db2.gz RJNSFTGELDSTKC-SDDRHHMPSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1C[NH2+]C[C@@H]1C 226045292 344491271 /nfs/dbraw/zinc/49/12/71/344491271.db2.gz RJNSFTGELDSTKC-SDDRHHMPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@@H]1C[NH2+]C[C@H]1C 226042134 344491297 /nfs/dbraw/zinc/49/12/97/344491297.db2.gz NCXSMFGGOCLJGU-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@@H]1C[NH2+]C[C@H]1C 226042134 344491300 /nfs/dbraw/zinc/49/13/00/344491300.db2.gz NCXSMFGGOCLJGU-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP CC[N@@H+]1CCO[C@@H]([C@@H]([NH3+])C=C(C)C)C1 226096472 344492365 /nfs/dbraw/zinc/49/23/65/344492365.db2.gz CWAHBERXCFTOIV-WDEREUQCSA-N 2 2 198.310 1.001 10 0 ADAELP CC[N@H+]1CCO[C@@H]([C@@H]([NH3+])C=C(C)C)C1 226096472 344492368 /nfs/dbraw/zinc/49/23/68/344492368.db2.gz CWAHBERXCFTOIV-WDEREUQCSA-N 2 2 198.310 1.001 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC[C@H]2CCCC[C@H]21 226111042 344492553 /nfs/dbraw/zinc/49/25/53/344492553.db2.gz RWOXPDDVWGUIPB-NXEZZACHSA-N 2 2 195.310 1.577 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC[C@H]2CCCC[C@H]21 226111042 344492556 /nfs/dbraw/zinc/49/25/56/344492556.db2.gz RWOXPDDVWGUIPB-NXEZZACHSA-N 2 2 195.310 1.577 10 0 ADAELP CC[N@@H+]1CCO[C@H]([C@@H]([NH3+])C=C(C)C)C1 226096485 344492605 /nfs/dbraw/zinc/49/26/05/344492605.db2.gz CWAHBERXCFTOIV-QWRGUYRKSA-N 2 2 198.310 1.001 10 0 ADAELP CC[N@H+]1CCO[C@H]([C@@H]([NH3+])C=C(C)C)C1 226096485 344492607 /nfs/dbraw/zinc/49/26/07/344492607.db2.gz CWAHBERXCFTOIV-QWRGUYRKSA-N 2 2 198.310 1.001 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]2CCCC[C@H]21 226100054 344492759 /nfs/dbraw/zinc/49/27/59/344492759.db2.gz DDMAFAWOBFPRTG-QJPTWQEYSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CCC[C@H]2CCCC[C@H]21 226100054 344492760 /nfs/dbraw/zinc/49/27/60/344492760.db2.gz DDMAFAWOBFPRTG-QJPTWQEYSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C1 226147957 344493032 /nfs/dbraw/zinc/49/30/32/344493032.db2.gz BDDAFNKWRKTFBD-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C1 226147957 344493033 /nfs/dbraw/zinc/49/30/33/344493033.db2.gz BDDAFNKWRKTFBD-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CC[N@H+]([C@H](C)CC2CC2)CC[NH2+]1 226140273 344493073 /nfs/dbraw/zinc/49/30/73/344493073.db2.gz VCFMTPBYADHPAJ-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@@H+]([C@H](C)CC2CC2)CC[NH2+]1 226140273 344493075 /nfs/dbraw/zinc/49/30/75/344493075.db2.gz VCFMTPBYADHPAJ-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@@H]([NH3+])c1ccccc1 226274646 344497343 /nfs/dbraw/zinc/49/73/43/344497343.db2.gz SYNTVWMAQHLEHZ-CMPLNLGQSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@@H]([NH3+])c1ccccc1 226274646 344497345 /nfs/dbraw/zinc/49/73/45/344497345.db2.gz SYNTVWMAQHLEHZ-CMPLNLGQSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@@H]([NH3+])c1ccccc1 226274634 344497634 /nfs/dbraw/zinc/49/76/34/344497634.db2.gz SYNTVWMAQHLEHZ-ZYHUDNBSSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@@H]([NH3+])c1ccccc1 226274634 344497635 /nfs/dbraw/zinc/49/76/35/344497635.db2.gz SYNTVWMAQHLEHZ-ZYHUDNBSSA-N 2 2 190.290 1.781 10 0 ADAELP CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226297266 344497845 /nfs/dbraw/zinc/49/78/45/344497845.db2.gz NYSCOXZPIXIVIL-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226297266 344497848 /nfs/dbraw/zinc/49/78/48/344497848.db2.gz NYSCOXZPIXIVIL-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226298326 344497892 /nfs/dbraw/zinc/49/78/92/344497892.db2.gz DBNCKOCXXGEULD-AXFHLTTASA-N 2 2 184.327 1.702 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226298326 344497894 /nfs/dbraw/zinc/49/78/94/344497894.db2.gz DBNCKOCXXGEULD-AXFHLTTASA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226299536 344497985 /nfs/dbraw/zinc/49/79/85/344497985.db2.gz LNZLNLVTZOUWQQ-MXWKQRLJSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226299536 344497986 /nfs/dbraw/zinc/49/79/86/344497986.db2.gz LNZLNLVTZOUWQQ-MXWKQRLJSA-N 2 2 184.327 1.700 10 0 ADAELP CCC(CC)[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226296981 344498001 /nfs/dbraw/zinc/49/80/01/344498001.db2.gz NMERVZMPAONJQW-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(CC)[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226296981 344498003 /nfs/dbraw/zinc/49/80/03/344498003.db2.gz NMERVZMPAONJQW-ONGXEEELSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C[C@@H]1[NH3+] 226296178 344498060 /nfs/dbraw/zinc/49/80/60/344498060.db2.gz HGHMSVTXVHVYBS-KKZNHRDASA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C[C@@H]1[NH3+] 226296178 344498062 /nfs/dbraw/zinc/49/80/62/344498062.db2.gz HGHMSVTXVHVYBS-KKZNHRDASA-N 2 2 182.311 1.454 10 0 ADAELP CCC(CC)[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226296975 344498222 /nfs/dbraw/zinc/49/82/22/344498222.db2.gz NMERVZMPAONJQW-KOLCDFICSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(CC)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226296975 344498224 /nfs/dbraw/zinc/49/82/24/344498224.db2.gz NMERVZMPAONJQW-KOLCDFICSA-N 2 2 184.327 1.844 10 0 ADAELP C/C=C/C[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226308525 344498501 /nfs/dbraw/zinc/49/85/01/344498501.db2.gz LUIUAWPERIQUOM-OHINUGQQSA-N 2 2 168.284 1.232 10 0 ADAELP C/C=C/C[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226308525 344498502 /nfs/dbraw/zinc/49/85/02/344498502.db2.gz LUIUAWPERIQUOM-OHINUGQQSA-N 2 2 168.284 1.232 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@@H]1CCCC[C@H]1[NH3+] 226347488 344500455 /nfs/dbraw/zinc/50/04/55/344500455.db2.gz UKKNHMIJOZZAGT-HBNTYKKESA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1[NH3+] 226347488 344500457 /nfs/dbraw/zinc/50/04/57/344500457.db2.gz UKKNHMIJOZZAGT-HBNTYKKESA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@H]1CCCC[C@H]1[NH3+] 226347482 344500462 /nfs/dbraw/zinc/50/04/62/344500462.db2.gz UKKNHMIJOZZAGT-GMTAPVOTSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@H]1[NH3+] 226347482 344500463 /nfs/dbraw/zinc/50/04/63/344500463.db2.gz UKKNHMIJOZZAGT-GMTAPVOTSA-N 2 2 182.311 1.741 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCSC[C@@H]1C 226403358 344501593 /nfs/dbraw/zinc/50/15/93/344501593.db2.gz DKJWXIPTVQEEOP-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCSC[C@@H]1C 226403358 344501594 /nfs/dbraw/zinc/50/15/94/344501594.db2.gz DKJWXIPTVQEEOP-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP C[C@@H]1CC[C@@H](C)[N@H+](CC(N)=[NH2+])C1 226403759 344501728 /nfs/dbraw/zinc/50/17/28/344501728.db2.gz UARLOYNSFUVPLR-HTQZYQBOSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=[NH2+])C1 226403759 344501730 /nfs/dbraw/zinc/50/17/30/344501730.db2.gz UARLOYNSFUVPLR-HTQZYQBOSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+](CC(N)=[NH2+])C1 226403766 344501784 /nfs/dbraw/zinc/50/17/84/344501784.db2.gz UARLOYNSFUVPLR-JGVFFNPUSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+](CC(N)=[NH2+])C1 226403766 344501786 /nfs/dbraw/zinc/50/17/86/344501786.db2.gz UARLOYNSFUVPLR-JGVFFNPUSA-N 2 2 169.272 1.043 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C1 226509040 344505162 /nfs/dbraw/zinc/50/51/62/344505162.db2.gz HDSDTGBDUSGHAQ-MNOVXSKESA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C1 226509040 344505163 /nfs/dbraw/zinc/50/51/63/344505163.db2.gz HDSDTGBDUSGHAQ-MNOVXSKESA-N 2 2 180.295 1.389 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 226509033 344505273 /nfs/dbraw/zinc/50/52/73/344505273.db2.gz HDSDTGBDUSGHAQ-GHMZBOCLSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 226509033 344505275 /nfs/dbraw/zinc/50/52/75/344505275.db2.gz HDSDTGBDUSGHAQ-GHMZBOCLSA-N 2 2 180.295 1.389 10 0 ADAELP C[C@H]1C[N@H+]([C@H](C)C[NH3+])C[C@@H](C)S1 226666598 344509544 /nfs/dbraw/zinc/50/95/44/344509544.db2.gz CZXVUUCEJLGYRC-HLTSFMKQSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]1C[N@@H+]([C@H](C)C[NH3+])C[C@@H](C)S1 226666598 344509541 /nfs/dbraw/zinc/50/95/41/344509541.db2.gz CZXVUUCEJLGYRC-HLTSFMKQSA-N 2 2 188.340 1.159 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+]1CCC[C@@H](C)C1 226692674 344510272 /nfs/dbraw/zinc/51/02/72/344510272.db2.gz SHFQHRXYGHDMEP-MNOVXSKESA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+]1CCC[C@@H](C)C1 226692674 344510273 /nfs/dbraw/zinc/51/02/73/344510273.db2.gz SHFQHRXYGHDMEP-MNOVXSKESA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+]1CCC[C@@H](C)C1 226692667 344510379 /nfs/dbraw/zinc/51/03/79/344510379.db2.gz SHFQHRXYGHDMEP-GHMZBOCLSA-N 2 2 184.327 1.846 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+]1CCC[C@@H](C)C1 226692667 344510382 /nfs/dbraw/zinc/51/03/82/344510382.db2.gz SHFQHRXYGHDMEP-GHMZBOCLSA-N 2 2 184.327 1.846 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCCC[C@@H]1C 226732157 344511211 /nfs/dbraw/zinc/51/12/11/344511211.db2.gz FWWOQKBJYYPGJB-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCCC[C@@H]1C 226732157 344511212 /nfs/dbraw/zinc/51/12/12/344511212.db2.gz FWWOQKBJYYPGJB-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCCCC[C@@H]1C 226730998 344511220 /nfs/dbraw/zinc/51/12/20/344511220.db2.gz GVCMVHMQKAMIEH-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCCCC[C@@H]1C 226730998 344511221 /nfs/dbraw/zinc/51/12/21/344511221.db2.gz GVCMVHMQKAMIEH-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCCC[C@@H]1C 226732167 344511388 /nfs/dbraw/zinc/51/13/88/344511388.db2.gz FWWOQKBJYYPGJB-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCCC[C@@H]1C 226732167 344511390 /nfs/dbraw/zinc/51/13/90/344511390.db2.gz FWWOQKBJYYPGJB-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+]1CCCCC[C@@H]1C 226744637 344511809 /nfs/dbraw/zinc/51/18/09/344511809.db2.gz AJRTUBMZJFXROQ-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1CCC[N@H+]1C[C@@H]1[NH2+]CC[C@H]1C 226858441 344515786 /nfs/dbraw/zinc/51/57/86/344515786.db2.gz MEALPIJSCDMVCG-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CCC[N@@H+]1C[C@@H]1[NH2+]CC[C@H]1C 226858441 344515788 /nfs/dbraw/zinc/51/57/88/344515788.db2.gz MEALPIJSCDMVCG-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[NH+]1CCCCCC1 226853365 344515833 /nfs/dbraw/zinc/51/58/33/344515833.db2.gz XYRNBEVZFAVXGF-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[N@H+]1C[C@H]1[NH2+]CC[C@H]1C 226858424 344515862 /nfs/dbraw/zinc/51/58/62/344515862.db2.gz MEALPIJSCDMVCG-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CCC[N@@H+]1C[C@H]1[NH2+]CC[C@H]1C 226858424 344515863 /nfs/dbraw/zinc/51/58/63/344515863.db2.gz MEALPIJSCDMVCG-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@@H]1[NH2+]CC[C@@H]1C 226858507 344515947 /nfs/dbraw/zinc/51/59/47/344515947.db2.gz LMLWLKIXCITDEJ-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[NH+]1CCCCCC1 226853372 344515960 /nfs/dbraw/zinc/51/59/60/344515960.db2.gz XYRNBEVZFAVXGF-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[NH+]1CCCCCC1 226853377 344515999 /nfs/dbraw/zinc/51/59/99/344515999.db2.gz XYRNBEVZFAVXGF-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[NH+]1CCCCCC1 226853386 344516035 /nfs/dbraw/zinc/51/60/35/344516035.db2.gz XYRNBEVZFAVXGF-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@H+]1CC[C@@H](C)C1 226860620 344516050 /nfs/dbraw/zinc/51/60/50/344516050.db2.gz OWLAKGTZVBNNLH-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@@H+]1CC[C@@H](C)C1 226860620 344516053 /nfs/dbraw/zinc/51/60/53/344516053.db2.gz OWLAKGTZVBNNLH-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CCCC1(C)C 226868460 344516268 /nfs/dbraw/zinc/51/62/68/344516268.db2.gz GBHLYWQHDYUKOD-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CCCC1(C)C 226868460 344516269 /nfs/dbraw/zinc/51/62/69/344516269.db2.gz GBHLYWQHDYUKOD-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CC=CCC1 226875310 344516280 /nfs/dbraw/zinc/51/62/80/344516280.db2.gz DANUKYRZIPVMMV-GHMZBOCLSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CC=CCC1 226875310 344516281 /nfs/dbraw/zinc/51/62/81/344516281.db2.gz DANUKYRZIPVMMV-GHMZBOCLSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@@H+]1CCCC1(C)C 226868462 344516284 /nfs/dbraw/zinc/51/62/84/344516284.db2.gz GBHLYWQHDYUKOD-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2[NH2+]CC[C@H]2C)C[C@@H]1C 226871199 344516313 /nfs/dbraw/zinc/51/63/13/344516313.db2.gz GLQSIJMQWLNVQH-WYUUTHIRSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2[NH2+]CC[C@H]2C)C[C@@H]1C 226871199 344516314 /nfs/dbraw/zinc/51/63/14/344516314.db2.gz GLQSIJMQWLNVQH-WYUUTHIRSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@H+]1CC=CCC1 226875324 344516362 /nfs/dbraw/zinc/51/63/62/344516362.db2.gz DANUKYRZIPVMMV-QWRGUYRKSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@@H+]1CC=CCC1 226875324 344516364 /nfs/dbraw/zinc/51/63/64/344516364.db2.gz DANUKYRZIPVMMV-QWRGUYRKSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@@H+]1CCCC1(C)C 226868468 344516397 /nfs/dbraw/zinc/51/63/97/344516397.db2.gz GBHLYWQHDYUKOD-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@H+]1CCCC1(C)C 226868468 344516399 /nfs/dbraw/zinc/51/63/99/344516399.db2.gz GBHLYWQHDYUKOD-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@H+]1CC=CCC1 226875315 344516504 /nfs/dbraw/zinc/51/65/04/344516504.db2.gz DANUKYRZIPVMMV-WDEREUQCSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@@H+]1CC=CCC1 226875315 344516506 /nfs/dbraw/zinc/51/65/06/344516506.db2.gz DANUKYRZIPVMMV-WDEREUQCSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@@H+]1CCCC1(C)C 226868472 344516526 /nfs/dbraw/zinc/51/65/26/344516526.db2.gz GBHLYWQHDYUKOD-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[N@H+]1CCCC1(C)C 226868472 344516528 /nfs/dbraw/zinc/51/65/28/344516528.db2.gz GBHLYWQHDYUKOD-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@H+]1CC=CCC1 226875320 344516556 /nfs/dbraw/zinc/51/65/56/344516556.db2.gz DANUKYRZIPVMMV-MNOVXSKESA-N 2 2 180.295 1.246 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@@H+]1CC=CCC1 226875320 344516558 /nfs/dbraw/zinc/51/65/58/344516558.db2.gz DANUKYRZIPVMMV-MNOVXSKESA-N 2 2 180.295 1.246 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2[NH2+]CC[C@@H]2C)C[C@@H]1C 226871205 344516570 /nfs/dbraw/zinc/51/65/70/344516570.db2.gz GLQSIJMQWLNVQH-YFKTTZPYSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2[NH2+]CC[C@@H]2C)C[C@@H]1C 226871205 344516572 /nfs/dbraw/zinc/51/65/72/344516572.db2.gz GLQSIJMQWLNVQH-YFKTTZPYSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CCC(C)(C)C1 226871734 344516603 /nfs/dbraw/zinc/51/66/03/344516603.db2.gz VHQLMVRUBZIYFT-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CCC(C)(C)C1 226871734 344516606 /nfs/dbraw/zinc/51/66/06/344516606.db2.gz VHQLMVRUBZIYFT-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CC[C@@H](C)C1 226933905 344517425 /nfs/dbraw/zinc/51/74/25/344517425.db2.gz LWFHPQVZIZXLRR-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@H+]1CC[C@@H](C)C1 226933905 344517427 /nfs/dbraw/zinc/51/74/27/344517427.db2.gz LWFHPQVZIZXLRR-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)[C@H]1C[N@H+](C)[C@](C)(C2CC2)C[NH2+]1 226938032 344517435 /nfs/dbraw/zinc/51/74/35/344517435.db2.gz KRCJTEISJSZDGI-NEPJUHHUSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@H]1C[N@@H+](C)[C@](C)(C2CC2)C[NH2+]1 226938032 344517436 /nfs/dbraw/zinc/51/74/36/344517436.db2.gz KRCJTEISJSZDGI-NEPJUHHUSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CC[C@@H](C)C1 226933890 344517489 /nfs/dbraw/zinc/51/74/89/344517489.db2.gz LWFHPQVZIZXLRR-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CC[C@@H](C)C1 226933890 344517490 /nfs/dbraw/zinc/51/74/90/344517490.db2.gz LWFHPQVZIZXLRR-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)[C@@H]1C[N@H+](C)[C@](C)(C2CC2)C[NH2+]1 226938026 344517527 /nfs/dbraw/zinc/51/75/27/344517527.db2.gz KRCJTEISJSZDGI-RYUDHWBXSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@@H]1C[N@@H+](C)[C@](C)(C2CC2)C[NH2+]1 226938026 344517528 /nfs/dbraw/zinc/51/75/28/344517528.db2.gz KRCJTEISJSZDGI-RYUDHWBXSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 227084946 344521309 /nfs/dbraw/zinc/52/13/09/344521309.db2.gz DYPHALYSLNPKGP-AXFHLTTASA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 227084946 344521312 /nfs/dbraw/zinc/52/13/12/344521312.db2.gz DYPHALYSLNPKGP-AXFHLTTASA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 227084954 344521630 /nfs/dbraw/zinc/52/16/30/344521630.db2.gz DYPHALYSLNPKGP-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 227084954 344521634 /nfs/dbraw/zinc/52/16/34/344521634.db2.gz DYPHALYSLNPKGP-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 227084933 344521673 /nfs/dbraw/zinc/52/16/73/344521673.db2.gz DYPHALYSLNPKGP-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 227084933 344521676 /nfs/dbraw/zinc/52/16/76/344521676.db2.gz DYPHALYSLNPKGP-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 227084960 344521746 /nfs/dbraw/zinc/52/17/46/344521746.db2.gz DYPHALYSLNPKGP-HBNTYKKESA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CCC[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 227084960 344521748 /nfs/dbraw/zinc/52/17/48/344521748.db2.gz DYPHALYSLNPKGP-HBNTYKKESA-N 2 2 182.311 1.598 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2C)C1 227084126 344521799 /nfs/dbraw/zinc/52/17/99/344521799.db2.gz RYZDWVZHLXPXTO-IVZWLZJFSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[C@@H](C)C[N@@H+]1CC[NH2+][C@@H](C)CC1 227086858 344522168 /nfs/dbraw/zinc/52/21/68/344522168.db2.gz ZADVFXBXMSMSPP-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[C@@H](C)C[N@H+]1CC[NH2+][C@@H](C)CC1 227086858 344522172 /nfs/dbraw/zinc/52/21/72/344522172.db2.gz ZADVFXBXMSMSPP-RYUDHWBXSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]2)C1 227087381 344522226 /nfs/dbraw/zinc/52/22/26/344522226.db2.gz XGHSCYWBAWWIKK-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]2)C1 227087381 344522227 /nfs/dbraw/zinc/52/22/27/344522227.db2.gz XGHSCYWBAWWIKK-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[C@@H](C)C[N@@H+]1CC[NH2+]C[C@@H](C)C1 227086878 344522252 /nfs/dbraw/zinc/52/22/52/344522252.db2.gz PTZGAXUZKLDZNY-NEPJUHHUSA-N 2 2 198.354 1.820 10 0 ADAELP CC(C)[C@@H](C)C[N@H+]1CC[NH2+]C[C@@H](C)C1 227086878 344522257 /nfs/dbraw/zinc/52/22/57/344522257.db2.gz PTZGAXUZKLDZNY-NEPJUHHUSA-N 2 2 198.354 1.820 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CC2(C)C)C1 227087354 344522272 /nfs/dbraw/zinc/52/22/72/344522272.db2.gz DNFCNCHJMATPDV-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CC2(C)C)C1 227087354 344522276 /nfs/dbraw/zinc/52/22/76/344522276.db2.gz DNFCNCHJMATPDV-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]1 227087286 344522360 /nfs/dbraw/zinc/52/23/60/344522360.db2.gz CJLTXGJRJNMDOD-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]1 227087286 344522364 /nfs/dbraw/zinc/52/23/64/344522364.db2.gz CJLTXGJRJNMDOD-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]2)C1 227087386 344522450 /nfs/dbraw/zinc/52/24/50/344522450.db2.gz XGHSCYWBAWWIKK-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]2)C1 227087386 344522451 /nfs/dbraw/zinc/52/24/51/344522451.db2.gz XGHSCYWBAWWIKK-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CCC[N@@H+]1C[C@@]1(C)CCC[NH2+]1 227087293 344522459 /nfs/dbraw/zinc/52/24/59/344522459.db2.gz CJLTXGJRJNMDOD-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]1 227087293 344522461 /nfs/dbraw/zinc/52/24/61/344522461.db2.gz CJLTXGJRJNMDOD-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)[C@@H](C)C[N@@H+]1CCC[C@@H]([NH3+])C1 227101711 344522637 /nfs/dbraw/zinc/52/26/37/344522637.db2.gz ACCZGONWTKTTQP-WDEREUQCSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@@H](C)C[N@H+]1CCC[C@@H]([NH3+])C1 227101711 344522640 /nfs/dbraw/zinc/52/26/40/344522640.db2.gz ACCZGONWTKTTQP-WDEREUQCSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CCC[C@@H]([NH3+])C1 227101720 344522655 /nfs/dbraw/zinc/52/26/55/344522655.db2.gz ACCZGONWTKTTQP-GHMZBOCLSA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CCC[C@@H]([NH3+])C1 227101720 344522658 /nfs/dbraw/zinc/52/26/58/344522658.db2.gz ACCZGONWTKTTQP-GHMZBOCLSA-N 2 2 184.327 1.702 10 0 ADAELP C[C@H](C1CCCC1)[N@@H+]1CCC[C@@H]([NH3+])C1 227162033 344524052 /nfs/dbraw/zinc/52/40/52/344524052.db2.gz RRNNVBFXULFGLS-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H](C1CCCC1)[N@H+]1CCC[C@@H]([NH3+])C1 227162033 344524053 /nfs/dbraw/zinc/52/40/53/344524053.db2.gz RRNNVBFXULFGLS-ZYHUDNBSSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H](C1CCCC1)[N@@H+]1CCC[C@@H]([NH3+])C1 227162027 344524106 /nfs/dbraw/zinc/52/41/06/344524106.db2.gz RRNNVBFXULFGLS-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H](C1CCCC1)[N@H+]1CCC[C@@H]([NH3+])C1 227162027 344524108 /nfs/dbraw/zinc/52/41/08/344524108.db2.gz RRNNVBFXULFGLS-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@@H]2CCC[C@@H]21 227160008 344524122 /nfs/dbraw/zinc/52/41/22/344524122.db2.gz PRKZCKZHESOPQP-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCC[C@@H]2CCC[C@@H]21 227160008 344524124 /nfs/dbraw/zinc/52/41/24/344524124.db2.gz PRKZCKZHESOPQP-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H](c1ccoc1)[N@@H+]1CCC[C@@H]([NH3+])C1 227304560 344528169 /nfs/dbraw/zinc/52/81/69/344528169.db2.gz MYHSPYSGCMUMDH-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccoc1)[N@H+]1CCC[C@@H]([NH3+])C1 227304560 344528170 /nfs/dbraw/zinc/52/81/70/344528170.db2.gz MYHSPYSGCMUMDH-GXSJLCMTSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccoc1)[N@@H+]1CCC[C@@H]([NH3+])C1 227304553 344528275 /nfs/dbraw/zinc/52/82/75/344528275.db2.gz MYHSPYSGCMUMDH-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@H](c1ccoc1)[N@H+]1CCC[C@@H]([NH3+])C1 227304553 344528276 /nfs/dbraw/zinc/52/82/76/344528276.db2.gz MYHSPYSGCMUMDH-MWLCHTKSSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccoc1)[N@@H+]1CC[C@@H]([NH3+])C1 227304614 344528390 /nfs/dbraw/zinc/52/83/90/344528390.db2.gz DGXGJYWIGYWXTP-WCBMZHEXSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@H](c1ccoc1)[N@@H+]1CC[C@@H]([NH3+])C1 227304604 344528406 /nfs/dbraw/zinc/52/84/06/344528406.db2.gz DGXGJYWIGYWXTP-PSASIEDQSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@H](c1ccoc1)[N@H+]1CC[C@@H]([NH3+])C1 227304604 344528409 /nfs/dbraw/zinc/52/84/09/344528409.db2.gz DGXGJYWIGYWXTP-PSASIEDQSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@H]([NH3+])[C@H]1n1cc[nH+]c1 227335482 344528760 /nfs/dbraw/zinc/52/87/60/344528760.db2.gz LXFPCWLCNOXMEJ-RCWTZXSCSA-N 2 2 193.294 1.818 10 0 ADAELP C[C@@H]1C[C@@H](c2c[nH+]cn2C)[C@@H](C)[NH2+]1 227470639 344530831 /nfs/dbraw/zinc/53/08/31/344530831.db2.gz STQRKBIEORDEJQ-IWSPIJDZSA-N 2 2 179.267 1.274 10 0 ADAELP C[C@@H]1C[C@H](c2c[nH+]cn2C)[C@@H](C)[NH2+]1 227470623 344530975 /nfs/dbraw/zinc/53/09/75/344530975.db2.gz STQRKBIEORDEJQ-HLTSFMKQSA-N 2 2 179.267 1.274 10 0 ADAELP CNc1cc(-n2cc[nH+]c2C)cc[nH+]1 227667544 344543116 /nfs/dbraw/zinc/54/31/16/344543116.db2.gz QMGRNBAKURDGSG-UHFFFAOYSA-N 2 2 188.234 1.617 10 0 ADAELP CNc1cc(-n2cc[nH+]c2)cc[nH+]1 227667507 344543278 /nfs/dbraw/zinc/54/32/78/344543278.db2.gz GMUAXSYGIIOIKM-UHFFFAOYSA-N 2 2 174.207 1.309 10 0 ADAELP CCc1[nH+]ccn1-c1cc[nH+]c(N)c1 227667764 344543340 /nfs/dbraw/zinc/54/33/40/344543340.db2.gz FUXHOENTLYFVIU-UHFFFAOYSA-N 2 2 188.234 1.412 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+]([C@H]2CC[C@@H](C)C2)C1 227675394 344543732 /nfs/dbraw/zinc/54/37/32/344543732.db2.gz CXEMQRMRMOTWDB-KXNHARMFSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+]([C@H]2CC[C@@H](C)C2)C1 227675394 344543734 /nfs/dbraw/zinc/54/37/34/344543734.db2.gz CXEMQRMRMOTWDB-KXNHARMFSA-N 2 2 196.338 1.844 10 0 ADAELP C/C=C/C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 227685609 344544605 /nfs/dbraw/zinc/54/46/05/344544605.db2.gz MKTHQQXIMLIRJD-HIHHVFROSA-N 2 2 168.284 1.232 10 0 ADAELP C/C=C/C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 227685609 344544607 /nfs/dbraw/zinc/54/46/07/344544607.db2.gz MKTHQQXIMLIRJD-HIHHVFROSA-N 2 2 168.284 1.232 10 0 ADAELP C/C=C/C[N@@H+]1C[C@@H](C)C[C@@H]([NH3+])C1 227685091 344544724 /nfs/dbraw/zinc/54/47/24/344544724.db2.gz MKTHQQXIMLIRJD-FCVPOFOPSA-N 2 2 168.284 1.232 10 0 ADAELP C/C=C/C[N@H+]1C[C@@H](C)C[C@@H]([NH3+])C1 227685091 344544726 /nfs/dbraw/zinc/54/47/26/344544726.db2.gz MKTHQQXIMLIRJD-FCVPOFOPSA-N 2 2 168.284 1.232 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]([N@@H+]2CCCC[C@@H]2C)C1 227936471 344551004 /nfs/dbraw/zinc/55/10/04/344551004.db2.gz MDTALNQUMVRHAL-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]([N@H+]2CCCC[C@@H]2C)C1 227936471 344551005 /nfs/dbraw/zinc/55/10/05/344551005.db2.gz MDTALNQUMVRHAL-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]([NH+]2CCCCCC2)C1 227936596 344551048 /nfs/dbraw/zinc/55/10/48/344551048.db2.gz OMEDYLMTEISSPI-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]([N@H+](C)C2CCCC2)C1 227936946 344551173 /nfs/dbraw/zinc/55/11/73/344551173.db2.gz JWYFSROBHKFMED-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]([N@@H+](C)C2CCCC2)C1 227936946 344551175 /nfs/dbraw/zinc/55/11/75/344551175.db2.gz JWYFSROBHKFMED-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]([N@H+](C)C2CCCC2)C1 227936940 344551306 /nfs/dbraw/zinc/55/13/06/344551306.db2.gz JWYFSROBHKFMED-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]([N@@H+](C)C2CCCC2)C1 227936940 344551309 /nfs/dbraw/zinc/55/13/09/344551309.db2.gz JWYFSROBHKFMED-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]([N@H+](C)C2CCCC2)C1 227936934 344551322 /nfs/dbraw/zinc/55/13/22/344551322.db2.gz JWYFSROBHKFMED-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]([N@@H+](C)C2CCCC2)C1 227936934 344551325 /nfs/dbraw/zinc/55/13/25/344551325.db2.gz JWYFSROBHKFMED-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]([NH+]2CCCCCC2)C1 227936604 344551360 /nfs/dbraw/zinc/55/13/60/344551360.db2.gz OMEDYLMTEISSPI-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2C[NH2+]C(C)(C)C2)C[C@@H]1C 227964811 344552819 /nfs/dbraw/zinc/55/28/19/344552819.db2.gz WJVUKNJGXHFZDX-AXFHLTTASA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2C[NH2+]C(C)(C)C2)C[C@@H]1C 227964811 344552822 /nfs/dbraw/zinc/55/28/22/344552822.db2.gz WJVUKNJGXHFZDX-AXFHLTTASA-N 2 2 196.338 1.715 10 0 ADAELP Cc1c[nH+]cc(N2CCC[C@@H]([NH3+])C2)c1 227965006 344552836 /nfs/dbraw/zinc/55/28/36/344552836.db2.gz XKCPCSRLCIDRSS-SNVBAGLBSA-N 2 2 191.278 1.318 10 0 ADAELP Cc1c[nH+]cc(N2CCC([NH3+])CC2)c1 227965088 344552841 /nfs/dbraw/zinc/55/28/41/344552841.db2.gz VGMXQBVKEWHQGI-UHFFFAOYSA-N 2 2 191.278 1.318 10 0 ADAELP Cc1c[nH+]cc(N2CC[C@@H](C[NH3+])C2)c1 227965030 344552911 /nfs/dbraw/zinc/55/29/11/344552911.db2.gz AWWCBBQOBGNXNV-JTQLQIEISA-N 2 2 191.278 1.175 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]C(C)(C)C2)C1 227964278 344552965 /nfs/dbraw/zinc/55/29/65/344552965.db2.gz CMLGKWGBTZHNOM-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]C(C)(C)C2)C1 227964278 344552967 /nfs/dbraw/zinc/55/29/67/344552967.db2.gz CMLGKWGBTZHNOM-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2C[NH2+]C(C)(C)C2)C[C@H]1C 227964831 344552980 /nfs/dbraw/zinc/55/29/80/344552980.db2.gz WJVUKNJGXHFZDX-MXWKQRLJSA-N 2 2 196.338 1.715 10 0 ADAELP Cc1c[nH+]cc(N2CCC[C@H]([NH3+])C2)c1 227965016 344552985 /nfs/dbraw/zinc/55/29/85/344552985.db2.gz XKCPCSRLCIDRSS-JTQLQIEISA-N 2 2 191.278 1.318 10 0 ADAELP Cc1c[nH+]cc(N2CC[C@H](C[NH3+])C2)c1 227965042 344552993 /nfs/dbraw/zinc/55/29/93/344552993.db2.gz AWWCBBQOBGNXNV-SNVBAGLBSA-N 2 2 191.278 1.175 10 0 ADAELP CC[C@H]1CC[N@@H+]([C@@H]2C[NH2+]C(C)(C)C2)C1 227964290 344553028 /nfs/dbraw/zinc/55/30/28/344553028.db2.gz CMLGKWGBTZHNOM-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[N@H+]([C@@H]2C[NH2+]C(C)(C)C2)C1 227964290 344553029 /nfs/dbraw/zinc/55/30/29/344553029.db2.gz CMLGKWGBTZHNOM-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 227964242 344553092 /nfs/dbraw/zinc/55/30/92/344553092.db2.gz PMECEWLCWODWCW-QJPTWQEYSA-N 2 2 196.338 1.572 10 0 ADAELP CC(C)[C@@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@@H]2C)C1 227964242 344553094 /nfs/dbraw/zinc/55/30/94/344553094.db2.gz PMECEWLCWODWCW-QJPTWQEYSA-N 2 2 196.338 1.572 10 0 ADAELP Cc1c[nH+]cc([C@H]2CC[C@H]([NH3+])C2)c1 227968779 344553261 /nfs/dbraw/zinc/55/32/61/344553261.db2.gz XQSDYUPGSHWOQE-ONGXEEELSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1c[nH+]cc([C@H]2CC[C@@H]([NH3+])C2)c1 227968765 344553443 /nfs/dbraw/zinc/55/34/43/344553443.db2.gz XQSDYUPGSHWOQE-GXSJLCMTSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1c[nH+]cc([C@@H]2CC[C@@H]([NH3+])C2)c1 227968752 344553558 /nfs/dbraw/zinc/55/35/58/344553558.db2.gz XQSDYUPGSHWOQE-MWLCHTKSSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1c[nH+]cc(C[C@@H](C)C[NH3+])c1 227969658 344553591 /nfs/dbraw/zinc/55/35/91/344553591.db2.gz WKHWXKYDXAHHAH-MRVPVSSYSA-N 2 2 164.252 1.527 10 0 ADAELP Cc1c[nH+]cc([C@@H]2CC[C@H]([NH3+])C2)c1 227968773 344553717 /nfs/dbraw/zinc/55/37/17/344553717.db2.gz XQSDYUPGSHWOQE-KOLCDFICSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1c[nH+]cc(CC[C@H](C)[NH3+])c1 227968730 344553732 /nfs/dbraw/zinc/55/37/32/344553732.db2.gz OCOXRFOQLGTQDJ-VIFPVBQESA-N 2 2 164.252 1.670 10 0 ADAELP Cc1c[nH+]cc(CC[C@@H](C)[NH3+])c1 227968719 344553748 /nfs/dbraw/zinc/55/37/48/344553748.db2.gz OCOXRFOQLGTQDJ-SECBINFHSA-N 2 2 164.252 1.670 10 0 ADAELP Cc1c[nH+]cc(C[C@H](C)C[NH3+])c1 227969665 344553750 /nfs/dbraw/zinc/55/37/50/344553750.db2.gz WKHWXKYDXAHHAH-QMMMGPOBSA-N 2 2 164.252 1.527 10 0 ADAELP Cc1c[nH+]cc([C@@H]2CC[C@@H]2C[NH3+])c1 227974144 344553804 /nfs/dbraw/zinc/55/38/04/344553804.db2.gz CZMPOAGECFVFGM-MWLCHTKSSA-N 2 2 176.263 1.842 10 0 ADAELP Cc1c[nH+]cc([C@@H]2CC[C@H]2C[NH3+])c1 227974162 344553881 /nfs/dbraw/zinc/55/38/81/344553881.db2.gz CZMPOAGECFVFGM-GXSJLCMTSA-N 2 2 176.263 1.842 10 0 ADAELP Cc1c[nH+]cc([C@H]2CC[C@@H]2C[NH3+])c1 227974152 344554084 /nfs/dbraw/zinc/55/40/84/344554084.db2.gz CZMPOAGECFVFGM-KOLCDFICSA-N 2 2 176.263 1.842 10 0 ADAELP Cc1c[nH+]cc([C@H]2CC[C@H]2C[NH3+])c1 227974172 344554131 /nfs/dbraw/zinc/55/41/31/344554131.db2.gz CZMPOAGECFVFGM-ONGXEEELSA-N 2 2 176.263 1.842 10 0 ADAELP CC(C)(C[NH3+])[N@@H+]1CCC[C@H]2CCC[C@H]21 227998328 344554484 /nfs/dbraw/zinc/55/44/84/344554484.db2.gz XFNFJZSQIQYINW-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)(C[NH3+])[N@H+]1CCC[C@H]2CCC[C@H]21 227998328 344554487 /nfs/dbraw/zinc/55/44/87/344554487.db2.gz XFNFJZSQIQYINW-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)(C[NH3+])[N@@H+]1CCC[C@@H]2CCC[C@H]21 227998319 344554797 /nfs/dbraw/zinc/55/47/97/344554797.db2.gz XFNFJZSQIQYINW-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)(C[NH3+])[N@H+]1CCC[C@@H]2CCC[C@H]21 227998319 344554799 /nfs/dbraw/zinc/55/47/99/344554799.db2.gz XFNFJZSQIQYINW-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@@H]2CCC[C@H]21 227997327 344554872 /nfs/dbraw/zinc/55/48/72/344554872.db2.gz PRKZCKZHESOPQP-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCC[C@@H]2CCC[C@H]21 227997327 344554876 /nfs/dbraw/zinc/55/48/76/344554876.db2.gz PRKZCKZHESOPQP-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP Cc1c[nH+]cc(C[C@H]2CC[NH2+]C2)c1 228669470 344566172 /nfs/dbraw/zinc/56/61/72/344566172.db2.gz ZZTWLXXGNRBJFY-SNVBAGLBSA-N 2 2 176.263 1.542 10 0 ADAELP CC[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]2)C1 228740435 344567178 /nfs/dbraw/zinc/56/71/78/344567178.db2.gz YLXFNVHPOJWRSO-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]2)C1 228740435 344567180 /nfs/dbraw/zinc/56/71/80/344567180.db2.gz YLXFNVHPOJWRSO-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+]1CC[NH2+]C[C@@H](C)C1 228749558 344567373 /nfs/dbraw/zinc/56/73/73/344567373.db2.gz FIMBISKPRFHQLD-VWYCJHECSA-N 2 2 182.311 1.184 10 0 ADAELP CC[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]2)C1 228740443 344567354 /nfs/dbraw/zinc/56/73/54/344567354.db2.gz YLXFNVHPOJWRSO-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]2)C1 228740443 344567357 /nfs/dbraw/zinc/56/73/57/344567357.db2.gz YLXFNVHPOJWRSO-NWDGAFQWSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 228749558 344567370 /nfs/dbraw/zinc/56/73/70/344567370.db2.gz FIMBISKPRFHQLD-VWYCJHECSA-N 2 2 182.311 1.184 10 0 ADAELP C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H]([NH3+])C1 228778599 344568304 /nfs/dbraw/zinc/56/83/04/344568304.db2.gz ALAMIYYLTBWQAD-RNFRBKRXSA-N 2 2 196.216 1.360 10 0 ADAELP C[C@H](CC(F)(F)F)[N@H+]1CC[C@@H]([NH3+])C1 228778599 344568307 /nfs/dbraw/zinc/56/83/07/344568307.db2.gz ALAMIYYLTBWQAD-RNFRBKRXSA-N 2 2 196.216 1.360 10 0 ADAELP C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@@H]([NH3+])C1 228778588 344568661 /nfs/dbraw/zinc/56/86/61/344568661.db2.gz ALAMIYYLTBWQAD-NKWVEPMBSA-N 2 2 196.216 1.360 10 0 ADAELP C[C@@H](CC(F)(F)F)[N@H+]1CC[C@@H]([NH3+])C1 228778588 344568663 /nfs/dbraw/zinc/56/86/63/344568663.db2.gz ALAMIYYLTBWQAD-NKWVEPMBSA-N 2 2 196.216 1.360 10 0 ADAELP C[C@H]1C[N@H+](C[C@H](C)C2CC2)CCC[NH2+]1 228821471 344569024 /nfs/dbraw/zinc/56/90/24/344569024.db2.gz POSUFJHRYIUDFN-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H](C)C2CC2)CCC[NH2+]1 228821471 344569026 /nfs/dbraw/zinc/56/90/26/344569026.db2.gz POSUFJHRYIUDFN-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1(C)CC1 228834375 344569864 /nfs/dbraw/zinc/56/98/64/344569864.db2.gz WQJXDVMBWWNTCJ-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1(C)CC1 228834375 344569866 /nfs/dbraw/zinc/56/98/66/344569866.db2.gz WQJXDVMBWWNTCJ-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C1(C)CC1 228834390 344569904 /nfs/dbraw/zinc/56/99/04/344569904.db2.gz WQJXDVMBWWNTCJ-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCCC[C@H]1C[NH2+]C1(C)CC1 228834390 344569906 /nfs/dbraw/zinc/56/99/06/344569906.db2.gz WQJXDVMBWWNTCJ-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC(=[NH2+])N1C[C@H](C)[NH+](C)[C@@H](C)C1 228868922 344572087 /nfs/dbraw/zinc/57/20/87/344572087.db2.gz YAYVMNHXTJXSLD-IUCAKERBSA-N 2 2 183.299 1.398 10 0 ADAELP CCCC(=[NH2+])N1C[C@H](C)[NH+](C)[C@@H](C)C1 228868933 344572477 /nfs/dbraw/zinc/57/24/77/344572477.db2.gz NTZAVTFFJYOQIW-UWVGGRQHSA-N 2 2 197.326 1.788 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C2(C)CCC2)C1 228916836 344574933 /nfs/dbraw/zinc/57/49/33/344574933.db2.gz VPNPSFATKALLDM-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C2(C)CCC2)C1 228916849 344574896 /nfs/dbraw/zinc/57/48/96/344574896.db2.gz VPNPSFATKALLDM-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](C2(C)CCC2)C1 228916849 344574898 /nfs/dbraw/zinc/57/48/98/344574898.db2.gz VPNPSFATKALLDM-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](C2(C)CC2)C1 228927747 344576054 /nfs/dbraw/zinc/57/60/54/344576054.db2.gz CUPSABOANOFJSS-VIFPVBQESA-N 2 2 168.284 1.223 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230742588 344641959 /nfs/dbraw/zinc/64/19/59/344641959.db2.gz WRQNQRXDATZPAC-GHMZBOCLSA-N 2 2 180.295 1.437 10 0 ADAELP C[C@]1([NH2+][C@H]2C=CCCC2)CC[NH2+]C1 230742594 344642095 /nfs/dbraw/zinc/64/20/95/344642095.db2.gz WRQNQRXDATZPAC-QWRGUYRKSA-N 2 2 180.295 1.437 10 0 ADAELP C[C@@]1([NH2+]C/C=C/Cl)CC[NH2+]C1 230743854 344642116 /nfs/dbraw/zinc/64/21/16/344642116.db2.gz RLEXREJTOMDGRU-BYDTYLDUSA-N 2 2 174.675 1.081 10 0 ADAELP C[C@]1([NH2+]C/C=C/Cl)CC[NH2+]C1 230743856 344642153 /nfs/dbraw/zinc/64/21/53/344642153.db2.gz RLEXREJTOMDGRU-KHVHVRLGSA-N 2 2 174.675 1.081 10 0 ADAELP C[C@@]1([NH+]2CCCCCC2)CC[NH2+]C1 230753739 344642564 /nfs/dbraw/zinc/64/25/64/344642564.db2.gz IZDHHHKMHFZGQM-LLVKDONJSA-N 2 2 182.311 1.614 10 0 ADAELP C[C@]1([NH+]2CC3(CCC3)C2)CC[NH2+]C1 230753813 344642575 /nfs/dbraw/zinc/64/25/75/344642575.db2.gz WLDJVUGSTXMCKY-JTQLQIEISA-N 2 2 180.295 1.224 10 0 ADAELP CCC1(CC)C[NH+]([C@@]2(C)CC[NH2+]C2)C1 230753538 344642587 /nfs/dbraw/zinc/64/25/87/344642587.db2.gz KQFMZHRLQRVWRL-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CCC1C[NH+]([C@@]2(C)CC[NH2+]C2)C1 230753578 344642609 /nfs/dbraw/zinc/64/26/09/344642609.db2.gz NZKKUDKFFFDQMN-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[C@]1([NH+]2CC3(CCCC3)C2)CC[NH2+]C1 230753462 344642663 /nfs/dbraw/zinc/64/26/63/344642663.db2.gz JJXOPDZRIOEFAY-NSHDSACASA-N 2 2 194.322 1.614 10 0 ADAELP CC1(C)C[NH+]([C@@]2(C)CC[NH2+]C2)C1 230753440 344642668 /nfs/dbraw/zinc/64/26/68/344642668.db2.gz NDQAMDFVZHBWGU-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@]1([NH+]2CC3(CCCC3)C2)CC[NH2+]C1 230753459 344642672 /nfs/dbraw/zinc/64/26/72/344642672.db2.gz JJXOPDZRIOEFAY-LLVKDONJSA-N 2 2 194.322 1.614 10 0 ADAELP C[C@]1([NH+]2CCCCCC2)CC[NH2+]C1 230753742 344642694 /nfs/dbraw/zinc/64/26/94/344642694.db2.gz IZDHHHKMHFZGQM-NSHDSACASA-N 2 2 182.311 1.614 10 0 ADAELP CC1(C)C[NH+]([C@]2(C)CC[NH2+]C2)C1 230753442 344642704 /nfs/dbraw/zinc/64/27/04/344642704.db2.gz NDQAMDFVZHBWGU-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP 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/nfs/dbraw/zinc/64/39/26/344643926.db2.gz FHYZSRWEAZUJHU-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP CC1=CCC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 230840806 344644230 /nfs/dbraw/zinc/64/42/30/344644230.db2.gz CYDVKTOXUIHIKZ-LBPRGKRZSA-N 2 2 194.322 1.781 10 0 ADAELP CC1=CCC[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 230840806 344644232 /nfs/dbraw/zinc/64/42/32/344644232.db2.gz CYDVKTOXUIHIKZ-LBPRGKRZSA-N 2 2 194.322 1.781 10 0 ADAELP CC1(C)CC[N@H+](CC[NH3+])CCS1 231036403 344647781 /nfs/dbraw/zinc/64/77/81/344647781.db2.gz URGBHVSDEWJXJA-UHFFFAOYSA-N 2 2 188.340 1.163 10 0 ADAELP CC1(C)CC[N@@H+](CC[NH3+])CCS1 231036403 344647782 /nfs/dbraw/zinc/64/77/82/344647782.db2.gz URGBHVSDEWJXJA-UHFFFAOYSA-N 2 2 188.340 1.163 10 0 ADAELP C[C@H]([NH3+])/C=C/c1cn2ccccc2[nH+]1 231750701 344658864 /nfs/dbraw/zinc/65/88/64/344658864.db2.gz JYDDDLSXCORQKN-CYNONHLPSA-N 2 2 187.246 1.695 10 0 ADAELP C[C@@H]([NH3+])/C=C/c1cn2ccccc2[nH+]1 231750698 344658911 /nfs/dbraw/zinc/65/89/11/344658911.db2.gz JYDDDLSXCORQKN-VUHVRTRXSA-N 2 2 187.246 1.695 10 0 ADAELP C/C(=C\c1c[nH+]cn1C)[C@@H](C)[NH3+] 231753772 344659709 /nfs/dbraw/zinc/65/97/09/344659709.db2.gz AVIVXYZWIYLPCO-RXLGXGPVSA-N 2 2 165.240 1.171 10 0 ADAELP C/C(=C\c1c[nH+]cn1C)[C@H](C)[NH3+] 231753775 344659719 /nfs/dbraw/zinc/65/97/19/344659719.db2.gz AVIVXYZWIYLPCO-IPWDFOCMSA-N 2 2 165.240 1.171 10 0 ADAELP CC1CC([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 231787743 344660444 /nfs/dbraw/zinc/66/04/44/344660444.db2.gz FWVFBZNYTJTOPX-ILDUYXDCSA-N 2 2 182.311 1.469 10 0 ADAELP CC1CC([NH2+]C[C@@H]2CCC[N@H+]2C)C1 231787743 344660447 /nfs/dbraw/zinc/66/04/47/344660447.db2.gz FWVFBZNYTJTOPX-ILDUYXDCSA-N 2 2 182.311 1.469 10 0 ADAELP C/C(=C\Cl)C[N@@H+]1CCC[NH2+]CC1 231993620 344669197 /nfs/dbraw/zinc/66/91/97/344669197.db2.gz PZQYJZRPEOICLY-VQHVLOKHSA-N 2 2 188.702 1.424 10 0 ADAELP C/C(=C\Cl)C[N@H+]1CCC[NH2+]CC1 231993620 344669200 /nfs/dbraw/zinc/66/92/00/344669200.db2.gz PZQYJZRPEOICLY-VQHVLOKHSA-N 2 2 188.702 1.424 10 0 ADAELP C/C(=C\Cl)C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 232008961 344669772 /nfs/dbraw/zinc/66/97/72/344669772.db2.gz OGSQVDYIDUPBMO-LFTMGRLWSA-N 2 2 188.702 1.408 10 0 ADAELP C/C(=C\Cl)C[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 232008961 344669773 /nfs/dbraw/zinc/66/97/73/344669773.db2.gz OGSQVDYIDUPBMO-LFTMGRLWSA-N 2 2 188.702 1.408 10 0 ADAELP CC(C)(C1CC1)[N@@H+]1CCC[NH2+]CC1 232516676 344680749 /nfs/dbraw/zinc/68/07/49/344680749.db2.gz FLIZNVHODIRRLY-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)(C1CC1)[N@H+]1CCC[NH2+]CC1 232516676 344680750 /nfs/dbraw/zinc/68/07/50/344680750.db2.gz FLIZNVHODIRRLY-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)(C1CC1)[N@@H+]1CCC[C@H]([NH3+])C1 232516715 344680804 /nfs/dbraw/zinc/68/08/04/344680804.db2.gz HHEUBGYFSYQJGP-JTQLQIEISA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)(C1CC1)[N@H+]1CCC[C@H]([NH3+])C1 232516715 344680805 /nfs/dbraw/zinc/68/08/05/344680805.db2.gz HHEUBGYFSYQJGP-JTQLQIEISA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)(C1CC1)[N@@H+]1CCC[C@@H]([NH3+])C1 232516697 344680881 /nfs/dbraw/zinc/68/08/81/344680881.db2.gz HHEUBGYFSYQJGP-SNVBAGLBSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)(C1CC1)[N@H+]1CCC[C@@H]([NH3+])C1 232516697 344680883 /nfs/dbraw/zinc/68/08/83/344680883.db2.gz HHEUBGYFSYQJGP-SNVBAGLBSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)C(C)(C)C[N@@H+]1CCC[NH2+]CC1 232588944 344684748 /nfs/dbraw/zinc/68/47/48/344684748.db2.gz OFGZMFSXTHYSRA-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CC(C)C(C)(C)C[N@H+]1CCC[NH2+]CC1 232588944 344684751 /nfs/dbraw/zinc/68/47/51/344684751.db2.gz OFGZMFSXTHYSRA-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CC(C)C1CC[NH+]([C@@H](C)C(N)=[NH2+])CC1 232606291 344685647 /nfs/dbraw/zinc/68/56/47/344685647.db2.gz SFCLFDCZBGTXGP-VIFPVBQESA-N 2 2 197.326 1.679 10 0 ADAELP CC(C)[C@@H]([NH3+])[C@@H]1CSCC[N@@H+]1C 232681984 344688032 /nfs/dbraw/zinc/68/80/32/344688032.db2.gz SRMWDXHRWJFBKO-DTWKUNHWSA-N 2 2 188.340 1.017 10 0 ADAELP CC(C)[C@@H]([NH3+])[C@@H]1CSCC[N@H+]1C 232681984 344688033 /nfs/dbraw/zinc/68/80/33/344688033.db2.gz SRMWDXHRWJFBKO-DTWKUNHWSA-N 2 2 188.340 1.017 10 0 ADAELP CC(C)[C@@H]([NH3+])[C@H]1CSCC[N@@H+]1C 232684395 344688125 /nfs/dbraw/zinc/68/81/25/344688125.db2.gz SRMWDXHRWJFBKO-RKDXNWHRSA-N 2 2 188.340 1.017 10 0 ADAELP CC(C)[C@@H]([NH3+])[C@H]1CSCC[N@H+]1C 232684395 344688127 /nfs/dbraw/zinc/68/81/27/344688127.db2.gz SRMWDXHRWJFBKO-RKDXNWHRSA-N 2 2 188.340 1.017 10 0 ADAELP CC(C)[C@H]([NH3+])[C@H]1CSCC[N@H+]1C 232731715 344688967 /nfs/dbraw/zinc/68/89/67/344688967.db2.gz SRMWDXHRWJFBKO-BDAKNGLRSA-N 2 2 188.340 1.017 10 0 ADAELP CC(C)[C@H]([NH3+])[C@@H]1CSCC[N@@H+]1C 232729269 344688537 /nfs/dbraw/zinc/68/85/37/344688537.db2.gz SRMWDXHRWJFBKO-IUCAKERBSA-N 2 2 188.340 1.017 10 0 ADAELP CC(C)[C@H]([NH3+])[C@@H]1CSCC[N@H+]1C 232729269 344688540 /nfs/dbraw/zinc/68/85/40/344688540.db2.gz SRMWDXHRWJFBKO-IUCAKERBSA-N 2 2 188.340 1.017 10 0 ADAELP CC(C)[C@H]([NH3+])[C@H]1CSCC[N@@H+]1C 232731715 344688966 /nfs/dbraw/zinc/68/89/66/344688966.db2.gz SRMWDXHRWJFBKO-BDAKNGLRSA-N 2 2 188.340 1.017 10 0 ADAELP CC1(C)C[C@H]1C[N@@H+]1CCC[NH2+]CC1 232800440 344691377 /nfs/dbraw/zinc/69/13/77/344691377.db2.gz VPTLCANERPYLEY-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP CC1(C)C[C@H]1C[N@H+]1CCC[NH2+]CC1 232800440 344691378 /nfs/dbraw/zinc/69/13/78/344691378.db2.gz VPTLCANERPYLEY-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP CC1(C)C[NH+](CC2([NH3+])CCC2)C1 232814794 344692454 /nfs/dbraw/zinc/69/24/54/344692454.db2.gz JOJOGRQKFHLGPP-UHFFFAOYSA-N 2 2 168.284 1.210 10 0 ADAELP CC1(C[N@@H+]2CCC[NH2+]CC2)CCC1 232823497 344693136 /nfs/dbraw/zinc/69/31/36/344693136.db2.gz FRLIXPFCYAPZJA-UHFFFAOYSA-N 2 2 182.311 1.472 10 0 ADAELP CC1(C[N@H+]2CCC[NH2+]CC2)CCC1 232823497 344693137 /nfs/dbraw/zinc/69/31/37/344693137.db2.gz FRLIXPFCYAPZJA-UHFFFAOYSA-N 2 2 182.311 1.472 10 0 ADAELP CC1(C)C[C@H]1c1[nH]c(C[NH3+])c[nH+]1 232823212 344693229 /nfs/dbraw/zinc/69/32/29/344693229.db2.gz XOROTAORBMDGGW-ZETCQYMHSA-N 2 2 165.240 1.382 10 0 ADAELP CC1(C)C[C@@H]1c1[nH]c(C[NH3+])c[nH+]1 232861713 344695339 /nfs/dbraw/zinc/69/53/39/344695339.db2.gz XOROTAORBMDGGW-SSDOTTSWSA-N 2 2 165.240 1.382 10 0 ADAELP CC1(C)C[C@@H]1C[N@@H+]1CCC[NH2+]CC1 232865266 344695643 /nfs/dbraw/zinc/69/56/43/344695643.db2.gz VPTLCANERPYLEY-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP CC1(C)C[C@@H]1C[N@H+]1CCC[NH2+]CC1 232865266 344695645 /nfs/dbraw/zinc/69/56/45/344695645.db2.gz VPTLCANERPYLEY-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP CCCC(=[NH2+])N1CC[N@H+](C)C[C@@H]1C 232912795 344697100 /nfs/dbraw/zinc/69/71/00/344697100.db2.gz GXTANGHMFAHJJL-VIFPVBQESA-N 2 2 183.299 1.400 10 0 ADAELP CCCC(=[NH2+])N1CC[N@@H+](C)C[C@@H]1C 232912795 344697102 /nfs/dbraw/zinc/69/71/02/344697102.db2.gz GXTANGHMFAHJJL-VIFPVBQESA-N 2 2 183.299 1.400 10 0 ADAELP CC[N@@H+]1CC[NH2+]C[C@H](C(F)(F)F)C1 233514354 344702683 /nfs/dbraw/zinc/70/26/83/344702683.db2.gz YJBHOHGOPLDZJU-ZETCQYMHSA-N 2 2 196.216 1.090 10 0 ADAELP CC[N@H+]1CC[NH2+]C[C@H](C(F)(F)F)C1 233514354 344702684 /nfs/dbraw/zinc/70/26/84/344702684.db2.gz YJBHOHGOPLDZJU-ZETCQYMHSA-N 2 2 196.216 1.090 10 0 ADAELP CC[N@@H+]1CC[NH2+]C[C@@H](C(F)(F)F)C1 233514282 344702719 /nfs/dbraw/zinc/70/27/19/344702719.db2.gz YJBHOHGOPLDZJU-SSDOTTSWSA-N 2 2 196.216 1.090 10 0 ADAELP CC[N@H+]1CC[NH2+]C[C@@H](C(F)(F)F)C1 233514282 344702721 /nfs/dbraw/zinc/70/27/21/344702721.db2.gz YJBHOHGOPLDZJU-SSDOTTSWSA-N 2 2 196.216 1.090 10 0 ADAELP CC[NH2+][C@H](C)[C@H]1CSCC[N@@H+]1C 233616847 344702945 /nfs/dbraw/zinc/70/29/45/344702945.db2.gz CXEAKLVRKLOPMM-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[NH2+][C@H](C)[C@H]1CSCC[N@H+]1C 233616847 344702946 /nfs/dbraw/zinc/70/29/46/344702946.db2.gz CXEAKLVRKLOPMM-RKDXNWHRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[NH2+][C@@H](C)[C@H]1CSCC[N@@H+]1C 233546585 344703148 /nfs/dbraw/zinc/70/31/48/344703148.db2.gz CXEAKLVRKLOPMM-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP CC[NH2+][C@@H](C)[C@@H]1CSCC[N@@H+]1C 233529808 344703093 /nfs/dbraw/zinc/70/30/93/344703093.db2.gz CXEAKLVRKLOPMM-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CC[NH2+][C@@H](C)[C@@H]1CSCC[N@H+]1C 233529808 344703095 /nfs/dbraw/zinc/70/30/95/344703095.db2.gz CXEAKLVRKLOPMM-IUCAKERBSA-N 2 2 188.340 1.032 10 0 ADAELP CC[NH2+][C@H](C)[C@@H]1CSCC[N@@H+]1C 233597822 344703125 /nfs/dbraw/zinc/70/31/25/344703125.db2.gz CXEAKLVRKLOPMM-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[NH2+][C@H](C)[C@@H]1CSCC[N@H+]1C 233597822 344703126 /nfs/dbraw/zinc/70/31/26/344703126.db2.gz CXEAKLVRKLOPMM-BDAKNGLRSA-N 2 2 188.340 1.032 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 233929325 344707656 /nfs/dbraw/zinc/70/76/56/344707656.db2.gz NTAKUOVZGGGYAY-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[C@@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 233929325 344707658 /nfs/dbraw/zinc/70/76/58/344707658.db2.gz NTAKUOVZGGGYAY-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[C@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 233934662 344708301 /nfs/dbraw/zinc/70/83/01/344708301.db2.gz NTAKUOVZGGGYAY-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 233934662 344708303 /nfs/dbraw/zinc/70/83/03/344708303.db2.gz NTAKUOVZGGGYAY-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[C@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 234054766 344711089 /nfs/dbraw/zinc/71/10/89/344711089.db2.gz NTAKUOVZGGGYAY-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[C@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 234054766 344711091 /nfs/dbraw/zinc/71/10/91/344711091.db2.gz NTAKUOVZGGGYAY-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[C@@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 234062590 344711696 /nfs/dbraw/zinc/71/16/96/344711696.db2.gz NTAKUOVZGGGYAY-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[C@@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 234062590 344711699 /nfs/dbraw/zinc/71/16/99/344711699.db2.gz NTAKUOVZGGGYAY-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCn1cc[nH+]c1[C@H]1C[NH2+]CC[C@@H]1C 234182176 344714255 /nfs/dbraw/zinc/71/42/55/344714255.db2.gz PHIIPHUZSBRLON-UWVGGRQHSA-N 2 2 193.294 1.616 10 0 ADAELP CCn1cc[nH+]c1[C@H]1C[NH2+]CC[C@H]1C 234182206 344714379 /nfs/dbraw/zinc/71/43/79/344714379.db2.gz PHIIPHUZSBRLON-ZJUUUORDSA-N 2 2 193.294 1.616 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+]CC[C@H]1C 234218438 344714852 /nfs/dbraw/zinc/71/48/52/344714852.db2.gz PHIIPHUZSBRLON-NXEZZACHSA-N 2 2 193.294 1.616 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+]CC[C@@H]1C 234218408 344715042 /nfs/dbraw/zinc/71/50/42/344715042.db2.gz PHIIPHUZSBRLON-VHSXEESVSA-N 2 2 193.294 1.616 10 0 ADAELP Cc1ccc(F)cc1[C@@H](C[NH3+])[NH+](C)C 234251967 344716118 /nfs/dbraw/zinc/71/61/18/344716118.db2.gz FOGWCNAIGJGGHR-LLVKDONJSA-N 2 2 196.269 1.696 10 0 ADAELP C[N@H+](Cc1ccccc1)C1(C[NH3+])CC1 234292663 344716735 /nfs/dbraw/zinc/71/67/35/344716735.db2.gz WTCYYRSLVGSKEO-UHFFFAOYSA-N 2 2 190.290 1.610 10 0 ADAELP C[N@@H+](Cc1ccccc1)C1(C[NH3+])CC1 234292663 344716737 /nfs/dbraw/zinc/71/67/37/344716737.db2.gz WTCYYRSLVGSKEO-UHFFFAOYSA-N 2 2 190.290 1.610 10 0 ADAELP Cc1ccc(F)cc1[C@H](C[NH3+])[NH+](C)C 234286424 344716991 /nfs/dbraw/zinc/71/69/91/344716991.db2.gz FOGWCNAIGJGGHR-NSHDSACASA-N 2 2 196.269 1.696 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CC2(C)C)C1 234323995 344717228 /nfs/dbraw/zinc/71/72/28/344717228.db2.gz JOTROUQMADZXGC-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CC2(C)C)C1 234323995 344717230 /nfs/dbraw/zinc/71/72/30/344717230.db2.gz JOTROUQMADZXGC-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(C)c(C)cc1C 234425008 344720527 /nfs/dbraw/zinc/72/05/27/344720527.db2.gz GZLQFCBLUJRIHH-LBPRGKRZSA-N 2 2 192.306 1.831 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(C)ccc1F 234447341 344720961 /nfs/dbraw/zinc/72/09/61/344720961.db2.gz BXBVFXAASYEROK-SNVBAGLBSA-N 2 2 182.242 1.353 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1cc(C)c(C)cc1C 234447303 344721042 /nfs/dbraw/zinc/72/10/42/344721042.db2.gz GZLQFCBLUJRIHH-GFCCVEGCSA-N 2 2 192.306 1.831 10 0 ADAELP Cc1[nH+]cccc1N[C@@H](C)C[NH3+] 235117423 344733377 /nfs/dbraw/zinc/73/33/77/344733377.db2.gz ISSNMPDVQGQWBG-ZETCQYMHSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1ccc(N[C@@H](C)C[NH3+])c[nH+]1 235109679 344733440 /nfs/dbraw/zinc/73/34/40/344733440.db2.gz FUZCUXKUEGLNAU-QMMMGPOBSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1ccc(N[C@@H](C)C[NH3+])c(C)[nH+]1 235109734 344733483 /nfs/dbraw/zinc/73/34/83/344733483.db2.gz NAXXYLKILWCAHL-QMMMGPOBSA-N 2 2 179.267 1.458 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H](C)C[NH3+] 235118168 344733771 /nfs/dbraw/zinc/73/37/71/344733771.db2.gz IYPKIYTZMVNZQN-QMMMGPOBSA-N 2 2 165.240 1.149 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1c1[nH+]ccn1C 235257674 344738055 /nfs/dbraw/zinc/73/80/55/344738055.db2.gz HSPBNKPFZNTEKS-BDAKNGLRSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1c1[nH+]ccn1C 235267850 344738974 /nfs/dbraw/zinc/73/89/74/344738974.db2.gz HSPBNKPFZNTEKS-RKDXNWHRSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1C[N@H+]1CC=CCC1 235306110 344742217 /nfs/dbraw/zinc/74/22/17/344742217.db2.gz LAMHXGFRUWVQEZ-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1C[N@@H+]1CC=CCC1 235306110 344742218 /nfs/dbraw/zinc/74/22/18/344742218.db2.gz LAMHXGFRUWVQEZ-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1[NH3+] 235324379 344743086 /nfs/dbraw/zinc/74/30/86/344743086.db2.gz BLDBNBLKEYFHTQ-SCZZXKLOSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1[NH3+] 235324379 344743087 /nfs/dbraw/zinc/74/30/87/344743087.db2.gz BLDBNBLKEYFHTQ-SCZZXKLOSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1[NH3+] 235322638 344743130 /nfs/dbraw/zinc/74/31/30/344743130.db2.gz XQEUQZZXGFBNMT-SCZZXKLOSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1[NH3+] 235322638 344743132 /nfs/dbraw/zinc/74/31/32/344743132.db2.gz XQEUQZZXGFBNMT-SCZZXKLOSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@@H]1CC[C@H](c2[nH+]ccn2C)C[NH2+]1 235323633 344743135 /nfs/dbraw/zinc/74/31/35/344743135.db2.gz GXWBTPIIGDRNRN-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1[NH3+] 235322499 344743221 /nfs/dbraw/zinc/74/32/21/344743221.db2.gz ZSLWFJWAEKIDSA-SCZZXKLOSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1[NH3+] 235322499 344743222 /nfs/dbraw/zinc/74/32/22/344743222.db2.gz ZSLWFJWAEKIDSA-SCZZXKLOSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@@H]1CCC[NH2+][C@@H]1C[N@H+]1CC=CCC1 235319708 344743259 /nfs/dbraw/zinc/74/32/59/344743259.db2.gz LAMHXGFRUWVQEZ-VXGBXAGGSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1CCC[NH2+][C@@H]1C[N@@H+]1CC=CCC1 235319708 344743260 /nfs/dbraw/zinc/74/32/60/344743260.db2.gz LAMHXGFRUWVQEZ-VXGBXAGGSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@H+](Cc2ccoc2)C[C@@H]1[NH3+] 235324108 344743320 /nfs/dbraw/zinc/74/33/20/344743320.db2.gz UGJLUFCWIMJBDT-SCZZXKLOSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@@H]1[NH3+] 235324108 344743321 /nfs/dbraw/zinc/74/33/21/344743321.db2.gz UGJLUFCWIMJBDT-SCZZXKLOSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@@H]1CC[C@@H](c2[nH+]ccn2C)C[NH2+]1 235320294 344743451 /nfs/dbraw/zinc/74/34/51/344743451.db2.gz GXWBTPIIGDRNRN-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP C[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]2)C1 235332252 344743862 /nfs/dbraw/zinc/74/38/62/344743862.db2.gz VSPOKNIGGQKBFI-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[NH2+][C@@H]1Cc1[nH+]ccn1C 235327603 344743880 /nfs/dbraw/zinc/74/38/80/344743880.db2.gz JHXYTTAQWXEVOL-NXEZZACHSA-N 2 2 193.294 1.351 10 0 ADAELP C[C@@H]1C[N@@H+](C(C)(C)C2CC2)CCC[NH2+]1 235329420 344743921 /nfs/dbraw/zinc/74/39/21/344743921.db2.gz NKOANKKVSXUGGL-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@H+](C(C)(C)C2CC2)CCC[NH2+]1 235329420 344743924 /nfs/dbraw/zinc/74/39/24/344743924.db2.gz NKOANKKVSXUGGL-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H](c2[nH+]ccn2C)C1 235337642 344744384 /nfs/dbraw/zinc/74/43/84/344744384.db2.gz CNBGJIFNFOFAOP-IUCAKERBSA-N 2 2 179.267 1.133 10 0 ADAELP Cc1ccoc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235334962 344744495 /nfs/dbraw/zinc/74/44/95/344744495.db2.gz JNYKENTWUSBLAS-ZJUUUORDSA-N 2 2 194.278 1.367 10 0 ADAELP Cc1ccoc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235334962 344744499 /nfs/dbraw/zinc/74/44/99/344744499.db2.gz JNYKENTWUSBLAS-ZJUUUORDSA-N 2 2 194.278 1.367 10 0 ADAELP C[C@@H]1C[N@H+](CC2(C)CC2)CCC[NH2+]1 235352101 344745114 /nfs/dbraw/zinc/74/51/14/344745114.db2.gz DJKYMOYEUPFQPR-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)=CC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235357954 344745461 /nfs/dbraw/zinc/74/54/61/344745461.db2.gz HAPIBCJORVEHDK-ZJUUUORDSA-N 2 2 168.284 1.232 10 0 ADAELP CC(C)=CC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235357954 344745462 /nfs/dbraw/zinc/74/54/62/344745462.db2.gz HAPIBCJORVEHDK-ZJUUUORDSA-N 2 2 168.284 1.232 10 0 ADAELP C[C@@H]1CC[N@H+](CC2(C)CCC2)CC[NH2+]1 235363323 344746508 /nfs/dbraw/zinc/74/65/08/344746508.db2.gz BHOBVWIEDXIPPY-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CC[N@@H+](CC2(C)CCC2)CC[NH2+]1 235363323 344746510 /nfs/dbraw/zinc/74/65/10/344746510.db2.gz BHOBVWIEDXIPPY-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[N@H+](C/C=C/Cl)CCC[NH2+]1 235376569 344746924 /nfs/dbraw/zinc/74/69/24/344746924.db2.gz GNWKOQKMICJTFO-HDMKULJXSA-N 2 2 188.702 1.423 10 0 ADAELP C[C@@H]1C[N@@H+](C/C=C/Cl)CCC[NH2+]1 235376569 344746926 /nfs/dbraw/zinc/74/69/26/344746926.db2.gz GNWKOQKMICJTFO-HDMKULJXSA-N 2 2 188.702 1.423 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](CC2(C)CC2)C1 235402683 344748519 /nfs/dbraw/zinc/74/85/19/344748519.db2.gz RLXYBLJQHUWSHD-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](CC2(C)CC2)C1 235402683 344748521 /nfs/dbraw/zinc/74/85/21/344748521.db2.gz RLXYBLJQHUWSHD-SNVBAGLBSA-N 2 2 182.311 1.328 10 0 ADAELP Cc1ccc(N[C@H](C)C[NH3+])c(C)[nH+]1 235466928 344751165 /nfs/dbraw/zinc/75/11/65/344751165.db2.gz NAXXYLKILWCAHL-MRVPVSSYSA-N 2 2 179.267 1.458 10 0 ADAELP Cc1ccc(N[C@H](C)C[NH3+])c[nH+]1 235466910 344751175 /nfs/dbraw/zinc/75/11/75/344751175.db2.gz FUZCUXKUEGLNAU-MRVPVSSYSA-N 2 2 165.240 1.149 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1C[N@H+]1CC=CCC1 235546324 344753997 /nfs/dbraw/zinc/75/39/97/344753997.db2.gz LAMHXGFRUWVQEZ-NWDGAFQWSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1C[N@@H+]1CC=CCC1 235546324 344753999 /nfs/dbraw/zinc/75/39/99/344753999.db2.gz LAMHXGFRUWVQEZ-NWDGAFQWSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1Cc1[nH+]ccn1C 235551380 344754594 /nfs/dbraw/zinc/75/45/94/344754594.db2.gz JHXYTTAQWXEVOL-VHSXEESVSA-N 2 2 193.294 1.351 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@@H+]1C/C=C/Cl 235567823 344756037 /nfs/dbraw/zinc/75/60/37/344756037.db2.gz IFGZOUFDOGPOQD-LXOKAJLYSA-N 2 2 188.702 1.423 10 0 ADAELP C[C@H]1CC[NH2+]CC[N@H+]1C/C=C/Cl 235567823 344756038 /nfs/dbraw/zinc/75/60/38/344756038.db2.gz IFGZOUFDOGPOQD-LXOKAJLYSA-N 2 2 188.702 1.423 10 0 ADAELP CC(C)=CC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 235580062 344756861 /nfs/dbraw/zinc/75/68/61/344756861.db2.gz HAPIBCJORVEHDK-UWVGGRQHSA-N 2 2 168.284 1.232 10 0 ADAELP CC(C)=CC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 235580062 344756862 /nfs/dbraw/zinc/75/68/62/344756862.db2.gz HAPIBCJORVEHDK-UWVGGRQHSA-N 2 2 168.284 1.232 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1c1[nH+]ccn1C 235577251 344757110 /nfs/dbraw/zinc/75/71/10/344757110.db2.gz HSPBNKPFZNTEKS-IUCAKERBSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1C[N@H+]1CC=CCC1 235590863 344757838 /nfs/dbraw/zinc/75/78/38/344757838.db2.gz LAMHXGFRUWVQEZ-RYUDHWBXSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1C[N@@H+]1CC=CCC1 235590863 344757841 /nfs/dbraw/zinc/75/78/41/344757841.db2.gz LAMHXGFRUWVQEZ-RYUDHWBXSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1Cc1[nH+]ccn1C 235596983 344758353 /nfs/dbraw/zinc/75/83/53/344758353.db2.gz JHXYTTAQWXEVOL-UWVGGRQHSA-N 2 2 193.294 1.351 10 0 ADAELP C[C@H]1C[N@H+](C/C=C/Cl)CCC[NH2+]1 235609379 344759343 /nfs/dbraw/zinc/75/93/43/344759343.db2.gz GNWKOQKMICJTFO-LXOKAJLYSA-N 2 2 188.702 1.423 10 0 ADAELP C[C@H]1C[N@@H+](C/C=C/Cl)CCC[NH2+]1 235609379 344759344 /nfs/dbraw/zinc/75/93/44/344759344.db2.gz GNWKOQKMICJTFO-LXOKAJLYSA-N 2 2 188.702 1.423 10 0 ADAELP C[C@H]1CC[C@@H](c2[nH+]ccn2C)C[NH2+]1 235622568 344760024 /nfs/dbraw/zinc/76/00/24/344760024.db2.gz GXWBTPIIGDRNRN-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP C[C@H]1CC[N@H+](CC2(C)CCC2)CC[NH2+]1 235633908 344760506 /nfs/dbraw/zinc/76/05/06/344760506.db2.gz BHOBVWIEDXIPPY-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CC[N@@H+](CC2(C)CCC2)CC[NH2+]1 235633908 344760508 /nfs/dbraw/zinc/76/05/08/344760508.db2.gz BHOBVWIEDXIPPY-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1C[N@@H+](C(C)(C)C2CC2)CCC[NH2+]1 235636802 344760660 /nfs/dbraw/zinc/76/06/60/344760660.db2.gz NKOANKKVSXUGGL-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@H+](C(C)(C)C2CC2)CCC[NH2+]1 235636802 344760663 /nfs/dbraw/zinc/76/06/63/344760663.db2.gz NKOANKKVSXUGGL-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH2+]2)C1 235638678 344761046 /nfs/dbraw/zinc/76/10/46/344761046.db2.gz VSPOKNIGGQKBFI-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH2+]2)C1 235638678 344761047 /nfs/dbraw/zinc/76/10/47/344761047.db2.gz VSPOKNIGGQKBFI-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]2)C1 235654577 344761826 /nfs/dbraw/zinc/76/18/26/344761826.db2.gz VSPOKNIGGQKBFI-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]2)C1 235654577 344761827 /nfs/dbraw/zinc/76/18/27/344761827.db2.gz VSPOKNIGGQKBFI-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@H+](CC2(C)CC2)CCC[NH2+]1 235663965 344762216 /nfs/dbraw/zinc/76/22/16/344762216.db2.gz DJKYMOYEUPFQPR-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[N@@H+](CC2(C)CC2)CCC[NH2+]1 235663965 344762218 /nfs/dbraw/zinc/76/22/18/344762218.db2.gz DJKYMOYEUPFQPR-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1[NH3+] 235674258 344762797 /nfs/dbraw/zinc/76/27/97/344762797.db2.gz ZSLWFJWAEKIDSA-WPRPVWTQSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1[NH3+] 235674258 344762799 /nfs/dbraw/zinc/76/27/99/344762799.db2.gz ZSLWFJWAEKIDSA-WPRPVWTQSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1[NH3+] 235674397 344762882 /nfs/dbraw/zinc/76/28/82/344762882.db2.gz XQEUQZZXGFBNMT-WPRPVWTQSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1[NH3+] 235674397 344762884 /nfs/dbraw/zinc/76/28/84/344762884.db2.gz XQEUQZZXGFBNMT-WPRPVWTQSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@H]1C[N@H+](Cc2ccoc2)C[C@@H]1[NH3+] 235676492 344762896 /nfs/dbraw/zinc/76/28/96/344762896.db2.gz UGJLUFCWIMJBDT-WPRPVWTQSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@H]1C[N@@H+](Cc2ccoc2)C[C@@H]1[NH3+] 235676492 344762897 /nfs/dbraw/zinc/76/28/97/344762897.db2.gz UGJLUFCWIMJBDT-WPRPVWTQSA-N 2 2 180.251 1.059 10 0 ADAELP Cc1ccoc1C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 235687589 344763235 /nfs/dbraw/zinc/76/32/35/344763235.db2.gz JNYKENTWUSBLAS-UWVGGRQHSA-N 2 2 194.278 1.367 10 0 ADAELP Cc1ccoc1C[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 235687589 344763237 /nfs/dbraw/zinc/76/32/37/344763237.db2.gz JNYKENTWUSBLAS-UWVGGRQHSA-N 2 2 194.278 1.367 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](CC2(C)CC2)C1 235699220 344763667 /nfs/dbraw/zinc/76/36/67/344763667.db2.gz RLXYBLJQHUWSHD-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](CC2(C)CC2)C1 235699220 344763669 /nfs/dbraw/zinc/76/36/69/344763669.db2.gz RLXYBLJQHUWSHD-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H](c2[nH+]ccn2C)C1 235710812 344763989 /nfs/dbraw/zinc/76/39/89/344763989.db2.gz CNBGJIFNFOFAOP-BDAKNGLRSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@H]1C[NH2+]C[C@H](c2[nH+]ccn2C)C1 235719855 344764395 /nfs/dbraw/zinc/76/43/95/344764395.db2.gz CNBGJIFNFOFAOP-RKDXNWHRSA-N 2 2 179.267 1.133 10 0 ADAELP Cc1cc[nH+]cc1-n1cc[nH+]c1N 235785278 344766274 /nfs/dbraw/zinc/76/62/74/344766274.db2.gz NHEHPQFMRMPPFR-UHFFFAOYSA-N 2 2 174.207 1.158 10 0 ADAELP Cc1[nH+]cccc1NC[C@@H]1CCC[NH2+]1 235803756 344766947 /nfs/dbraw/zinc/76/69/47/344766947.db2.gz QIDRPRZVVKNSEE-JTQLQIEISA-N 2 2 191.278 1.554 10 0 ADAELP Cc1[nH+]cccc1NC[C@H]1CCC[NH2+]1 235803841 344767035 /nfs/dbraw/zinc/76/70/35/344767035.db2.gz QIDRPRZVVKNSEE-SNVBAGLBSA-N 2 2 191.278 1.554 10 0 ADAELP Cc1cc[nH+]c(NCC2([NH3+])CCC2)c1 235931242 344769918 /nfs/dbraw/zinc/76/99/18/344769918.db2.gz MIFBDOLMAYTIEK-UHFFFAOYSA-N 2 2 191.278 1.683 10 0 ADAELP Cn1cc[nH+]c1CC=C1CC([NH3+])C1 236070139 344772190 /nfs/dbraw/zinc/77/21/90/344772190.db2.gz BMITUWUVPREJST-UHFFFAOYSA-N 2 2 177.251 1.010 10 0 ADAELP [NH3+]C1(C[NH+]2CC3(CCC3)C2)CCC1 236204639 344777579 /nfs/dbraw/zinc/77/75/79/344777579.db2.gz QSVWMCVXVOOAND-UHFFFAOYSA-N 2 2 180.295 1.354 10 0 ADAELP C1CCC([NH+]2CC3(C[NH2+]C3)C2)CC1 238059116 344792124 /nfs/dbraw/zinc/79/21/24/344792124.db2.gz QZJQRDXAJUCTGM-UHFFFAOYSA-N 2 2 180.295 1.224 10 0 ADAELP CC(C)(C[NH3+])[NH+]1CCC(F)(F)CC1 238105147 344793057 /nfs/dbraw/zinc/79/30/57/344793057.db2.gz WZGGUGAHTCHJSG-UHFFFAOYSA-N 2 2 192.253 1.455 10 0 in-vitro ADAELP C[NH+](C)[C@@H]1CCCCC[NH2+]C1 238288085 344798967 /nfs/dbraw/zinc/79/89/67/344798967.db2.gz SZVWJRGQHJOCAY-SECBINFHSA-N 2 2 156.273 1.080 10 0 ADAELP C[NH+](C)[C@H]1CCCCC[NH2+]C1 238297896 344799398 /nfs/dbraw/zinc/79/93/98/344799398.db2.gz SZVWJRGQHJOCAY-VIFPVBQESA-N 2 2 156.273 1.080 10 0 ADAELP Cc1occc1C[N@@H+]1CCC[C@H]([NH3+])C1 238463405 344807792 /nfs/dbraw/zinc/80/77/92/344807792.db2.gz QUCNEYYANSCOCK-NSHDSACASA-N 2 2 194.278 1.511 10 0 ADAELP Cc1occc1C[N@H+]1CCC[C@H]([NH3+])C1 238463405 344807795 /nfs/dbraw/zinc/80/77/95/344807795.db2.gz QUCNEYYANSCOCK-NSHDSACASA-N 2 2 194.278 1.511 10 0 ADAELP Cc1occc1C[N@@H+]1CCC[C@@H]([NH3+])C1 238463349 344807901 /nfs/dbraw/zinc/80/79/01/344807901.db2.gz QUCNEYYANSCOCK-LLVKDONJSA-N 2 2 194.278 1.511 10 0 ADAELP Cc1occc1C[N@H+]1CCC[C@@H]([NH3+])C1 238463349 344807902 /nfs/dbraw/zinc/80/79/02/344807902.db2.gz QUCNEYYANSCOCK-LLVKDONJSA-N 2 2 194.278 1.511 10 0 ADAELP Cc1ccc(C[C@H]2CCC[NH2+]C2)c[nH+]1 238493149 344809356 /nfs/dbraw/zinc/80/93/56/344809356.db2.gz GSFMVKUCKVVQJF-LLVKDONJSA-N 2 2 190.290 1.932 10 0 ADAELP Cc1csc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 238499131 344809687 /nfs/dbraw/zinc/80/96/87/344809687.db2.gz VDGYMKRXXIALMX-VIFPVBQESA-N 2 2 196.319 1.590 10 0 ADAELP Cc1csc(C[N@H+]2CC[C@H]([NH3+])C2)c1 238499131 344809688 /nfs/dbraw/zinc/80/96/88/344809688.db2.gz VDGYMKRXXIALMX-VIFPVBQESA-N 2 2 196.319 1.590 10 0 ADAELP Cn1c[nH+]cc1-c1ccc(C[NH3+])s1 238532258 344811100 /nfs/dbraw/zinc/81/11/00/344811100.db2.gz DNHCFHAQMLMTED-UHFFFAOYSA-N 2 2 193.275 1.607 10 0 ADAELP Cn1c[nH+]cc1-c1csc(C[NH3+])c1 238532645 344811276 /nfs/dbraw/zinc/81/12/76/344811276.db2.gz JCVLMPQIFXVLKM-UHFFFAOYSA-N 2 2 193.275 1.607 10 0 ADAELP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 238561011 344812781 /nfs/dbraw/zinc/81/27/81/344812781.db2.gz LIZRJGVULCFFAI-VXGBXAGGSA-N 2 2 194.322 1.766 10 0 ADAELP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 238561011 344812782 /nfs/dbraw/zinc/81/27/82/344812782.db2.gz LIZRJGVULCFFAI-VXGBXAGGSA-N 2 2 194.322 1.766 10 0 ADAELP [NH3+]C[C@H]1CCCN1c1cc[nH+]cc1F 238555296 344812984 /nfs/dbraw/zinc/81/29/84/344812984.db2.gz OBDOLSPFNMFIQE-MRVPVSSYSA-N 2 2 195.241 1.148 10 0 ADAELP [NH3+]C[C@@H]1CCCN1c1cc[nH+]cc1F 238560004 344813094 /nfs/dbraw/zinc/81/30/94/344813094.db2.gz OBDOLSPFNMFIQE-QMMMGPOBSA-N 2 2 195.241 1.148 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](F)C1 238570236 344813285 /nfs/dbraw/zinc/81/32/85/344813285.db2.gz GAKDRGXSUFXBJL-BBBLOLIVSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](F)C1 238570236 344813287 /nfs/dbraw/zinc/81/32/87/344813287.db2.gz GAKDRGXSUFXBJL-BBBLOLIVSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](F)C1 238575943 344813946 /nfs/dbraw/zinc/81/39/46/344813946.db2.gz GAKDRGXSUFXBJL-OPRDCNLKSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](F)C1 238575943 344813948 /nfs/dbraw/zinc/81/39/48/344813948.db2.gz GAKDRGXSUFXBJL-OPRDCNLKSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+]CC[NH+]1C2CCCC1CCC2 238581696 344814312 /nfs/dbraw/zinc/81/43/12/344814312.db2.gz NLPAPPOMBICLTC-UHFFFAOYSA-N 2 2 168.284 1.352 10 0 ADAELP Fc1c[nH+]ccc1N[C@@H]1CCC[NH2+]C1 238587141 344814581 /nfs/dbraw/zinc/81/45/81/344814581.db2.gz YNJVAMSBJAWLQG-MRVPVSSYSA-N 2 2 195.241 1.385 10 0 ADAELP Fc1c[nH+]ccc1N[C@H]1CCC[NH2+]C1 238587209 344814758 /nfs/dbraw/zinc/81/47/58/344814758.db2.gz YNJVAMSBJAWLQG-QMMMGPOBSA-N 2 2 195.241 1.385 10 0 ADAELP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 238677396 344818574 /nfs/dbraw/zinc/81/85/74/344818574.db2.gz LIZRJGVULCFFAI-NEPJUHHUSA-N 2 2 194.322 1.766 10 0 ADAELP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 238677396 344818575 /nfs/dbraw/zinc/81/85/75/344818575.db2.gz LIZRJGVULCFFAI-NEPJUHHUSA-N 2 2 194.322 1.766 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC 247976165 344827013 /nfs/dbraw/zinc/82/70/13/344827013.db2.gz FVSBHTLZBDJNHA-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CC 247976165 344827015 /nfs/dbraw/zinc/82/70/15/344827015.db2.gz FVSBHTLZBDJNHA-WDEREUQCSA-N 2 2 184.327 1.988 10 0 ADAELP C[C@@H](c1ccco1)[N@@H+]1CCC[C@H]1C[NH3+] 248088372 344827316 /nfs/dbraw/zinc/82/73/16/344827316.db2.gz ULBXFDWVQCMLHL-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccco1)[N@H+]1CCC[C@H]1C[NH3+] 248088372 344827318 /nfs/dbraw/zinc/82/73/18/344827318.db2.gz ULBXFDWVQCMLHL-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@H+]1CCC[C@H]1C[NH3+] 248083428 344827559 /nfs/dbraw/zinc/82/75/59/344827559.db2.gz QWXRUWKDJAGSJE-UWVGGRQHSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@H]1C[NH3+] 248083429 344827572 /nfs/dbraw/zinc/82/75/72/344827572.db2.gz QWXRUWKDJAGSJE-ZJUUUORDSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@H](c1ccc[nH]1)[N@H+]1CCC[C@H]1C[NH3+] 248083429 344827575 /nfs/dbraw/zinc/82/75/75/344827575.db2.gz QWXRUWKDJAGSJE-ZJUUUORDSA-N 2 2 193.294 1.499 10 0 ADAELP CCC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccco1 249885725 344827760 /nfs/dbraw/zinc/82/77/60/344827760.db2.gz GMGWKFAOPQGENM-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP CCC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccco1 249885725 344827763 /nfs/dbraw/zinc/82/77/63/344827763.db2.gz GMGWKFAOPQGENM-ONGXEEELSA-N 2 2 194.278 1.764 10 0 ADAELP CC[N@H+](C1CCCC1)[C@@H]1C[NH2+]C[C@H]1C 249883278 344827795 /nfs/dbraw/zinc/82/77/95/344827795.db2.gz BGNONWKMDCQZMR-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@@H]1C[NH2+]C[C@H]1C 249883278 344827796 /nfs/dbraw/zinc/82/77/96/344827796.db2.gz BGNONWKMDCQZMR-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 249735027 344827813 /nfs/dbraw/zinc/82/78/13/344827813.db2.gz AWWXWNCFPXHZLA-RKDXNWHRSA-N 2 2 156.273 1.208 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 249735027 344827815 /nfs/dbraw/zinc/82/78/15/344827815.db2.gz AWWXWNCFPXHZLA-RKDXNWHRSA-N 2 2 156.273 1.208 10 0 ADAELP CC[N@H+](C1CCCC1)[C@H]1C[NH2+]C[C@H]1C 249883274 344827851 /nfs/dbraw/zinc/82/78/51/344827851.db2.gz BGNONWKMDCQZMR-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+](C1CCCC1)[C@H]1C[NH2+]C[C@H]1C 249883274 344827854 /nfs/dbraw/zinc/82/78/54/344827854.db2.gz BGNONWKMDCQZMR-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 249735025 344827870 /nfs/dbraw/zinc/82/78/70/344827870.db2.gz AWWXWNCFPXHZLA-BDAKNGLRSA-N 2 2 156.273 1.208 10 0 ADAELP CCC[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 249735025 344827872 /nfs/dbraw/zinc/82/78/72/344827872.db2.gz AWWXWNCFPXHZLA-BDAKNGLRSA-N 2 2 156.273 1.208 10 0 ADAELP CCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccco1 249885717 344827914 /nfs/dbraw/zinc/82/79/14/344827914.db2.gz GMGWKFAOPQGENM-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP CCC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccco1 249885717 344827915 /nfs/dbraw/zinc/82/79/15/344827915.db2.gz GMGWKFAOPQGENM-KOLCDFICSA-N 2 2 194.278 1.764 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1CCC[C@H]1[NH3+] 249905860 344828329 /nfs/dbraw/zinc/82/83/29/344828329.db2.gz HKZQTGDKPWPZSB-NXEZZACHSA-N 2 2 170.300 1.597 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1CCC[C@H]1[NH3+] 249905860 344828332 /nfs/dbraw/zinc/82/83/32/344828332.db2.gz HKZQTGDKPWPZSB-NXEZZACHSA-N 2 2 170.300 1.597 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1CCC[C@H]1[NH3+] 249905865 344828341 /nfs/dbraw/zinc/82/83/41/344828341.db2.gz HKZQTGDKPWPZSB-ZJUUUORDSA-N 2 2 170.300 1.597 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1CCC[C@H]1[NH3+] 249905865 344828343 /nfs/dbraw/zinc/82/83/43/344828343.db2.gz HKZQTGDKPWPZSB-ZJUUUORDSA-N 2 2 170.300 1.597 10 0 ADAELP CCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@H]1C 249976468 344828400 /nfs/dbraw/zinc/82/84/00/344828400.db2.gz LMPCKCYSLZMYBA-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@H]1C 249976468 344828402 /nfs/dbraw/zinc/82/84/02/344828402.db2.gz LMPCKCYSLZMYBA-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C(C)C)[C@@H]1C[NH2+]CC[C@H]1C 249987538 344828665 /nfs/dbraw/zinc/82/86/65/344828665.db2.gz MLBZLODFCJVFMA-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C(C)C)[C@@H]1C[NH2+]CC[C@H]1C 249987538 344828666 /nfs/dbraw/zinc/82/86/66/344828666.db2.gz MLBZLODFCJVFMA-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+](C)[C@@H]1[C@H](C)C[C@H](C)C[C@H]1[NH3+] 249915774 344828682 /nfs/dbraw/zinc/82/86/82/344828682.db2.gz JZSMPFMKVYQYFF-LNFKQOIKSA-N 2 2 184.327 1.700 10 0 ADAELP CC[N@@H+](C)[C@@H]1[C@H](C)C[C@H](C)C[C@H]1[NH3+] 249915774 344828685 /nfs/dbraw/zinc/82/86/85/344828685.db2.gz JZSMPFMKVYQYFF-LNFKQOIKSA-N 2 2 184.327 1.700 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1C[NH2+]CC[C@H]1C 249987541 344828730 /nfs/dbraw/zinc/82/87/30/344828730.db2.gz MLBZLODFCJVFMA-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1C[NH2+]CC[C@H]1C 249987541 344828732 /nfs/dbraw/zinc/82/87/32/344828732.db2.gz MLBZLODFCJVFMA-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CCCC[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C 249907192 344828783 /nfs/dbraw/zinc/82/87/83/344828783.db2.gz YVXUXOCVISJLGB-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 249976466 344828821 /nfs/dbraw/zinc/82/88/21/344828821.db2.gz LMPCKCYSLZMYBA-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+](C(C)C)[C@H]1CCCC[C@H]1[NH3+] 249914270 344828830 /nfs/dbraw/zinc/82/88/30/344828830.db2.gz JKYRLRJKMJMDAA-MNOVXSKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@@H+](C(C)C)[C@H]1CCCC[C@H]1[NH3+] 249914270 344828831 /nfs/dbraw/zinc/82/88/31/344828831.db2.gz JKYRLRJKMJMDAA-MNOVXSKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](C)[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1[NH3+] 249915772 344828925 /nfs/dbraw/zinc/82/89/25/344828925.db2.gz JZSMPFMKVYQYFF-GWOFURMSSA-N 2 2 184.327 1.700 10 0 ADAELP CC[N@@H+](C)[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1[NH3+] 249915772 344828926 /nfs/dbraw/zinc/82/89/26/344828926.db2.gz JZSMPFMKVYQYFF-GWOFURMSSA-N 2 2 184.327 1.700 10 0 ADAELP CCCC[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 249907190 344828932 /nfs/dbraw/zinc/82/89/32/344828932.db2.gz YVXUXOCVISJLGB-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 249907190 344828934 /nfs/dbraw/zinc/82/89/34/344828934.db2.gz YVXUXOCVISJLGB-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 250024917 344829182 /nfs/dbraw/zinc/82/91/82/344829182.db2.gz OQOCRXAMNMCQMX-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 250024917 344829184 /nfs/dbraw/zinc/82/91/84/344829184.db2.gz OQOCRXAMNMCQMX-NXEZZACHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 250053436 344829204 /nfs/dbraw/zinc/82/92/04/344829204.db2.gz WNFAGBKHNATBQP-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@@H+]1CCC[NH+]2CCCC[C@H]2C1 250042385 344829226 /nfs/dbraw/zinc/82/92/26/344829226.db2.gz UTGUQCZEFBEUDG-LBPRGKRZSA-N 2 2 196.338 1.957 10 0 ADAELP CCC[NH+]1CCC[N@@H+]2CCCC[C@H]2C1 250042385 344829230 /nfs/dbraw/zinc/82/92/30/344829230.db2.gz UTGUQCZEFBEUDG-LBPRGKRZSA-N 2 2 196.338 1.957 10 0 ADAELP CCC[NH+]1CCC[N@H+]2CCCC[C@H]2C1 250042385 344829232 /nfs/dbraw/zinc/82/92/32/344829232.db2.gz UTGUQCZEFBEUDG-LBPRGKRZSA-N 2 2 196.338 1.957 10 0 ADAELP CCC[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C 250053437 344829261 /nfs/dbraw/zinc/82/92/61/344829261.db2.gz WNFAGBKHNATBQP-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 250053437 344829262 /nfs/dbraw/zinc/82/92/62/344829262.db2.gz WNFAGBKHNATBQP-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 250027214 344829499 /nfs/dbraw/zinc/82/94/99/344829499.db2.gz RTSOUNPWMWHHGO-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 250027214 344829500 /nfs/dbraw/zinc/82/95/00/344829500.db2.gz RTSOUNPWMWHHGO-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@@H+]1CCC[C@H]1[C@H]1CCC[NH2+]1 250027219 344829553 /nfs/dbraw/zinc/82/95/53/344829553.db2.gz RTSOUNPWMWHHGO-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]1 250027219 344829556 /nfs/dbraw/zinc/82/95/56/344829556.db2.gz RTSOUNPWMWHHGO-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] 250024920 344829660 /nfs/dbraw/zinc/82/96/60/344829660.db2.gz OQOCRXAMNMCQMX-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] 250024920 344829662 /nfs/dbraw/zinc/82/96/62/344829662.db2.gz OQOCRXAMNMCQMX-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP CC[N@@H+]([C@H]1CCC[C@@H]1C)[C@@H]1CC[NH2+]C1 250097795 344829909 /nfs/dbraw/zinc/82/99/09/344829909.db2.gz YGHGYYRWJPCZIR-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]([C@H]1CCC[C@@H]1C)[C@@H]1CC[NH2+]C1 250097795 344829911 /nfs/dbraw/zinc/82/99/11/344829911.db2.gz YGHGYYRWJPCZIR-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H]1C 250097791 344830086 /nfs/dbraw/zinc/83/00/86/344830086.db2.gz YGHGYYRWJPCZIR-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H]1C 250097791 344830087 /nfs/dbraw/zinc/83/00/87/344830087.db2.gz YGHGYYRWJPCZIR-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP COC[N@@H+]1CCC[C@H]1[C@H]1CCC[NH2+]C1 250158676 344830486 /nfs/dbraw/zinc/83/04/86/344830486.db2.gz AKLGQOYVHHUZBQ-QWRGUYRKSA-N 2 2 198.310 1.054 10 0 ADAELP COC[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]C1 250158676 344830487 /nfs/dbraw/zinc/83/04/87/344830487.db2.gz AKLGQOYVHHUZBQ-QWRGUYRKSA-N 2 2 198.310 1.054 10 0 ADAELP C[N@H+](Cc1ccco1)[C@H]1CCC[C@H]1[NH3+] 250151583 344830565 /nfs/dbraw/zinc/83/05/65/344830565.db2.gz CDSNEUXOGKJYNJ-MNOVXSKESA-N 2 2 194.278 1.591 10 0 ADAELP C[N@@H+](Cc1ccco1)[C@H]1CCC[C@H]1[NH3+] 250151583 344830566 /nfs/dbraw/zinc/83/05/66/344830566.db2.gz CDSNEUXOGKJYNJ-MNOVXSKESA-N 2 2 194.278 1.591 10 0 ADAELP CCC[N@H+](C)[C@H]1CCCCC[C@H]1[NH3+] 250116797 344830571 /nfs/dbraw/zinc/83/05/71/344830571.db2.gz SUHXPZJNPVSUTF-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@@H+](C)[C@H]1CCCCC[C@H]1[NH3+] 250116797 344830572 /nfs/dbraw/zinc/83/05/72/344830572.db2.gz SUHXPZJNPVSUTF-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@H+](C)[C@@H]1CCCCC[C@H]1[NH3+] 250116793 344830650 /nfs/dbraw/zinc/83/06/50/344830650.db2.gz SUHXPZJNPVSUTF-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[N@@H+](C)[C@@H]1CCCCC[C@H]1[NH3+] 250116793 344830653 /nfs/dbraw/zinc/83/06/53/344830653.db2.gz SUHXPZJNPVSUTF-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@H]1C 250205417 344830663 /nfs/dbraw/zinc/83/06/63/344830663.db2.gz BYLGNXMSFZOBHG-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@H]1C 250205417 344830666 /nfs/dbraw/zinc/83/06/66/344830666.db2.gz BYLGNXMSFZOBHG-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccsc1 250213478 344830695 /nfs/dbraw/zinc/83/06/95/344830695.db2.gz CWCSQHPWASKCJN-NXEZZACHSA-N 2 2 196.319 1.842 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccsc1 250213478 344830698 /nfs/dbraw/zinc/83/06/98/344830698.db2.gz CWCSQHPWASKCJN-NXEZZACHSA-N 2 2 196.319 1.842 10 0 ADAELP CC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@H]1C 250205415 344830709 /nfs/dbraw/zinc/83/07/09/344830709.db2.gz BYLGNXMSFZOBHG-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@H]1C 250205415 344830711 /nfs/dbraw/zinc/83/07/11/344830711.db2.gz BYLGNXMSFZOBHG-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccsc1 250213482 344830738 /nfs/dbraw/zinc/83/07/38/344830738.db2.gz CWCSQHPWASKCJN-VHSXEESVSA-N 2 2 196.319 1.842 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccsc1 250213482 344830740 /nfs/dbraw/zinc/83/07/40/344830740.db2.gz CWCSQHPWASKCJN-VHSXEESVSA-N 2 2 196.319 1.842 10 0 ADAELP CC[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 250244608 344831198 /nfs/dbraw/zinc/83/11/98/344831198.db2.gz HVLNILYYCXKTLX-RKDXNWHRSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@H]1C 250246321 344831054 /nfs/dbraw/zinc/83/10/54/344831054.db2.gz HZDCSHZQWAZFIM-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1C[C@H](C2CC2)[NH2+]CC[C@H]1C 250246321 344831055 /nfs/dbraw/zinc/83/10/55/344831055.db2.gz HZDCSHZQWAZFIM-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 250244608 344831196 /nfs/dbraw/zinc/83/11/96/344831196.db2.gz HVLNILYYCXKTLX-RKDXNWHRSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C 250244605 344831216 /nfs/dbraw/zinc/83/12/16/344831216.db2.gz HVLNILYYCXKTLX-DTWKUNHWSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 250244605 344831219 /nfs/dbraw/zinc/83/12/19/344831219.db2.gz HVLNILYYCXKTLX-DTWKUNHWSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 250246318 344831291 /nfs/dbraw/zinc/83/12/91/344831291.db2.gz HZDCSHZQWAZFIM-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 250246318 344831292 /nfs/dbraw/zinc/83/12/92/344831292.db2.gz HZDCSHZQWAZFIM-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+](C1CCCC1)[C@@H]1CCC[C@H]1[NH3+] 250350779 344832159 /nfs/dbraw/zinc/83/21/59/344832159.db2.gz AJPNESHXQFZGFB-GHMZBOCLSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@@H+](C1CCCC1)[C@@H]1CCC[C@H]1[NH3+] 250350779 344832161 /nfs/dbraw/zinc/83/21/61/344832161.db2.gz AJPNESHXQFZGFB-GHMZBOCLSA-N 2 2 182.311 1.741 10 0 ADAELP C[NH+](C)C[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 250356051 344832270 /nfs/dbraw/zinc/83/22/70/344832270.db2.gz NYGBTWCMEUPXSN-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1C[C@H](C(C)C)[NH2+]CC[C@H]1C 250362307 344832678 /nfs/dbraw/zinc/83/26/78/344832678.db2.gz UFRUDSKBKSCUJH-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC[N@H+]1C[C@H](C(C)C)[NH2+]CC[C@H]1C 250362307 344832681 /nfs/dbraw/zinc/83/26/81/344832681.db2.gz UFRUDSKBKSCUJH-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[N@@H+]1CCC[NH+]2CCCC[C@H]2C1 250368147 344832798 /nfs/dbraw/zinc/83/27/98/344832798.db2.gz HENODHSTBFIFMK-JTQLQIEISA-N 2 2 168.284 1.176 10 0 ADAELP C[N@H+]1CCC[NH+]2CCCC[C@H]2C1 250368147 344832799 /nfs/dbraw/zinc/83/27/99/344832799.db2.gz HENODHSTBFIFMK-JTQLQIEISA-N 2 2 168.284 1.176 10 0 ADAELP C[NH+]1CCC[N@@H+]2CCCC[C@H]2C1 250368147 344832801 /nfs/dbraw/zinc/83/28/01/344832801.db2.gz HENODHSTBFIFMK-JTQLQIEISA-N 2 2 168.284 1.176 10 0 ADAELP C[NH+]1CCC[N@H+]2CCCC[C@H]2C1 250368147 344832802 /nfs/dbraw/zinc/83/28/02/344832802.db2.gz HENODHSTBFIFMK-JTQLQIEISA-N 2 2 168.284 1.176 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccc(C)o1 250365221 344832806 /nfs/dbraw/zinc/83/28/06/344832806.db2.gz URSZKQVTLVPXBE-ONGXEEELSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccc(C)o1 250365221 344832807 /nfs/dbraw/zinc/83/28/07/344832807.db2.gz URSZKQVTLVPXBE-ONGXEEELSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1C[C@@H](C(C)C)[NH2+]CC[C@H]1C 250362308 344832823 /nfs/dbraw/zinc/83/28/23/344832823.db2.gz UFRUDSKBKSCUJH-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP C[N@H+](CC1CCC1)[C@H]1CCCC[C@H]1[NH3+] 250376823 344833215 /nfs/dbraw/zinc/83/32/15/344833215.db2.gz IMDXEKJUSWULOF-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CCC1)[C@H]1CCCC[C@H]1[NH3+] 250376823 344833217 /nfs/dbraw/zinc/83/32/17/344833217.db2.gz IMDXEKJUSWULOF-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccccc1 250394176 344833415 /nfs/dbraw/zinc/83/34/15/344833415.db2.gz YJRQUAURNNVCEM-VXGBXAGGSA-N 2 2 190.290 1.781 10 0 ADAELP C[N@H+](CC1CC1)[C@H]1CCCC[C@H]1[NH3+] 250423732 344833865 /nfs/dbraw/zinc/83/38/65/344833865.db2.gz PTKVJERZEHABLS-MNOVXSKESA-N 2 2 182.311 1.598 10 0 ADAELP C[N@@H+](CC1CC1)[C@H]1CCCC[C@H]1[NH3+] 250423732 344833867 /nfs/dbraw/zinc/83/38/67/344833867.db2.gz PTKVJERZEHABLS-MNOVXSKESA-N 2 2 182.311 1.598 10 0 ADAELP C[N@H+](CC1CCCC1)[C@H]1CCC[C@H]1[NH3+] 250416292 344833928 /nfs/dbraw/zinc/83/39/28/344833928.db2.gz ONCADEZUKRAETO-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CCCC1)[C@H]1CCC[C@H]1[NH3+] 250416292 344833929 /nfs/dbraw/zinc/83/39/29/344833929.db2.gz ONCADEZUKRAETO-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@H+](CC1CC1)[C@H]1CCCCC[C@H]1[NH3+] 250493702 344834393 /nfs/dbraw/zinc/83/43/93/344834393.db2.gz YROVHGOAZAUDBN-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CC1)[C@H]1CCCCC[C@H]1[NH3+] 250493702 344834395 /nfs/dbraw/zinc/83/43/95/344834395.db2.gz YROVHGOAZAUDBN-NEPJUHHUSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@H+](CC1CC1)[C@@H]1CCCCC[C@H]1[NH3+] 250493704 344834485 /nfs/dbraw/zinc/83/44/85/344834485.db2.gz YROVHGOAZAUDBN-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP C[N@@H+](CC1CC1)[C@@H]1CCCCC[C@H]1[NH3+] 250493704 344834488 /nfs/dbraw/zinc/83/44/88/344834488.db2.gz YROVHGOAZAUDBN-VXGBXAGGSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccco1 250492169 344834526 /nfs/dbraw/zinc/83/45/26/344834526.db2.gz HMBVOXRMCRTELK-ONGXEEELSA-N 2 2 194.278 1.762 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccco1 250492169 344834528 /nfs/dbraw/zinc/83/45/28/344834528.db2.gz HMBVOXRMCRTELK-ONGXEEELSA-N 2 2 194.278 1.762 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C1 250492896 344834539 /nfs/dbraw/zinc/83/45/39/344834539.db2.gz HTHPJVHRYCODMV-MNOVXSKESA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C1 250492896 344834540 /nfs/dbraw/zinc/83/45/40/344834540.db2.gz HTHPJVHRYCODMV-MNOVXSKESA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+](C)[C@H]1CCCCC[C@H]1[NH3+] 250526298 344835747 /nfs/dbraw/zinc/83/57/47/344835747.db2.gz VGIPBSKEZVRKSA-MNOVXSKESA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[N@@H+](C)[C@H]1CCCCC[C@H]1[NH3+] 250526298 344835749 /nfs/dbraw/zinc/83/57/49/344835749.db2.gz VGIPBSKEZVRKSA-MNOVXSKESA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[N@H+](C)[C@@H]1CCCCC[C@H]1[NH3+] 250526295 344835950 /nfs/dbraw/zinc/83/59/50/344835950.db2.gz VGIPBSKEZVRKSA-GHMZBOCLSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)[N@@H+](C)[C@@H]1CCCCC[C@H]1[NH3+] 250526295 344835951 /nfs/dbraw/zinc/83/59/51/344835951.db2.gz VGIPBSKEZVRKSA-GHMZBOCLSA-N 2 2 184.327 1.987 10 0 ADAELP CC[NH2+][C@@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 250577603 344836530 /nfs/dbraw/zinc/83/65/30/344836530.db2.gz AEMWNPRGWUXBKV-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP CC[NH2+][C@@H]1CC[N@H+]([C@H]2CC2(C)C)C1 250577603 344836533 /nfs/dbraw/zinc/83/65/33/344836533.db2.gz AEMWNPRGWUXBKV-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH3+])[C@H]1c1ccsc1 250550390 344836561 /nfs/dbraw/zinc/83/65/61/344836561.db2.gz ACHKOMCGAAGIOG-VHSXEESVSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@H]([NH3+])[C@H]1c1ccsc1 250550390 344836562 /nfs/dbraw/zinc/83/65/62/344836562.db2.gz ACHKOMCGAAGIOG-VHSXEESVSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+]1CCC[C@H]([NH3+])[C@H]1c1cccs1 250598736 344836843 /nfs/dbraw/zinc/83/68/43/344836843.db2.gz JMLFPQVVYNPFLF-WPRPVWTQSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@H]([NH3+])[C@H]1c1cccs1 250598736 344836845 /nfs/dbraw/zinc/83/68/45/344836845.db2.gz JMLFPQVVYNPFLF-WPRPVWTQSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1c1cccs1 250598734 344837266 /nfs/dbraw/zinc/83/72/66/344837266.db2.gz JMLFPQVVYNPFLF-SCZZXKLOSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@@H]([NH3+])[C@H]1c1cccs1 250598734 344837267 /nfs/dbraw/zinc/83/72/67/344837267.db2.gz JMLFPQVVYNPFLF-SCZZXKLOSA-N 2 2 196.319 1.842 10 0 ADAELP Cn1c[nH+]cc1[C@]1([NH3+])[C@H]2CCC[C@H]21 250622099 344837430 /nfs/dbraw/zinc/83/74/30/344837430.db2.gz QCFZLEMDNVNIDA-DIYOJNKTSA-N 2 2 177.251 1.004 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 250690575 344839706 /nfs/dbraw/zinc/83/97/06/344839706.db2.gz JDMOEZZPQITONG-NSHDSACASA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)(C)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 250690575 344839710 /nfs/dbraw/zinc/83/97/10/344839710.db2.gz JDMOEZZPQITONG-NSHDSACASA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)(C)[NH+]1CCC[N@H+]2CCC[C@H]2C1 250690575 344839713 /nfs/dbraw/zinc/83/97/13/344839713.db2.gz JDMOEZZPQITONG-NSHDSACASA-N 2 2 196.338 1.955 10 0 ADAELP C1CC([NH+]2CCC[N@H+]3CCC[C@H]3C2)C1 250683407 344839779 /nfs/dbraw/zinc/83/97/79/344839779.db2.gz ZLXXMPACPIGYDG-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC([N@@H+]2CCC[NH+]3CCC[C@H]3C2)C1 250683407 344839773 /nfs/dbraw/zinc/83/97/73/344839773.db2.gz ZLXXMPACPIGYDG-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC([N@H+]2CCC[NH+]3CCC[C@H]3C2)C1 250683407 344839774 /nfs/dbraw/zinc/83/97/74/344839774.db2.gz ZLXXMPACPIGYDG-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC([NH+]2CCC[N@@H+]3CCC[C@H]3C2)C1 250683407 344839777 /nfs/dbraw/zinc/83/97/77/344839777.db2.gz ZLXXMPACPIGYDG-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP CC(C)[N@@H+]1CCC[NH+]2CCCC[C@H]2C1 250730289 344840189 /nfs/dbraw/zinc/84/01/89/344840189.db2.gz INPFXYUNZUKIQR-LBPRGKRZSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[N@H+]1CCC[NH+]2CCCC[C@H]2C1 250730289 344840191 /nfs/dbraw/zinc/84/01/91/344840191.db2.gz INPFXYUNZUKIQR-LBPRGKRZSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[NH+]1CCC[N@@H+]2CCCC[C@H]2C1 250730289 344840193 /nfs/dbraw/zinc/84/01/93/344840193.db2.gz INPFXYUNZUKIQR-LBPRGKRZSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[NH+]1CCC[N@H+]2CCCC[C@H]2C1 250730289 344840196 /nfs/dbraw/zinc/84/01/96/344840196.db2.gz INPFXYUNZUKIQR-LBPRGKRZSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 250763818 344840535 /nfs/dbraw/zinc/84/05/35/344840535.db2.gz QVGKTOLQILHUTM-QWRGUYRKSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[NH2+][C@H]1CC[N@H+]([C@H]2CC2(C)C)C1 250763818 344840536 /nfs/dbraw/zinc/84/05/36/344840536.db2.gz QVGKTOLQILHUTM-QWRGUYRKSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 250763815 344840544 /nfs/dbraw/zinc/84/05/44/344840544.db2.gz QVGKTOLQILHUTM-MNOVXSKESA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[NH2+][C@@H]1CC[N@H+]([C@H]2CC2(C)C)C1 250763815 344840546 /nfs/dbraw/zinc/84/05/46/344840546.db2.gz QVGKTOLQILHUTM-MNOVXSKESA-N 2 2 196.338 1.857 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 250781574 344840887 /nfs/dbraw/zinc/84/08/87/344840887.db2.gz DBRCMRKNXBIRMI-NXEZZACHSA-N 2 2 182.311 1.741 10 0 ADAELP CC1(C)CCC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 250781574 344840889 /nfs/dbraw/zinc/84/08/89/344840889.db2.gz DBRCMRKNXBIRMI-NXEZZACHSA-N 2 2 182.311 1.741 10 0 ADAELP CC(C)[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] 250782196 344840911 /nfs/dbraw/zinc/84/09/11/344840911.db2.gz WVPJZRBLAZJHHI-UWVGGRQHSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 250782196 344840914 /nfs/dbraw/zinc/84/09/14/344840914.db2.gz WVPJZRBLAZJHHI-UWVGGRQHSA-N 2 2 170.300 1.597 10 0 ADAELP CC1(C)CCC[N@@H+]1[C@H]1CCC[C@H]1[NH3+] 250781578 344840972 /nfs/dbraw/zinc/84/09/72/344840972.db2.gz DBRCMRKNXBIRMI-ZJUUUORDSA-N 2 2 182.311 1.741 10 0 ADAELP CC1(C)CCC[N@H+]1[C@H]1CCC[C@H]1[NH3+] 250781578 344840974 /nfs/dbraw/zinc/84/09/74/344840974.db2.gz DBRCMRKNXBIRMI-ZJUUUORDSA-N 2 2 182.311 1.741 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@@H+]([C@H]2CC2(C)C)C1 250774384 344841024 /nfs/dbraw/zinc/84/10/24/344841024.db2.gz ZVHNCNPJGIHKNF-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@@H]1CCC[N@H+]([C@H]2CC2(C)C)C1 250774384 344841026 /nfs/dbraw/zinc/84/10/26/344841026.db2.gz ZVHNCNPJGIHKNF-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 250782198 344841079 /nfs/dbraw/zinc/84/10/79/344841079.db2.gz WVPJZRBLAZJHHI-VHSXEESVSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 250782198 344841080 /nfs/dbraw/zinc/84/10/80/344841080.db2.gz WVPJZRBLAZJHHI-VHSXEESVSA-N 2 2 170.300 1.597 10 0 ADAELP CC[NH2+][C@H]1CCC[N@@H+]([C@H]2CC2(C)C)C1 250774386 344841120 /nfs/dbraw/zinc/84/11/20/344841120.db2.gz ZVHNCNPJGIHKNF-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH2+][C@H]1CCC[N@H+]([C@H]2CC2(C)C)C1 250774386 344841122 /nfs/dbraw/zinc/84/11/22/344841122.db2.gz ZVHNCNPJGIHKNF-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC1(C)CC[N@@H+]([C@H]2CCCC[C@H]2[NH3+])C1 250806442 344841374 /nfs/dbraw/zinc/84/13/74/344841374.db2.gz RKQSDHJQLHOFRJ-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[N@H+]([C@H]2CCCC[C@H]2[NH3+])C1 250806442 344841375 /nfs/dbraw/zinc/84/13/75/344841375.db2.gz RKQSDHJQLHOFRJ-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[N@@H+]([C@@H]2CCCC[C@H]2[NH3+])C1 250806441 344841622 /nfs/dbraw/zinc/84/16/22/344841622.db2.gz RKQSDHJQLHOFRJ-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[N@H+]([C@@H]2CCCC[C@H]2[NH3+])C1 250806441 344841624 /nfs/dbraw/zinc/84/16/24/344841624.db2.gz RKQSDHJQLHOFRJ-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP CC1(C)CC[N@@H+]([C@@H]2CCC[C@H]2[NH3+])C1 250820859 344841854 /nfs/dbraw/zinc/84/18/54/344841854.db2.gz ZSBZWJYJCZZDPK-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP CC1(C)CC[N@H+]([C@@H]2CCC[C@H]2[NH3+])C1 250820859 344841856 /nfs/dbraw/zinc/84/18/56/344841856.db2.gz ZSBZWJYJCZZDPK-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1C[C@H]1[C@H](C)[NH3+] 250873421 344842848 /nfs/dbraw/zinc/84/28/48/344842848.db2.gz MSOSRCGPTWZIAA-LPEHRKFASA-N 2 2 176.263 1.841 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCCCC[C@H]1C 251033925 344844690 /nfs/dbraw/zinc/84/46/90/344844690.db2.gz AYBNYSZQWHJJPK-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCCCC[C@H]1C 251033925 344844691 /nfs/dbraw/zinc/84/46/91/344844691.db2.gz AYBNYSZQWHJJPK-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)C[C@H]1C 251059866 344845444 /nfs/dbraw/zinc/84/54/44/344845444.db2.gz HQCXFWSWXMURTD-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CC[C@@H](C)C[C@H]1C 251059866 344845448 /nfs/dbraw/zinc/84/54/48/344845448.db2.gz HQCXFWSWXMURTD-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+]1CCSC[C@H]1C 251065175 344845552 /nfs/dbraw/zinc/84/55/52/344845552.db2.gz IPWWIUPHHDSVKE-BDAKNGLRSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+]1CCSC[C@H]1C 251065175 344845555 /nfs/dbraw/zinc/84/55/55/344845555.db2.gz IPWWIUPHHDSVKE-BDAKNGLRSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C[C@H]1C 251059865 344845584 /nfs/dbraw/zinc/84/55/84/344845584.db2.gz HQCXFWSWXMURTD-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CC[C@H](C)C[C@H]1C 251059865 344845586 /nfs/dbraw/zinc/84/55/86/344845586.db2.gz HQCXFWSWXMURTD-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1CCSC[C@H]1C 251075574 344846049 /nfs/dbraw/zinc/84/60/49/344846049.db2.gz KLMFHQMHZLVRMT-RKDXNWHRSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1CCSC[C@H]1C 251075574 344846051 /nfs/dbraw/zinc/84/60/51/344846051.db2.gz KLMFHQMHZLVRMT-RKDXNWHRSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H]([NH3+])C[N@@H+]1CCSC[C@H]1C 251075571 344846122 /nfs/dbraw/zinc/84/61/22/344846122.db2.gz KLMFHQMHZLVRMT-BDAKNGLRSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@H]([NH3+])C[N@H+]1CCSC[C@H]1C 251075571 344846124 /nfs/dbraw/zinc/84/61/24/344846124.db2.gz KLMFHQMHZLVRMT-BDAKNGLRSA-N 2 2 188.340 1.161 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CC2(C)C)C1 251117895 344847512 /nfs/dbraw/zinc/84/75/12/344847512.db2.gz DNFCNCHJMATPDV-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CC2(C)C)C1 251117895 344847514 /nfs/dbraw/zinc/84/75/14/344847514.db2.gz DNFCNCHJMATPDV-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC2(C)C)C1 251186674 344848516 /nfs/dbraw/zinc/84/85/16/344848516.db2.gz RUMKHVFMKOXDOO-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CC2(C)C)C1 251186674 344848519 /nfs/dbraw/zinc/84/85/19/344848519.db2.gz RUMKHVFMKOXDOO-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 251194388 344848855 /nfs/dbraw/zinc/84/88/55/344848855.db2.gz AYSIIXLCIIYDRG-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](c1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 251202108 344848886 /nfs/dbraw/zinc/84/88/86/344848886.db2.gz GLGRQKYHEYRGHX-NXEZZACHSA-N 2 2 194.278 1.764 10 0 ADAELP CC[C@H](c1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 251202108 344848888 /nfs/dbraw/zinc/84/88/88/344848888.db2.gz GLGRQKYHEYRGHX-NXEZZACHSA-N 2 2 194.278 1.764 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 251194390 344848908 /nfs/dbraw/zinc/84/89/08/344848908.db2.gz AYSIIXLCIIYDRG-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 251194390 344848912 /nfs/dbraw/zinc/84/89/12/344848912.db2.gz AYSIIXLCIIYDRG-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H](c1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 251202111 344849022 /nfs/dbraw/zinc/84/90/22/344849022.db2.gz GLGRQKYHEYRGHX-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP CC[C@@H](c1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 251202111 344849026 /nfs/dbraw/zinc/84/90/26/344849026.db2.gz GLGRQKYHEYRGHX-ZJUUUORDSA-N 2 2 194.278 1.764 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+]1CCCC[C@H]1C 251207911 344849549 /nfs/dbraw/zinc/84/95/49/344849549.db2.gz CXPSRUHPOPTTJW-GHMZBOCLSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+]1CCCC[C@H]1C 251207911 344849551 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/nfs/dbraw/zinc/84/98/40/344849840.db2.gz GZQQIMWASUIKAY-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP CCC(C)(C)[N@H+](C)[C@H]1C[NH2+]C[C@H]1C 251227821 344849953 /nfs/dbraw/zinc/84/99/53/344849953.db2.gz GZQQIMWASUIKAY-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP CCC(C)(C)[N@@H+](C)[C@H]1C[NH2+]C[C@H]1C 251227821 344849955 /nfs/dbraw/zinc/84/99/55/344849955.db2.gz GZQQIMWASUIKAY-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251335065 344852264 /nfs/dbraw/zinc/85/22/64/344852264.db2.gz NYSCOXZPIXIVIL-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251335065 344852266 /nfs/dbraw/zinc/85/22/66/344852266.db2.gz NYSCOXZPIXIVIL-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 251335061 344852322 /nfs/dbraw/zinc/85/23/22/344852322.db2.gz NYSCOXZPIXIVIL-DCAQKATOSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 251335061 344852323 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/nfs/dbraw/zinc/85/42/31/344854231.db2.gz UDHKBUAVTIRAEP-QWRGUYRKSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1 251435983 344854233 /nfs/dbraw/zinc/85/42/33/344854233.db2.gz UDHKBUAVTIRAEP-QWRGUYRKSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[N@@H+](C2CCCC2)C[C@H]1[NH3+] 251525377 344855763 /nfs/dbraw/zinc/85/57/63/344855763.db2.gz AJCPDNNDSBRXEC-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[N@H+](C2CCCC2)C[C@H]1[NH3+] 251525377 344855766 /nfs/dbraw/zinc/85/57/66/344855766.db2.gz AJCPDNNDSBRXEC-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@@H+](C2CCCC2)C[C@H]1[NH3+] 251525390 344855924 /nfs/dbraw/zinc/85/59/24/344855924.db2.gz AJCPDNNDSBRXEC-MWLCHTKSSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@H+](C2CCCC2)C[C@H]1[NH3+] 251525390 344855926 /nfs/dbraw/zinc/85/59/26/344855926.db2.gz AJCPDNNDSBRXEC-MWLCHTKSSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+]([C@H]2CC2(C)C)C1 251541017 344856281 /nfs/dbraw/zinc/85/62/81/344856281.db2.gz ATIIUMOJZAQVEI-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 251537177 344856271 /nfs/dbraw/zinc/85/62/71/344856271.db2.gz AOPNOAJPZDBRJT-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CCC[NH2+][C@H](C)C1 251537177 344856273 /nfs/dbraw/zinc/85/62/73/344856273.db2.gz AOPNOAJPZDBRJT-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2CC2(C)C)C1 251541017 344856284 /nfs/dbraw/zinc/85/62/84/344856284.db2.gz ATIIUMOJZAQVEI-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@H]2CC2(C)C)C1 251541010 344856329 /nfs/dbraw/zinc/85/63/29/344856329.db2.gz ATIIUMOJZAQVEI-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@H]2CC2(C)C)C1 251541010 344856331 /nfs/dbraw/zinc/85/63/31/344856331.db2.gz ATIIUMOJZAQVEI-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H]1[NH3+] 251548615 344856968 /nfs/dbraw/zinc/85/69/68/344856968.db2.gz BABVUAAWKFPGRM-MXWKQRLJSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1[NH3+] 251548615 344856969 /nfs/dbraw/zinc/85/69/69/344856969.db2.gz BABVUAAWKFPGRM-MXWKQRLJSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 251548601 344857116 /nfs/dbraw/zinc/85/71/16/344857116.db2.gz BABVUAAWKFPGRM-GMTAPVOTSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 251548601 344857120 /nfs/dbraw/zinc/85/71/20/344857120.db2.gz BABVUAAWKFPGRM-GMTAPVOTSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] 251548628 344857231 /nfs/dbraw/zinc/85/72/31/344857231.db2.gz BABVUAAWKFPGRM-VWYCJHECSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]1[NH3+] 251548628 344857234 /nfs/dbraw/zinc/85/72/34/344857234.db2.gz BABVUAAWKFPGRM-VWYCJHECSA-N 2 2 182.311 1.741 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+]1CCCCC[C@H]1C 251563081 344857608 /nfs/dbraw/zinc/85/76/08/344857608.db2.gz AJRTUBMZJFXROQ-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+]1CCCCC[C@H]1C 251563081 344857613 /nfs/dbraw/zinc/85/76/13/344857613.db2.gz AJRTUBMZJFXROQ-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1C[N@@H+]([C@H](C)C2CC2)CCC[NH2+]1 251559164 344857703 /nfs/dbraw/zinc/85/77/03/344857703.db2.gz BKSGZKGAMCHBAB-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[N@H+]([C@H](C)C2CC2)CCC[NH2+]1 251559164 344857707 /nfs/dbraw/zinc/85/77/07/344857707.db2.gz BKSGZKGAMCHBAB-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@@H+]([C@H](C)C2CC2)CCC[NH2+]1 251559159 344857732 /nfs/dbraw/zinc/85/77/32/344857732.db2.gz BKSGZKGAMCHBAB-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1C[N@H+]([C@H](C)C2CC2)CCC[NH2+]1 251559159 344857734 /nfs/dbraw/zinc/85/77/34/344857734.db2.gz BKSGZKGAMCHBAB-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH+]([C@H](C)C[NH3+])C[C@@H](C)S1 251564427 344857960 /nfs/dbraw/zinc/85/79/60/344857960.db2.gz CZXVUUCEJLGYRC-IWSPIJDZSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1C[NH2+]C[C@H]1C 251574789 344858452 /nfs/dbraw/zinc/85/84/52/344858452.db2.gz BUSMUHMSHRZKPK-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H]1C[NH2+]C[C@H]1C 251574789 344858454 /nfs/dbraw/zinc/85/84/54/344858454.db2.gz BUSMUHMSHRZKPK-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)CC[C@@H]1C 251574784 344858714 /nfs/dbraw/zinc/85/87/14/344858714.db2.gz BUSMUHMSHRZKPK-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)CC[C@@H]1C 251574784 344858717 /nfs/dbraw/zinc/85/87/17/344858717.db2.gz BUSMUHMSHRZKPK-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1[C@H]1C[NH2+]C[C@H]1C 251574794 344858755 /nfs/dbraw/zinc/85/87/55/344858755.db2.gz BUSMUHMSHRZKPK-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C)C[N@H+]1C 251584671 344859079 /nfs/dbraw/zinc/85/90/79/344859079.db2.gz BDDAFNKWRKTFBD-RHYQMDGZSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C)C[N@@H+]1C 251584671 344859080 /nfs/dbraw/zinc/85/90/80/344859080.db2.gz BDDAFNKWRKTFBD-RHYQMDGZSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CC[N@@H+]1[C@H]1CCCC[NH2+]C1 251580265 344859272 /nfs/dbraw/zinc/85/92/72/344859272.db2.gz DZGCVCQWKXSLFI-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[N@H+]1[C@H]1CCCC[NH2+]C1 251580265 344859273 /nfs/dbraw/zinc/85/92/73/344859273.db2.gz DZGCVCQWKXSLFI-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 251584676 344859300 /nfs/dbraw/zinc/85/93/00/344859300.db2.gz BDDAFNKWRKTFBD-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 251584676 344859304 /nfs/dbraw/zinc/85/93/04/344859304.db2.gz BDDAFNKWRKTFBD-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@H]1CCCC[NH2+]C1 251580270 344859471 /nfs/dbraw/zinc/85/94/71/344859471.db2.gz DZGCVCQWKXSLFI-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@H]1CCCC[NH2+]C1 251580270 344859472 /nfs/dbraw/zinc/85/94/72/344859472.db2.gz DZGCVCQWKXSLFI-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP CC(C)=CC[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 251605435 344860532 /nfs/dbraw/zinc/86/05/32/344860532.db2.gz GMZKZIUTKTVIFL-WDEREUQCSA-N 2 2 182.311 1.622 10 0 ADAELP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 251605435 344860534 /nfs/dbraw/zinc/86/05/34/344860534.db2.gz GMZKZIUTKTVIFL-WDEREUQCSA-N 2 2 182.311 1.622 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCSC[C@H]1C 251609592 344860550 /nfs/dbraw/zinc/86/05/50/344860550.db2.gz DKJWXIPTVQEEOP-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCSC[C@H]1C 251609592 344860552 /nfs/dbraw/zinc/86/05/52/344860552.db2.gz DKJWXIPTVQEEOP-DTWKUNHWSA-N 2 2 188.340 1.032 10 0 ADAELP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251605430 344860733 /nfs/dbraw/zinc/86/07/33/344860733.db2.gz GMZKZIUTKTVIFL-GHMZBOCLSA-N 2 2 182.311 1.622 10 0 ADAELP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251605430 344860734 /nfs/dbraw/zinc/86/07/34/344860734.db2.gz GMZKZIUTKTVIFL-GHMZBOCLSA-N 2 2 182.311 1.622 10 0 ADAELP C[C@H]1CC[N@@H+](C2CCCCC2)C[C@H]1[NH3+] 251607982 344860826 /nfs/dbraw/zinc/86/08/26/344860826.db2.gz GRQRNRVVGBIMJR-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@H+](C2CCCCC2)C[C@H]1[NH3+] 251607982 344860828 /nfs/dbraw/zinc/86/08/28/344860828.db2.gz GRQRNRVVGBIMJR-CMPLNLGQSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251616192 344861007 /nfs/dbraw/zinc/86/10/07/344861007.db2.gz HGHMSVTXVHVYBS-WCABBAIRSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251616192 344861011 /nfs/dbraw/zinc/86/10/11/344861011.db2.gz HGHMSVTXVHVYBS-WCABBAIRSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)C[C@H]1[NH3+] 251616190 344861095 /nfs/dbraw/zinc/86/10/95/344861095.db2.gz HGHMSVTXVHVYBS-FXPVBKGRSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)C2CC2)C[C@H]1[NH3+] 251616190 344861099 /nfs/dbraw/zinc/86/10/99/344861099.db2.gz HGHMSVTXVHVYBS-FXPVBKGRSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C[NH3+])c2ccco2)C1 251618710 344861113 /nfs/dbraw/zinc/86/11/13/344861113.db2.gz HLLDGLAWIOEWGR-NXEZZACHSA-N 2 2 194.278 1.621 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C[NH3+])c2ccco2)C1 251618710 344861115 /nfs/dbraw/zinc/86/11/15/344861115.db2.gz HLLDGLAWIOEWGR-NXEZZACHSA-N 2 2 194.278 1.621 10 0 ADAELP C[C@H]1CC[N@@H+]([C@H](C[NH3+])c2ccco2)C1 251618714 344861197 /nfs/dbraw/zinc/86/11/97/344861197.db2.gz HLLDGLAWIOEWGR-VHSXEESVSA-N 2 2 194.278 1.621 10 0 ADAELP C[C@H]1CC[N@H+]([C@H](C[NH3+])c2ccco2)C1 251618714 344861201 /nfs/dbraw/zinc/86/12/01/344861201.db2.gz HLLDGLAWIOEWGR-VHSXEESVSA-N 2 2 194.278 1.621 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+]1CCC[C@H]1C 251627026 344861718 /nfs/dbraw/zinc/86/17/18/344861718.db2.gz IAZHLMZGDHCOTN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCC[C@H]1C 251627026 344861720 /nfs/dbraw/zinc/86/17/20/344861720.db2.gz IAZHLMZGDHCOTN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]C)C1 251625018 344862113 /nfs/dbraw/zinc/86/21/13/344862113.db2.gz FEJQMSWCPDVTCP-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]C)C1 251625018 344862117 /nfs/dbraw/zinc/86/21/17/344862117.db2.gz FEJQMSWCPDVTCP-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2[NH2+]C)C1 251625009 344862145 /nfs/dbraw/zinc/86/21/45/344862145.db2.gz FEJQMSWCPDVTCP-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2[NH2+]C)C1 251625009 344862149 /nfs/dbraw/zinc/86/21/49/344862149.db2.gz FEJQMSWCPDVTCP-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H](C)[N@@H+]1[C@H]1CC[NH2+]C1 251623673 344862230 /nfs/dbraw/zinc/86/22/30/344862230.db2.gz LQWRAQJNLRHHSQ-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CC[C@@H](C)[N@H+]1[C@H]1CC[NH2+]C1 251623673 344862233 /nfs/dbraw/zinc/86/22/33/344862233.db2.gz LQWRAQJNLRHHSQ-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CC[NH2+]C1 251623671 344862287 /nfs/dbraw/zinc/86/22/87/344862287.db2.gz LQWRAQJNLRHHSQ-AXFHLTTASA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CC[NH2+]C1 251623671 344862288 /nfs/dbraw/zinc/86/22/88/344862288.db2.gz LQWRAQJNLRHHSQ-AXFHLTTASA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@H+]1CCC[C@H]1C 251627024 344862344 /nfs/dbraw/zinc/86/23/44/344862344.db2.gz IAZHLMZGDHCOTN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@@H+]1CCC[C@H]1C 251627024 344862347 /nfs/dbraw/zinc/86/23/47/344862347.db2.gz IAZHLMZGDHCOTN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2[NH2+]C)C1 251625027 344862358 /nfs/dbraw/zinc/86/23/58/344862358.db2.gz FEJQMSWCPDVTCP-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2[NH2+]C)C1 251625027 344862360 /nfs/dbraw/zinc/86/23/60/344862360.db2.gz FEJQMSWCPDVTCP-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CC[NH2+]C[C@H](C)C1 251644320 344862457 /nfs/dbraw/zinc/86/24/57/344862457.db2.gz GBTHFTLIPFKVTG-WDEREUQCSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CC[NH2+]C[C@H](C)C1 251644320 344862459 /nfs/dbraw/zinc/86/24/59/344862459.db2.gz GBTHFTLIPFKVTG-WDEREUQCSA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)C2CC2)CC[NH2+]1 251641200 344862594 /nfs/dbraw/zinc/86/25/94/344862594.db2.gz JDFYHHUWUXLINY-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)CC[NH2+]1 251641200 344862597 /nfs/dbraw/zinc/86/25/97/344862597.db2.gz JDFYHHUWUXLINY-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@H]1CC[N@@H+]([C@H](C)C2CC2)CC[NH2+]1 251639301 344862880 /nfs/dbraw/zinc/86/28/80/344862880.db2.gz FWQPVTYDWRROJZ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[N@H+]([C@H](C)C2CC2)CC[NH2+]1 251639301 344862883 /nfs/dbraw/zinc/86/28/83/344862883.db2.gz FWQPVTYDWRROJZ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 251640064 344862947 /nfs/dbraw/zinc/86/29/47/344862947.db2.gz JBZPSYQRUAMKMM-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CC[NH2+][C@H](C)CC1 251640064 344862948 /nfs/dbraw/zinc/86/29/48/344862948.db2.gz JBZPSYQRUAMKMM-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H](C)C2CC2)CC[NH2+]1 251639302 344862993 /nfs/dbraw/zinc/86/29/93/344862993.db2.gz FWQPVTYDWRROJZ-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H](C)C2CC2)CC[NH2+]1 251639302 344862995 /nfs/dbraw/zinc/86/29/95/344862995.db2.gz FWQPVTYDWRROJZ-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@H+]([C@H](C)C2CC2)CCC[NH2+]1 251649831 344863680 /nfs/dbraw/zinc/86/36/80/344863680.db2.gz GINAESPNDZLUGK-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)C2CC2)CCC[NH2+]1 251649831 344863682 /nfs/dbraw/zinc/86/36/82/344863682.db2.gz GINAESPNDZLUGK-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H]2CCCC[C@H]2[NH3+])C1 251659954 344864231 /nfs/dbraw/zinc/86/42/31/344864231.db2.gz KRHXXNOEGGWOAM-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H]2CCCC[C@H]2[NH3+])C1 251659954 344864232 /nfs/dbraw/zinc/86/42/32/344864232.db2.gz KRHXXNOEGGWOAM-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H]2CCCCC[C@@H]2[NH3+])C1 251664103 344864251 /nfs/dbraw/zinc/86/42/51/344864251.db2.gz LALVMKILLWCYOM-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H]2CCCCC[C@@H]2[NH3+])C1 251664103 344864252 /nfs/dbraw/zinc/86/42/52/344864252.db2.gz LALVMKILLWCYOM-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCCCC[C@H]2[NH3+])C1 251664095 344864286 /nfs/dbraw/zinc/86/42/86/344864286.db2.gz LALVMKILLWCYOM-IJLUTSLNSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCCCC[C@H]2[NH3+])C1 251664095 344864288 /nfs/dbraw/zinc/86/42/88/344864288.db2.gz LALVMKILLWCYOM-IJLUTSLNSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2[NH3+])C1 251659952 344864425 /nfs/dbraw/zinc/86/44/25/344864425.db2.gz KRHXXNOEGGWOAM-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@H]2[NH3+])C1 251659952 344864426 /nfs/dbraw/zinc/86/44/26/344864426.db2.gz KRHXXNOEGGWOAM-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H]2CCCC[C@@H]2[NH3+])C1 251659958 344864470 /nfs/dbraw/zinc/86/44/70/344864470.db2.gz KRHXXNOEGGWOAM-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H]2CCCC[C@@H]2[NH3+])C1 251659958 344864474 /nfs/dbraw/zinc/86/44/74/344864474.db2.gz KRHXXNOEGGWOAM-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H]2CCCCC[C@H]2[NH3+])C1 251664099 344864588 /nfs/dbraw/zinc/86/45/88/344864588.db2.gz LALVMKILLWCYOM-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H]2CCCCC[C@H]2[NH3+])C1 251664099 344864590 /nfs/dbraw/zinc/86/45/90/344864590.db2.gz LALVMKILLWCYOM-UTUOFQBUSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@H](C)[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 251673287 344864877 /nfs/dbraw/zinc/86/48/77/344864877.db2.gz COXGXXRZIDCPBH-OUAUKWLOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 251673287 344864882 /nfs/dbraw/zinc/86/48/82/344864882.db2.gz COXGXXRZIDCPBH-OUAUKWLOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C 251672609 344865037 /nfs/dbraw/zinc/86/50/37/344865037.db2.gz COXGXXRZIDCPBH-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 251672609 344865039 /nfs/dbraw/zinc/86/50/39/344865039.db2.gz COXGXXRZIDCPBH-GARJFASQSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 251670914 344865150 /nfs/dbraw/zinc/86/51/50/344865150.db2.gz LNZLNLVTZOUWQQ-GARJFASQSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 251670914 344865151 /nfs/dbraw/zinc/86/51/51/344865151.db2.gz LNZLNLVTZOUWQQ-GARJFASQSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251670917 344865209 /nfs/dbraw/zinc/86/52/09/344865209.db2.gz LNZLNLVTZOUWQQ-OUAUKWLOSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 251670917 344865211 /nfs/dbraw/zinc/86/52/11/344865211.db2.gz LNZLNLVTZOUWQQ-OUAUKWLOSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2C[NH2+]C[C@@H]2C)C[C@H]1C 251685112 344865762 /nfs/dbraw/zinc/86/57/62/344865762.db2.gz IAUHZCWNDKQQJC-LNFKQOIKSA-N 2 2 182.311 1.182 10 0 ADAELP C[C@H]1CC[N@H+](Cc2ccco2)C[C@H]1[NH3+] 251685281 344865887 /nfs/dbraw/zinc/86/58/87/344865887.db2.gz MTDFPJZJAZXJTK-GXSJLCMTSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@H]1CC[N@@H+](Cc2ccco2)C[C@H]1[NH3+] 251685281 344865889 /nfs/dbraw/zinc/86/58/89/344865889.db2.gz MTDFPJZJAZXJTK-GXSJLCMTSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1CC[N@H+](Cc2ccco2)C[C@H]1[NH3+] 251685283 344866018 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OMTWJMZZZHNBJN-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]1CCC[N@H+]1[C@H]1CCC[NH2+]C1 251809242 344874733 /nfs/dbraw/zinc/87/47/33/344874733.db2.gz OMTWJMZZZHNBJN-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]1CCC[N@H+]([C@H]2CCC[NH2+]C2)C1 251831125 344875645 /nfs/dbraw/zinc/87/56/45/344875645.db2.gz PYWXWABJBFBAEX-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2[NH3+])C1 251829275 344875697 /nfs/dbraw/zinc/87/56/97/344875697.db2.gz PVPNSXWDQFWJOM-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2[NH3+])C1 251829275 344875698 /nfs/dbraw/zinc/87/56/98/344875698.db2.gz PVPNSXWDQFWJOM-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)[C@@H](C)C[N@@H+]1CC[NH2+]C[C@H](C)C1 251833443 344875723 /nfs/dbraw/zinc/87/57/23/344875723.db2.gz PTZGAXUZKLDZNY-RYUDHWBXSA-N 2 2 198.354 1.820 10 0 ADAELP CC(C)[C@@H](C)C[N@H+]1CC[NH2+]C[C@H](C)C1 251833443 344875725 /nfs/dbraw/zinc/87/57/25/344875725.db2.gz PTZGAXUZKLDZNY-RYUDHWBXSA-N 2 2 198.354 1.820 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH3+])C1 251829272 344875965 /nfs/dbraw/zinc/87/59/65/344875965.db2.gz PVPNSXWDQFWJOM-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@H]1CCC[N@@H+]([C@H]2CCC[NH2+]C2)C1 251831124 344875782 /nfs/dbraw/zinc/87/57/82/344875782.db2.gz PYWXWABJBFBAEX-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1CCC[N@H+]([C@H]2CCC[NH2+]C2)C1 251831124 344875783 /nfs/dbraw/zinc/87/57/83/344875783.db2.gz PYWXWABJBFBAEX-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 251843651 344875801 /nfs/dbraw/zinc/87/58/01/344875801.db2.gz LWASIZRNPALBFS-NEPJUHHUSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH+]2CCC[C@H]2C1 251843651 344875803 /nfs/dbraw/zinc/87/58/03/344875803.db2.gz LWASIZRNPALBFS-NEPJUHHUSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@@H](C)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 251843651 344875805 /nfs/dbraw/zinc/87/58/05/344875805.db2.gz LWASIZRNPALBFS-NEPJUHHUSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@@H](C)[NH+]1CCC[N@H+]2CCC[C@H]2C1 251843651 344875808 /nfs/dbraw/zinc/87/58/08/344875808.db2.gz LWASIZRNPALBFS-NEPJUHHUSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2[NH3+])C1 251829269 344875929 /nfs/dbraw/zinc/87/59/29/344875929.db2.gz PVPNSXWDQFWJOM-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2[NH3+])C1 251829269 344875931 /nfs/dbraw/zinc/87/59/31/344875931.db2.gz PVPNSXWDQFWJOM-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH3+])C1 251829272 344875963 /nfs/dbraw/zinc/87/59/63/344875963.db2.gz PVPNSXWDQFWJOM-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1C[NH2+]C[C@H]1C 251850405 344876454 /nfs/dbraw/zinc/87/64/54/344876454.db2.gz RJNSFTGELDSTKC-GRYCIOLGSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1C[NH2+]C[C@H]1C 251850405 344876457 /nfs/dbraw/zinc/87/64/57/344876457.db2.gz RJNSFTGELDSTKC-GRYCIOLGSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@H](C)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 251843653 344876534 /nfs/dbraw/zinc/87/65/34/344876534.db2.gz LWASIZRNPALBFS-RYUDHWBXSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@H](C)[NH+]1CCC[N@H+]2CCC[C@H]2C1 251843653 344876536 /nfs/dbraw/zinc/87/65/36/344876536.db2.gz LWASIZRNPALBFS-RYUDHWBXSA-N 2 2 196.338 1.955 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@H]1C[NH2+]C[C@H]1C 251850410 344876732 /nfs/dbraw/zinc/87/67/32/344876732.db2.gz RJNSFTGELDSTKC-WOPDTQHZSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@H]1C[NH2+]C[C@H]1C 251850410 344876734 /nfs/dbraw/zinc/87/67/34/344876734.db2.gz RJNSFTGELDSTKC-WOPDTQHZSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@H]1C[NH2+]C[C@@H]1C 251850408 344876744 /nfs/dbraw/zinc/87/67/44/344876744.db2.gz RJNSFTGELDSTKC-SRVKXCTJSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@H]1C[NH2+]C[C@@H]1C 251850408 344876746 /nfs/dbraw/zinc/87/67/46/344876746.db2.gz RJNSFTGELDSTKC-SRVKXCTJSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC[C@H]1C 251856331 344876994 /nfs/dbraw/zinc/87/69/94/344876994.db2.gz SHASUESZAKSUPK-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CCC[C@H]1C 251856331 344876996 /nfs/dbraw/zinc/87/69/96/344876996.db2.gz SHASUESZAKSUPK-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@H]1C 251856327 344877250 /nfs/dbraw/zinc/87/72/50/344877250.db2.gz SHASUESZAKSUPK-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@H]1C 251856327 344877253 /nfs/dbraw/zinc/87/72/53/344877253.db2.gz SHASUESZAKSUPK-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2CC2(C)C)CCC[NH2+]1 251885341 344878795 /nfs/dbraw/zinc/87/87/95/344878795.db2.gz VDFIXELLMQUZBN-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+]([C@H]2CC2(C)C)CCC[NH2+]1 251885341 344878797 /nfs/dbraw/zinc/87/87/97/344878797.db2.gz VDFIXELLMQUZBN-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+]([C@H]2CC2(C)C)CCC[NH2+]1 251885340 344878863 /nfs/dbraw/zinc/87/88/63/344878863.db2.gz VDFIXELLMQUZBN-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[N@H+]([C@H](C)CC)CCC[NH2+]1 251890836 344878897 /nfs/dbraw/zinc/87/88/97/344878897.db2.gz VZVYHEWHGHOQSB-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1C[N@@H+]([C@H](C)CC)CCC[NH2+]1 251890836 344878899 /nfs/dbraw/zinc/87/88/99/344878899.db2.gz VZVYHEWHGHOQSB-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H](C)[C@@H](C)[NH3+] 251929517 344880550 /nfs/dbraw/zinc/88/05/50/344880550.db2.gz ZCKGALFJSIJNHZ-OPRDCNLKSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H](C)[C@@H](C)[NH3+] 251929517 344880552 /nfs/dbraw/zinc/88/05/52/344880552.db2.gz ZCKGALFJSIJNHZ-OPRDCNLKSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1C[NH2+]CC[C@H]1C 251928154 344880567 /nfs/dbraw/zinc/88/05/67/344880567.db2.gz QXCWRYOLFNORBS-OUAUKWLOSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1C[NH2+]CC[C@H]1C 251928154 344880569 /nfs/dbraw/zinc/88/05/69/344880569.db2.gz QXCWRYOLFNORBS-OUAUKWLOSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH2+]C[C@H]1C 251925462 344880749 /nfs/dbraw/zinc/88/07/49/344880749.db2.gz QPNHEXXKQKXMJZ-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH2+]C[C@H]1C 251925462 344880750 /nfs/dbraw/zinc/88/07/50/344880750.db2.gz QPNHEXXKQKXMJZ-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH2+]C[C@H]1C 251925460 344880777 /nfs/dbraw/zinc/88/07/77/344880777.db2.gz QPNHEXXKQKXMJZ-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH2+]C[C@H]1C 251925460 344880780 /nfs/dbraw/zinc/88/07/80/344880780.db2.gz QPNHEXXKQKXMJZ-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H](C)[C@H](C)[NH3+] 251929515 344880797 /nfs/dbraw/zinc/88/07/97/344880797.db2.gz ZCKGALFJSIJNHZ-IVZWLZJFSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H](C)[C@H](C)[NH3+] 251929515 344880799 /nfs/dbraw/zinc/88/07/99/344880799.db2.gz ZCKGALFJSIJNHZ-IVZWLZJFSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@H](C)[NH3+] 251929516 344880805 /nfs/dbraw/zinc/88/08/05/344880805.db2.gz ZCKGALFJSIJNHZ-LPEHRKFASA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@H](C)[NH3+] 251929516 344880807 /nfs/dbraw/zinc/88/08/07/344880807.db2.gz ZCKGALFJSIJNHZ-LPEHRKFASA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1C[NH2+]CC[C@H]1C 251928156 344880904 /nfs/dbraw/zinc/88/09/04/344880904.db2.gz QXCWRYOLFNORBS-VWYCJHECSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1C[NH2+]CC[C@H]1C 251928156 344880907 /nfs/dbraw/zinc/88/09/07/344880907.db2.gz QXCWRYOLFNORBS-VWYCJHECSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1C[NH2+]C[C@@H]1C 251937685 344881199 /nfs/dbraw/zinc/88/11/99/344881199.db2.gz ZWYQFPBBCIYKMR-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1C[NH2+]C[C@@H]1C 251937685 344881204 /nfs/dbraw/zinc/88/12/04/344881204.db2.gz ZWYQFPBBCIYKMR-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1C[NH2+]C[C@H]1C 251937692 344881230 /nfs/dbraw/zinc/88/12/30/344881230.db2.gz ZWYQFPBBCIYKMR-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 251938664 344881255 /nfs/dbraw/zinc/88/12/55/344881255.db2.gz SGINDUQKMTXHAT-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@H+]1CC[NH2+][C@H](C)CC1 251938664 344881257 /nfs/dbraw/zinc/88/12/57/344881257.db2.gz SGINDUQKMTXHAT-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1C[C@H](C)CC[C@@H]1C 251940327 344881364 /nfs/dbraw/zinc/88/13/64/344881364.db2.gz VZKDGCPPTUIKGX-VPOLOUISSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1C[C@H](C)CC[C@@H]1C 251940327 344881366 /nfs/dbraw/zinc/88/13/66/344881366.db2.gz VZKDGCPPTUIKGX-VPOLOUISSA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@H]1CCCC[NH2+]C1 251940535 344881371 /nfs/dbraw/zinc/88/13/71/344881371.db2.gz SKFRCEDTPWDOSM-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@H]1CCCC[NH2+]C1 251940535 344881375 /nfs/dbraw/zinc/88/13/75/344881375.db2.gz SKFRCEDTPWDOSM-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1C[NH2+]C[C@H]1C 251937689 344881381 /nfs/dbraw/zinc/88/13/81/344881381.db2.gz ZWYQFPBBCIYKMR-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1C[NH2+]C[C@H]1C 251937689 344881383 /nfs/dbraw/zinc/88/13/83/344881383.db2.gz ZWYQFPBBCIYKMR-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1CCCC[NH2+]C1 251940536 344881592 /nfs/dbraw/zinc/88/15/92/344881592.db2.gz SKFRCEDTPWDOSM-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1CCCC[NH2+]C1 251940536 344881594 /nfs/dbraw/zinc/88/15/94/344881594.db2.gz SKFRCEDTPWDOSM-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1[C@H](C)[C@@H](C)[NH3+] 251940323 344881644 /nfs/dbraw/zinc/88/16/44/344881644.db2.gz VZKDGCPPTUIKGX-LMLFDSFASA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@H](C)[C@@H](C)[NH3+] 251940323 344881646 /nfs/dbraw/zinc/88/16/46/344881646.db2.gz VZKDGCPPTUIKGX-LMLFDSFASA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[NH2+][C@H](C)CC1 251938662 344881753 /nfs/dbraw/zinc/88/17/53/344881753.db2.gz SGINDUQKMTXHAT-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[NH2+][C@H](C)CC1 251938662 344881755 /nfs/dbraw/zinc/88/17/55/344881755.db2.gz SGINDUQKMTXHAT-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[NH2+][C@H](C)CC1 251947116 344881996 /nfs/dbraw/zinc/88/19/96/344881996.db2.gz TXSKPLAIVIJRIZ-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[NH2+][C@H](C)CC1 251947116 344881997 /nfs/dbraw/zinc/88/19/97/344881997.db2.gz TXSKPLAIVIJRIZ-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[N@@H+]1CC[NH2+][C@H](C)CC1 251947115 344882019 /nfs/dbraw/zinc/88/20/19/344882019.db2.gz TXSKPLAIVIJRIZ-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[N@H+]1CC[NH2+][C@H](C)CC1 251947115 344882021 /nfs/dbraw/zinc/88/20/21/344882021.db2.gz TXSKPLAIVIJRIZ-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[NH2+]CC[C@H]1C 252029617 344883174 /nfs/dbraw/zinc/88/31/74/344883174.db2.gz ZAASSNUODYSCGB-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[NH2+]CC[C@H]1C 252029617 344883175 /nfs/dbraw/zinc/88/31/75/344883175.db2.gz ZAASSNUODYSCGB-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 252018518 344883201 /nfs/dbraw/zinc/88/32/01/344883201.db2.gz WZHYQBBXKPUNKE-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)C[N@H+]1C[C@H]([NH3+])CC[C@H]1C 252018518 344883202 /nfs/dbraw/zinc/88/32/02/344883202.db2.gz WZHYQBBXKPUNKE-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H](C)C[N@@H+]1CC[NH2+]CC[C@H]1C 252029616 344883423 /nfs/dbraw/zinc/88/34/23/344883423.db2.gz ZAASSNUODYSCGB-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[N@H+]1CC[NH2+]CC[C@H]1C 252029616 344883426 /nfs/dbraw/zinc/88/34/26/344883426.db2.gz ZAASSNUODYSCGB-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 252018517 344883578 /nfs/dbraw/zinc/88/35/78/344883578.db2.gz WZHYQBBXKPUNKE-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 252087990 344884108 /nfs/dbraw/zinc/88/41/08/344884108.db2.gz DCWRTTFRMPBTAS-GMTAPVOTSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 252087990 344884110 /nfs/dbraw/zinc/88/41/10/344884110.db2.gz DCWRTTFRMPBTAS-GMTAPVOTSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCCC[C@H]1C 252098884 344884642 /nfs/dbraw/zinc/88/46/42/344884642.db2.gz FWWOQKBJYYPGJB-VWYCJHECSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCCC[C@H]1C 252098884 344884644 /nfs/dbraw/zinc/88/46/44/344884644.db2.gz FWWOQKBJYYPGJB-VWYCJHECSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCCC[C@H]1C 252098883 344884655 /nfs/dbraw/zinc/88/46/55/344884655.db2.gz FWWOQKBJYYPGJB-OUAUKWLOSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCCC[C@H]1C 252098883 344884657 /nfs/dbraw/zinc/88/46/57/344884657.db2.gz FWWOQKBJYYPGJB-OUAUKWLOSA-N 2 2 184.327 1.987 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCCCC[C@H]1C 252104825 344885081 /nfs/dbraw/zinc/88/50/81/344885081.db2.gz GVCMVHMQKAMIEH-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCCCC[C@H]1C 252104825 344885083 /nfs/dbraw/zinc/88/50/83/344885083.db2.gz GVCMVHMQKAMIEH-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC[C@H]1C 252108151 344885159 /nfs/dbraw/zinc/88/51/59/344885159.db2.gz HJCAWSCEXVFFAK-UTLUCORTSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCC[C@H]1C 252108151 344885162 /nfs/dbraw/zinc/88/51/62/344885162.db2.gz HJCAWSCEXVFFAK-UTLUCORTSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCC[C@H]1C 252108149 344885231 /nfs/dbraw/zinc/88/52/31/344885231.db2.gz HJCAWSCEXVFFAK-KXUCPTDWSA-N 2 2 170.300 1.597 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 252109394 344885255 /nfs/dbraw/zinc/88/52/55/344885255.db2.gz JIMRALQTINZGHZ-GMTAPVOTSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 252109394 344885258 /nfs/dbraw/zinc/88/52/58/344885258.db2.gz JIMRALQTINZGHZ-GMTAPVOTSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 252109395 344885374 /nfs/dbraw/zinc/88/53/74/344885374.db2.gz JIMRALQTINZGHZ-MXWKQRLJSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 252109395 344885376 /nfs/dbraw/zinc/88/53/76/344885376.db2.gz JIMRALQTINZGHZ-MXWKQRLJSA-N 2 2 184.327 1.700 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)CC1 252105672 344885444 /nfs/dbraw/zinc/88/54/44/344885444.db2.gz GYRZQDHWVDKAFX-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)CC1 252105672 344885446 /nfs/dbraw/zinc/88/54/46/344885446.db2.gz GYRZQDHWVDKAFX-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H]2[NH3+])C1 252112404 344885893 /nfs/dbraw/zinc/88/58/93/344885893.db2.gz HYKPGDCXQSRTAJ-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H]2[NH3+])C1 252112404 344885890 /nfs/dbraw/zinc/88/58/90/344885890.db2.gz HYKPGDCXQSRTAJ-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2[NH3+])C1 252112400 344885904 /nfs/dbraw/zinc/88/59/04/344885904.db2.gz HYKPGDCXQSRTAJ-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2[NH3+])C1 252112400 344885906 /nfs/dbraw/zinc/88/59/06/344885906.db2.gz HYKPGDCXQSRTAJ-GMTAPVOTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H]2[NH3+])C1 252112402 344886059 /nfs/dbraw/zinc/88/60/59/344886059.db2.gz HYKPGDCXQSRTAJ-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@H]2CCC[C@H]2[NH3+])C1 252112402 344886060 /nfs/dbraw/zinc/88/60/60/344886060.db2.gz HYKPGDCXQSRTAJ-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@H]1C[NH+]2CCC1CC2 252122375 344886366 /nfs/dbraw/zinc/88/63/66/344886366.db2.gz KYWKQUCVCZXYGL-IEBDPFPHSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 252119798 344886538 /nfs/dbraw/zinc/88/65/38/344886538.db2.gz KQYBURLQDCWWJD-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@H]2CCC[NH2+]C2)CC1 252123273 344886387 /nfs/dbraw/zinc/88/63/87/344886387.db2.gz JRCDGGOXFYAJDF-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@H]2CCC[NH2+]C2)CC1 252123273 344886389 /nfs/dbraw/zinc/88/63/89/344886389.db2.gz JRCDGGOXFYAJDF-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 252119798 344886541 /nfs/dbraw/zinc/88/65/41/344886541.db2.gz KQYBURLQDCWWJD-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@H]2CCC[NH2+]C2)CC1 252123274 344886650 /nfs/dbraw/zinc/88/66/50/344886650.db2.gz JRCDGGOXFYAJDF-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[N@H+]([C@H]2CCC[NH2+]C2)CC1 252123274 344886651 /nfs/dbraw/zinc/88/66/51/344886651.db2.gz JRCDGGOXFYAJDF-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 252119797 344886675 /nfs/dbraw/zinc/88/66/75/344886675.db2.gz KQYBURLQDCWWJD-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 252119797 344886677 /nfs/dbraw/zinc/88/66/77/344886677.db2.gz KQYBURLQDCWWJD-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[NH+]2CCC1CC2 252122376 344886788 /nfs/dbraw/zinc/88/67/88/344886788.db2.gz KYWKQUCVCZXYGL-MIMYLULJSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@H]2CCCC[NH2+]C2)C1 252134358 344887094 /nfs/dbraw/zinc/88/70/94/344887094.db2.gz LHABYFXLARSQEF-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H]1CCC[N@H+]([C@H]2CCCC[NH2+]C2)C1 252134358 344887096 /nfs/dbraw/zinc/88/70/96/344887096.db2.gz LHABYFXLARSQEF-RYUDHWBXSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+](C)[C@H]1CCC[NH2+]C1 252132141 344887130 /nfs/dbraw/zinc/88/71/30/344887130.db2.gz KZHMYUBSXUWBAV-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+](C)[C@H]1CCC[NH2+]C1 252132141 344887133 /nfs/dbraw/zinc/88/71/33/344887133.db2.gz KZHMYUBSXUWBAV-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@H]2CCCC[NH2+]C2)C1 252134356 344887148 /nfs/dbraw/zinc/88/71/48/344887148.db2.gz LHABYFXLARSQEF-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@H]2CCCC[NH2+]C2)C1 252134356 344887151 /nfs/dbraw/zinc/88/71/51/344887151.db2.gz LHABYFXLARSQEF-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@H+](C)[C@H]1CCC[NH2+]C1 252132140 344887237 /nfs/dbraw/zinc/88/72/37/344887237.db2.gz KZHMYUBSXUWBAV-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@@H+](C)[C@H]1CCC[NH2+]C1 252132140 344887238 /nfs/dbraw/zinc/88/72/38/344887238.db2.gz KZHMYUBSXUWBAV-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)[C@@H]1C 252140590 344887861 /nfs/dbraw/zinc/88/78/61/344887861.db2.gz MFJFDBSYTJHYAV-AXFHLTTASA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CCC[C@H]1C 252154985 344888306 /nfs/dbraw/zinc/88/83/06/344888306.db2.gz NCXSMFGGOCLJGU-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@H+]1CCC[C@H]1C 252154985 344888307 /nfs/dbraw/zinc/88/83/07/344888307.db2.gz NCXSMFGGOCLJGU-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC[C@H]1C 252154984 344888495 /nfs/dbraw/zinc/88/84/95/344888495.db2.gz NCXSMFGGOCLJGU-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CCC[C@H]1C 252154984 344888498 /nfs/dbraw/zinc/88/84/98/344888498.db2.gz NCXSMFGGOCLJGU-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP CC(C)[N@H+](C)[C@H]1C[C@H](C)CC[C@H]1[NH3+] 252161505 344888777 /nfs/dbraw/zinc/88/87/77/344888777.db2.gz PXHCGVLYKKBCTC-MXWKQRLJSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@H]1[NH3+] 252161505 344888779 /nfs/dbraw/zinc/88/87/79/344888779.db2.gz PXHCGVLYKKBCTC-MXWKQRLJSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[N@H+](C)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 252161508 344888832 /nfs/dbraw/zinc/88/88/32/344888832.db2.gz PXHCGVLYKKBCTC-VWYCJHECSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[N@@H+](C)[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 252161508 344888835 /nfs/dbraw/zinc/88/88/35/344888835.db2.gz PXHCGVLYKKBCTC-VWYCJHECSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)C[N@@H+]1C 252162854 344889042 /nfs/dbraw/zinc/88/90/42/344889042.db2.gz QBAKKGMWQIWYLF-BBBLOLIVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)C[N@H+]1C 252162854 344889046 /nfs/dbraw/zinc/88/90/46/344889046.db2.gz QBAKKGMWQIWYLF-BBBLOLIVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)C[N@@H+]1C 252162855 344889149 /nfs/dbraw/zinc/88/91/49/344889149.db2.gz QBAKKGMWQIWYLF-UTLUCORTSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)C[N@H+]1C 252162855 344889151 /nfs/dbraw/zinc/88/91/51/344889151.db2.gz QBAKKGMWQIWYLF-UTLUCORTSA-N 2 2 182.311 1.467 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2C[C@@H]2C)C1 252175726 344889360 /nfs/dbraw/zinc/88/93/60/344889360.db2.gz RYZDWVZHLXPXTO-AEJSXWLSSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C 252175718 344889399 /nfs/dbraw/zinc/88/93/99/344889399.db2.gz RYVXOBSTCCDJOX-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C 252175718 344889401 /nfs/dbraw/zinc/88/94/01/344889401.db2.gz RYVXOBSTCCDJOX-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]1[NH3+] 252174048 344889449 /nfs/dbraw/zinc/88/94/49/344889449.db2.gz OPAZRKVSYZFIRL-UTLUCORTSA-N 2 2 168.284 1.351 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C 252175719 344889515 /nfs/dbraw/zinc/88/95/15/344889515.db2.gz RYVXOBSTCCDJOX-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C 252175719 344889519 /nfs/dbraw/zinc/88/95/19/344889519.db2.gz RYVXOBSTCCDJOX-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H]1CCC[C@H]1[NH3+] 252174046 344889581 /nfs/dbraw/zinc/88/95/81/344889581.db2.gz OPAZRKVSYZFIRL-BBBLOLIVSA-N 2 2 168.284 1.351 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1[NH3+] 252174046 344889582 /nfs/dbraw/zinc/88/95/82/344889582.db2.gz OPAZRKVSYZFIRL-BBBLOLIVSA-N 2 2 168.284 1.351 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 252174047 344889720 /nfs/dbraw/zinc/88/97/20/344889720.db2.gz OPAZRKVSYZFIRL-OPRDCNLKSA-N 2 2 168.284 1.351 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 252174047 344889723 /nfs/dbraw/zinc/88/97/23/344889723.db2.gz OPAZRKVSYZFIRL-OPRDCNLKSA-N 2 2 168.284 1.351 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2C[C@H]2C)C1 252175727 344889771 /nfs/dbraw/zinc/88/97/71/344889771.db2.gz RYZDWVZHLXPXTO-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@H]2C[C@H]2C)C1 252175727 344889774 /nfs/dbraw/zinc/88/97/74/344889774.db2.gz RYZDWVZHLXPXTO-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 252182793 344890035 /nfs/dbraw/zinc/89/00/35/344890035.db2.gz TWJOKYWMGUSAAK-IMSYWVGJSA-N 2 2 168.284 1.077 10 0 ADAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C[C@H]2C)C1 252175728 344889920 /nfs/dbraw/zinc/88/99/20/344889920.db2.gz RYZDWVZHLXPXTO-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2C[C@H]2C)C1 252175728 344889924 /nfs/dbraw/zinc/88/99/24/344889924.db2.gz RYZDWVZHLXPXTO-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 252182793 344890039 /nfs/dbraw/zinc/89/00/39/344890039.db2.gz TWJOKYWMGUSAAK-IMSYWVGJSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)C[N@H+]1C 252182794 344890171 /nfs/dbraw/zinc/89/01/71/344890171.db2.gz TWJOKYWMGUSAAK-KATARQTJSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)C[N@@H+]1C 252182794 344890173 /nfs/dbraw/zinc/89/01/73/344890173.db2.gz TWJOKYWMGUSAAK-KATARQTJSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 252178841 344890214 /nfs/dbraw/zinc/89/02/14/344890214.db2.gz PORPPFLWVQZUOQ-WRWGMCAJSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 252178841 344890216 /nfs/dbraw/zinc/89/02/16/344890216.db2.gz PORPPFLWVQZUOQ-WRWGMCAJSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2[NH3+])[C@@H]1C 252178837 344890303 /nfs/dbraw/zinc/89/03/03/344890303.db2.gz PORPPFLWVQZUOQ-DDHJBXDOSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2[NH3+])[C@@H]1C 252178837 344890305 /nfs/dbraw/zinc/89/03/05/344890305.db2.gz PORPPFLWVQZUOQ-DDHJBXDOSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 252178839 344890321 /nfs/dbraw/zinc/89/03/21/344890321.db2.gz PORPPFLWVQZUOQ-NOOOWODRSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 252178839 344890323 /nfs/dbraw/zinc/89/03/23/344890323.db2.gz PORPPFLWVQZUOQ-NOOOWODRSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCCCC[N@@H+]1[C@H]1CC[NH2+]C1 252184616 344890724 /nfs/dbraw/zinc/89/07/24/344890724.db2.gz QPGOLUDIDQKBCP-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CCCCC[N@H+]1[C@H]1CC[NH2+]C1 252184616 344890725 /nfs/dbraw/zinc/89/07/25/344890725.db2.gz QPGOLUDIDQKBCP-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H]1CCCC[C@H]1[NH3+] 252202506 344891540 /nfs/dbraw/zinc/89/15/40/344891540.db2.gz UKKNHMIJOZZAGT-MXWKQRLJSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@H]1[NH3+] 252202506 344891542 /nfs/dbraw/zinc/89/15/42/344891542.db2.gz UKKNHMIJOZZAGT-MXWKQRLJSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H]1CCCC[C@@H]1[NH3+] 252202507 344891762 /nfs/dbraw/zinc/89/17/62/344891762.db2.gz UKKNHMIJOZZAGT-VWYCJHECSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H]1CCCC[C@@H]1[NH3+] 252202507 344891763 /nfs/dbraw/zinc/89/17/63/344891763.db2.gz UKKNHMIJOZZAGT-VWYCJHECSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)[NH3+])[C@H](C)C1 252205734 344892189 /nfs/dbraw/zinc/89/21/89/344892189.db2.gz VBZKYMDZJPCJKO-GWOFURMSSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)[NH3+])[C@H](C)C1 252205734 344892192 /nfs/dbraw/zinc/89/21/92/344892192.db2.gz VBZKYMDZJPCJKO-GWOFURMSSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@H]1C 252205733 344892319 /nfs/dbraw/zinc/89/23/19/344892319.db2.gz VBZKYMDZJPCJKO-CHWFTXMASA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CC[C@@H](C)C[C@H]1C 252205733 344892320 /nfs/dbraw/zinc/89/23/20/344892320.db2.gz VBZKYMDZJPCJKO-CHWFTXMASA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@@H+]1CC(C)(C)[NH3+] 252211518 344892581 /nfs/dbraw/zinc/89/25/81/344892581.db2.gz WLOWKUVEJXYGPJ-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@H+]1CC(C)(C)[NH3+] 252211518 344892584 /nfs/dbraw/zinc/89/25/84/344892584.db2.gz WLOWKUVEJXYGPJ-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+]([C@H](C)C2CC2)C1 252211451 344892757 /nfs/dbraw/zinc/89/27/57/344892757.db2.gz YFKZFTPHSMHKDK-KKZNHRDASA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+]([C@H](C)C2CC2)C1 252211451 344892759 /nfs/dbraw/zinc/89/27/59/344892759.db2.gz YFKZFTPHSMHKDK-KKZNHRDASA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@H](C)[C@H]1C 252214805 344892813 /nfs/dbraw/zinc/89/28/13/344892813.db2.gz XIZDBLYEEWUSRJ-MMWGEVLESA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@H](C)[C@H]1C 252214805 344892815 /nfs/dbraw/zinc/89/28/15/344892815.db2.gz XIZDBLYEEWUSRJ-MMWGEVLESA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])[C@H]1C 252211516 344892843 /nfs/dbraw/zinc/89/28/43/344892843.db2.gz WLOWKUVEJXYGPJ-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])[C@H]1C 252211516 344892847 /nfs/dbraw/zinc/89/28/47/344892847.db2.gz WLOWKUVEJXYGPJ-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+]([C@H](C)C2CC2)C1 252211449 344892863 /nfs/dbraw/zinc/89/28/63/344892863.db2.gz YFKZFTPHSMHKDK-FXPVBKGRSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]([C@H](C)C2CC2)C1 252211449 344892865 /nfs/dbraw/zinc/89/28/65/344892865.db2.gz YFKZFTPHSMHKDK-FXPVBKGRSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@@H](C)[C@H]1C 252214807 344892906 /nfs/dbraw/zinc/89/29/06/344892906.db2.gz XIZDBLYEEWUSRJ-YTWAJWBKSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@@H](C)[C@H]1C 252214807 344892909 /nfs/dbraw/zinc/89/29/09/344892909.db2.gz XIZDBLYEEWUSRJ-YTWAJWBKSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@H](C)[C@@H]1C 252214806 344892953 /nfs/dbraw/zinc/89/29/53/344892953.db2.gz XIZDBLYEEWUSRJ-NAKRPEOUSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C 252214806 344892956 /nfs/dbraw/zinc/89/29/56/344892956.db2.gz XIZDBLYEEWUSRJ-NAKRPEOUSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H]2CCC[C@H]2[NH3+])C1 252217111 344893212 /nfs/dbraw/zinc/89/32/12/344893212.db2.gz ZLMVYIKGWDUCJI-WRWGMCAJSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CCC[C@H]2[NH3+])C1 252217111 344893214 /nfs/dbraw/zinc/89/32/14/344893214.db2.gz ZLMVYIKGWDUCJI-WRWGMCAJSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)C(N)=[NH2+])[C@H](C)C1 252218400 344893438 /nfs/dbraw/zinc/89/34/38/344893438.db2.gz YIPNEXDVUQRSEZ-IWSPIJDZSA-N 2 2 183.299 1.431 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)C(N)=[NH2+])[C@H](C)C1 252218400 344893440 /nfs/dbraw/zinc/89/34/40/344893440.db2.gz YIPNEXDVUQRSEZ-IWSPIJDZSA-N 2 2 183.299 1.431 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]([C@H]2CCC[C@H]2[NH3+])C1 252217109 344893463 /nfs/dbraw/zinc/89/34/63/344893463.db2.gz ZLMVYIKGWDUCJI-KXNHARMFSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]([C@H]2CCC[C@H]2[NH3+])C1 252217109 344893465 /nfs/dbraw/zinc/89/34/65/344893465.db2.gz ZLMVYIKGWDUCJI-KXNHARMFSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]([C@H]2CCC[C@@H]2[NH3+])C1 252217110 344893490 /nfs/dbraw/zinc/89/34/90/344893490.db2.gz ZLMVYIKGWDUCJI-USZNOCQGSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]([C@H]2CCC[C@@H]2[NH3+])C1 252217110 344893491 /nfs/dbraw/zinc/89/34/91/344893491.db2.gz ZLMVYIKGWDUCJI-USZNOCQGSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@H+](C)[C@H]1CC[NH2+]C1 252220466 344893704 /nfs/dbraw/zinc/89/37/04/344893704.db2.gz YWWUJZHVZUXQTA-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@@H+](C)[C@H]1CC[NH2+]C1 252220466 344893707 /nfs/dbraw/zinc/89/37/07/344893707.db2.gz YWWUJZHVZUXQTA-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+](C)[C@H]1CC[NH2+]C1 252220467 344893785 /nfs/dbraw/zinc/89/37/85/344893785.db2.gz YWWUJZHVZUXQTA-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+](C)[C@H]1CC[NH2+]C1 252220467 344893788 /nfs/dbraw/zinc/89/37/88/344893788.db2.gz YWWUJZHVZUXQTA-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1C 252221303 344893829 /nfs/dbraw/zinc/89/38/29/344893829.db2.gz ZBZYQOGUEIJSJX-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)[C@H]([NH3+])C[N@H+]1CCCC[C@H]1C 252221303 344893831 /nfs/dbraw/zinc/89/38/31/344893831.db2.gz ZBZYQOGUEIJSJX-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCC[C@H]2C)C1 252419059 344894833 /nfs/dbraw/zinc/89/48/33/344894833.db2.gz XXNDLHCXDHKSKF-WISYIIOYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCC[C@H]2C)C1 252419059 344894834 /nfs/dbraw/zinc/89/48/34/344894834.db2.gz XXNDLHCXDHKSKF-WISYIIOYSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252407485 344894866 /nfs/dbraw/zinc/89/48/66/344894866.db2.gz HLCXPIJWMJJPLJ-DCAQKATOSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+]2CCC[C@H]2C)C1 252419062 344895119 /nfs/dbraw/zinc/89/51/19/344895119.db2.gz XXNDLHCXDHKSKF-WYUUTHIRSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[N@@H+]1[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 252419056 344895160 /nfs/dbraw/zinc/89/51/60/344895160.db2.gz XXNDLHCXDHKSKF-RHYQMDGZSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@H]1C[C@H](C)CC[C@@H]1[NH3+] 252419056 344895163 /nfs/dbraw/zinc/89/51/63/344895163.db2.gz XXNDLHCXDHKSKF-RHYQMDGZSA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1[NH3+] 252407484 344895219 /nfs/dbraw/zinc/89/52/19/344895219.db2.gz HLCXPIJWMJJPLJ-AXFHLTTASA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1[NH3+] 252407484 344895220 /nfs/dbraw/zinc/89/52/20/344895220.db2.gz HLCXPIJWMJJPLJ-AXFHLTTASA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252407486 344895237 /nfs/dbraw/zinc/89/52/37/344895237.db2.gz HLCXPIJWMJJPLJ-HBNTYKKESA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252407486 344895239 /nfs/dbraw/zinc/89/52/39/344895239.db2.gz HLCXPIJWMJJPLJ-HBNTYKKESA-N 2 2 184.327 1.843 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252433857 344895770 /nfs/dbraw/zinc/89/57/70/344895770.db2.gz DLKHHNWMTKEUGG-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] 252433857 344895768 /nfs/dbraw/zinc/89/57/68/344895768.db2.gz DLKHHNWMTKEUGG-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252433859 344895816 /nfs/dbraw/zinc/89/58/16/344895816.db2.gz DLKHHNWMTKEUGG-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] 252433859 344895819 /nfs/dbraw/zinc/89/58/19/344895819.db2.gz DLKHHNWMTKEUGG-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 252433858 344895907 /nfs/dbraw/zinc/89/59/07/344895907.db2.gz DLKHHNWMTKEUGG-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] 252433858 344895910 /nfs/dbraw/zinc/89/59/10/344895910.db2.gz DLKHHNWMTKEUGG-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[N@H+](C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 252435342 344895938 /nfs/dbraw/zinc/89/59/38/344895938.db2.gz JJCBTDFMURFCKN-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CCC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@H]1[NH3+] 252435342 344895939 /nfs/dbraw/zinc/89/59/39/344895939.db2.gz JJCBTDFMURFCKN-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1[NH3+] 252436719 344896260 /nfs/dbraw/zinc/89/62/60/344896260.db2.gz QWSSMXUJRCUHEG-IVZWLZJFSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252436718 344896480 /nfs/dbraw/zinc/89/64/80/344896480.db2.gz QWSSMXUJRCUHEG-GUBZILKMSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1[NH3+] 252436718 344896482 /nfs/dbraw/zinc/89/64/82/344896482.db2.gz QWSSMXUJRCUHEG-GUBZILKMSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1nccs1 252469152 344898482 /nfs/dbraw/zinc/89/84/82/344898482.db2.gz PUTBDKUPVPOLRE-SFYZADRCSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cscn1 252467832 344898513 /nfs/dbraw/zinc/89/85/13/344898513.db2.gz CCRFCBHXDOVBAC-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cscn1 252467832 344898514 /nfs/dbraw/zinc/89/85/14/344898514.db2.gz CCRFCBHXDOVBAC-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1nccs1 252469153 344898550 /nfs/dbraw/zinc/89/85/50/344898550.db2.gz PUTBDKUPVPOLRE-YUMQZZPRSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1nccs1 252469153 344898552 /nfs/dbraw/zinc/89/85/52/344898552.db2.gz PUTBDKUPVPOLRE-YUMQZZPRSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cscn1 252467831 344898562 /nfs/dbraw/zinc/89/85/62/344898562.db2.gz CCRFCBHXDOVBAC-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cscn1 252467831 344898564 /nfs/dbraw/zinc/89/85/64/344898564.db2.gz CCRFCBHXDOVBAC-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[C@H]1C[C@@H](C)C[C@@H]([NH3+])[C@@H]1n1cc[nH+]c1 252471956 344898988 /nfs/dbraw/zinc/89/89/88/344898988.db2.gz LXFPCWLCNOXMEJ-LMLFDSFASA-N 2 2 193.294 1.818 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[NH2+]CC[C@H]1C 252476252 344899396 /nfs/dbraw/zinc/89/93/96/344899396.db2.gz OIQOMMDJXBURGW-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[N@H+]1CC[NH2+]CC[C@H]1C 252476252 344899398 /nfs/dbraw/zinc/89/93/98/344899398.db2.gz OIQOMMDJXBURGW-VHSXEESVSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 252643432 344905662 /nfs/dbraw/zinc/90/56/62/344905662.db2.gz NTHGMVYVABONIO-NAKRPEOUSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 252643434 344905930 /nfs/dbraw/zinc/90/59/30/344905930.db2.gz NTHGMVYVABONIO-ZNSHCXBVSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[NH+]([C@H]2CCC[NH2+]C2)C[C@H]1C 252638979 344905957 /nfs/dbraw/zinc/90/59/57/344905957.db2.gz JIAQNBRJHVHORG-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 252644286 344906103 /nfs/dbraw/zinc/90/61/03/344906103.db2.gz OJINWZZHDRQMRG-IMSYWVGJSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C 252648988 344906183 /nfs/dbraw/zinc/90/61/83/344906183.db2.gz WMOVCJVZDXPASG-LMLFDSFASA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C 252648988 344906185 /nfs/dbraw/zinc/90/61/85/344906185.db2.gz WMOVCJVZDXPASG-LMLFDSFASA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2CCC[C@H]2[NH3+])C[C@H]1C 252648987 344906202 /nfs/dbraw/zinc/90/62/02/344906202.db2.gz WMOVCJVZDXPASG-GWOFURMSSA-N 2 2 182.311 1.454 10 0 ADAELP CC(C)[C@H]([NH3+])C[NH+]1C[C@@H](C)[C@H](C)C1 252647016 344906220 /nfs/dbraw/zinc/90/62/20/344906220.db2.gz SXJBJZLSICVHDK-GMTAPVOTSA-N 2 2 184.327 1.558 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 252644287 344906289 /nfs/dbraw/zinc/90/62/89/344906289.db2.gz OJINWZZHDRQMRG-XKNYDFJKSA-N 2 2 170.300 1.310 10 0 ADAELP CCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 252667600 344907801 /nfs/dbraw/zinc/90/78/01/344907801.db2.gz MCERTJNYLVPEKI-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP CCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 252667600 344907802 /nfs/dbraw/zinc/90/78/02/344907802.db2.gz MCERTJNYLVPEKI-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP CCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 252667600 344907804 /nfs/dbraw/zinc/90/78/04/344907804.db2.gz MCERTJNYLVPEKI-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP CCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 252667600 344907806 /nfs/dbraw/zinc/90/78/06/344907806.db2.gz MCERTJNYLVPEKI-NSHDSACASA-N 2 2 182.311 1.567 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 252715215 344910001 /nfs/dbraw/zinc/91/00/01/344910001.db2.gz UYFYPLKOVXFZMI-DBIOUOCHSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 252715215 344910003 /nfs/dbraw/zinc/91/00/03/344910003.db2.gz UYFYPLKOVXFZMI-DBIOUOCHSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2CCCC[C@H]2C)C1 252720942 344910145 /nfs/dbraw/zinc/91/01/45/344910145.db2.gz MDTALNQUMVRHAL-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]([N@H+]2CCCC[C@H]2C)C1 252720942 344910149 /nfs/dbraw/zinc/91/01/49/344910149.db2.gz MDTALNQUMVRHAL-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]2C)C[N@H+]1C 252715216 344910179 /nfs/dbraw/zinc/91/01/79/344910179.db2.gz UYFYPLKOVXFZMI-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]2C)C[N@@H+]1C 252715216 344910183 /nfs/dbraw/zinc/91/01/83/344910183.db2.gz UYFYPLKOVXFZMI-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]([N@@H+]2CCCC[C@H]2C)C1 252720943 344910238 /nfs/dbraw/zinc/91/02/38/344910238.db2.gz MDTALNQUMVRHAL-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]([N@H+]2CCCC[C@H]2C)C1 252720943 344910240 /nfs/dbraw/zinc/91/02/40/344910240.db2.gz MDTALNQUMVRHAL-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 252745684 344911912 /nfs/dbraw/zinc/91/19/12/344911912.db2.gz PJEUUVHFKNESOU-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 252745684 344911915 /nfs/dbraw/zinc/91/19/15/344911915.db2.gz PJEUUVHFKNESOU-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 252745686 344911962 /nfs/dbraw/zinc/91/19/62/344911962.db2.gz PJEUUVHFKNESOU-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)CC2)C1 252745686 344911964 /nfs/dbraw/zinc/91/19/64/344911964.db2.gz PJEUUVHFKNESOU-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 252800002 344914659 /nfs/dbraw/zinc/91/46/59/344914659.db2.gz VEPRJRQYZGHFHI-YFKTTZPYSA-N 2 2 196.338 1.572 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@H]2C[NH2+]C[C@@H]2C)C1 252851835 344915975 /nfs/dbraw/zinc/91/59/75/344915975.db2.gz IGFLNSBQWCGDTJ-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@H]2C[NH2+]C[C@@H]2C)C1 252851835 344915976 /nfs/dbraw/zinc/91/59/76/344915976.db2.gz IGFLNSBQWCGDTJ-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@H]2C)C1 252851834 344916050 /nfs/dbraw/zinc/91/60/50/344916050.db2.gz IGFLNSBQWCGDTJ-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@H]2C)C1 252851834 344916051 /nfs/dbraw/zinc/91/60/51/344916051.db2.gz IGFLNSBQWCGDTJ-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@H]2C[NH2+]C[C@H]2C)C1 252851836 344916104 /nfs/dbraw/zinc/91/61/04/344916104.db2.gz IGFLNSBQWCGDTJ-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@H]2C[NH2+]C[C@H]2C)C1 252851836 344916107 /nfs/dbraw/zinc/91/61/07/344916107.db2.gz IGFLNSBQWCGDTJ-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@H]2C)C1 252864936 344916504 /nfs/dbraw/zinc/91/65/04/344916504.db2.gz PMECEWLCWODWCW-IJLUTSLNSA-N 2 2 196.338 1.572 10 0 ADAELP CC(C)[C@@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@H]2C)C1 252864936 344916507 /nfs/dbraw/zinc/91/65/07/344916507.db2.gz PMECEWLCWODWCW-IJLUTSLNSA-N 2 2 196.338 1.572 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+]([C@H]2C[NH2+]C[C@@H]2C)C1 252864937 344916535 /nfs/dbraw/zinc/91/65/35/344916535.db2.gz PMECEWLCWODWCW-TUAOUCFPSA-N 2 2 196.338 1.572 10 0 ADAELP CC(C)[C@@H]1CC[N@H+]([C@H]2C[NH2+]C[C@@H]2C)C1 252864937 344916536 /nfs/dbraw/zinc/91/65/36/344916536.db2.gz PMECEWLCWODWCW-TUAOUCFPSA-N 2 2 196.338 1.572 10 0 ADAELP CC(C)[C@@H]1CC[N@@H+]([C@H]2C[NH2+]C[C@H]2C)C1 252864938 344916541 /nfs/dbraw/zinc/91/65/41/344916541.db2.gz PMECEWLCWODWCW-UTUOFQBUSA-N 2 2 196.338 1.572 10 0 ADAELP CC(C)[C@@H]1CC[N@H+]([C@H]2C[NH2+]C[C@H]2C)C1 252864938 344916543 /nfs/dbraw/zinc/91/65/43/344916543.db2.gz PMECEWLCWODWCW-UTUOFQBUSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@@H]2C[NH2+]C[C@H]2C)C1 252859401 344916561 /nfs/dbraw/zinc/91/65/61/344916561.db2.gz MLBUXCKAVGJILA-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@@H]2C[NH2+]C[C@H]2C)C1 252859401 344916564 /nfs/dbraw/zinc/91/65/64/344916564.db2.gz MLBUXCKAVGJILA-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H]2C[NH2+]C[C@@H]2C)C1 252859400 344916617 /nfs/dbraw/zinc/91/66/17/344916617.db2.gz MLBUXCKAVGJILA-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H]2C[NH2+]C[C@@H]2C)C1 252859400 344916620 /nfs/dbraw/zinc/91/66/20/344916620.db2.gz MLBUXCKAVGJILA-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@H]2C[NH2+]C[C@H]2C)C1 252859402 344916763 /nfs/dbraw/zinc/91/67/63/344916763.db2.gz MLBUXCKAVGJILA-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@H]2C[NH2+]C[C@H]2C)C1 252859402 344916766 /nfs/dbraw/zinc/91/67/66/344916766.db2.gz MLBUXCKAVGJILA-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP Cc1ccc([C@@H]2C[C@@H]2[C@H](C)[NH3+])c[nH+]1 252897873 344918369 /nfs/dbraw/zinc/91/83/69/344918369.db2.gz DZBNVXKZSGTZRE-GDPRMGEGSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1ccc([C@@H]2C[C@H]2[C@H](C)[NH3+])c[nH+]1 252897874 344918391 /nfs/dbraw/zinc/91/83/91/344918391.db2.gz DZBNVXKZSGTZRE-LSJOCFKGSA-N 2 2 176.263 1.841 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@H](C)C(C)(C)C)C1 252900319 344918671 /nfs/dbraw/zinc/91/86/71/344918671.db2.gz JASATXYDHXSQPD-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@H](C)C(C)(C)C)C1 252900319 344918673 /nfs/dbraw/zinc/91/86/73/344918673.db2.gz JASATXYDHXSQPD-WDEREUQCSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@@H]1C[N@H+](C[C@H](C)C2CC2)CCC[NH2+]1 252913970 344919207 /nfs/dbraw/zinc/91/92/07/344919207.db2.gz POSUFJHRYIUDFN-WDEREUQCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+]1CC[NH2+][C@H](C)CC1 252967193 344923035 /nfs/dbraw/zinc/92/30/35/344923035.db2.gz UBJNVMQMPHPCLF-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+]1CC[NH2+][C@H](C)CC1 252967193 344923036 /nfs/dbraw/zinc/92/30/36/344923036.db2.gz UBJNVMQMPHPCLF-HBNTYKKESA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@H+](C)[C@H]1CC[NH2+]C1 252965692 344923114 /nfs/dbraw/zinc/92/31/14/344923114.db2.gz XEOFRQRQOIJDNV-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@@H+](C)[C@H]1CC[NH2+]C1 252965692 344923115 /nfs/dbraw/zinc/92/31/15/344923115.db2.gz XEOFRQRQOIJDNV-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)CC[NH2+]1 252967192 344923254 /nfs/dbraw/zinc/92/32/54/344923254.db2.gz UBJNVMQMPHPCLF-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)CC[NH2+]1 252967192 344923256 /nfs/dbraw/zinc/92/32/56/344923256.db2.gz UBJNVMQMPHPCLF-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@H+](C)[C@H]1CC[NH2+]C1 252965693 344923285 /nfs/dbraw/zinc/92/32/85/344923285.db2.gz XEOFRQRQOIJDNV-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCC[C@@H]1[N@@H+](C)[C@H]1CC[NH2+]C1 252965693 344923286 /nfs/dbraw/zinc/92/32/86/344923286.db2.gz XEOFRQRQOIJDNV-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@H+](C1CCC1)[C@@H]1CCCC[C@H]1[NH3+] 252982829 344923798 /nfs/dbraw/zinc/92/37/98/344923798.db2.gz YEJFEKCCGIBEQH-GHMZBOCLSA-N 2 2 182.311 1.741 10 0 ADAELP C[N@@H+](C1CCC1)[C@@H]1CCCC[C@H]1[NH3+] 252982829 344923800 /nfs/dbraw/zinc/92/38/00/344923800.db2.gz YEJFEKCCGIBEQH-GHMZBOCLSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)C2CCC2)CCC[NH2+]1 252980407 344923941 /nfs/dbraw/zinc/92/39/41/344923941.db2.gz MDCXDTVRHMEENX-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+](C1CCC1)[C@H]1CCCC[C@H]1[NH3+] 252982830 344923983 /nfs/dbraw/zinc/92/39/83/344923983.db2.gz YEJFEKCCGIBEQH-MNOVXSKESA-N 2 2 182.311 1.741 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1occc1C 253010875 344924157 /nfs/dbraw/zinc/92/41/57/344924157.db2.gz BZEMAGPJWXDBPV-ZJUUUORDSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1c1occc1C 253010875 344924158 /nfs/dbraw/zinc/92/41/58/344924158.db2.gz BZEMAGPJWXDBPV-ZJUUUORDSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH3+])[C@H]1c1occc1C 253010873 344924288 /nfs/dbraw/zinc/92/42/88/344924288.db2.gz BZEMAGPJWXDBPV-UWVGGRQHSA-N 2 2 194.278 1.682 10 0 ADAELP CC[N@H+]1CC[C@H]([NH3+])[C@H]1c1occc1C 253010873 344924291 /nfs/dbraw/zinc/92/42/91/344924291.db2.gz BZEMAGPJWXDBPV-UWVGGRQHSA-N 2 2 194.278 1.682 10 0 ADAELP C[C@@H](CC1CC1)[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 253038478 344924632 /nfs/dbraw/zinc/92/46/32/344924632.db2.gz ZCICYLDDFRHYIN-JFGNBEQYSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H](CC1CC1)[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 253038478 344924635 /nfs/dbraw/zinc/92/46/35/344924635.db2.gz ZCICYLDDFRHYIN-JFGNBEQYSA-N 2 2 196.338 1.844 10 0 ADAELP 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184.327 1.700 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C)C1 253059969 344925696 /nfs/dbraw/zinc/92/56/96/344925696.db2.gz CSMLEHFHKRXROZ-ZNSHCXBVSA-N 2 2 184.327 1.700 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+]1C[C@@H](C)C[C@H]1C 253071670 344925715 /nfs/dbraw/zinc/92/57/15/344925715.db2.gz NJQNDRYYKHNSIC-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] 253066198 344925725 /nfs/dbraw/zinc/92/57/25/344925725.db2.gz IZCZYKTYJIGFRN-RCWTZXSCSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CCC[C@@H]1[NH3+] 253066198 344925727 /nfs/dbraw/zinc/92/57/27/344925727.db2.gz IZCZYKTYJIGFRN-RCWTZXSCSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCCC[NH2+]1 253065323 344925815 /nfs/dbraw/zinc/92/58/15/344925815.db2.gz IGNMSJNOFGURDZ-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCCC[NH2+]1 253065323 344925817 /nfs/dbraw/zinc/92/58/17/344925817.db2.gz IGNMSJNOFGURDZ-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C)C1 253059967 344925940 /nfs/dbraw/zinc/92/59/40/344925940.db2.gz CSMLEHFHKRXROZ-NAKRPEOUSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 253059967 344925942 /nfs/dbraw/zinc/92/59/42/344925942.db2.gz CSMLEHFHKRXROZ-NAKRPEOUSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H]1C[NH2+]C[C@H]1C 253059409 344925993 /nfs/dbraw/zinc/92/59/93/344925993.db2.gz CHXVJODOLZZMDU-CHWFTXMASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1C[NH2+]C[C@H]1C 253059409 344925994 /nfs/dbraw/zinc/92/59/94/344925994.db2.gz CHXVJODOLZZMDU-CHWFTXMASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)C[C@@H]1C 253059410 344926027 /nfs/dbraw/zinc/92/60/27/344926027.db2.gz CHXVJODOLZZMDU-RCWTZXSCSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)C[C@@H]1C 253059410 344926030 /nfs/dbraw/zinc/92/60/30/344926030.db2.gz CHXVJODOLZZMDU-RCWTZXSCSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1C[NH2+]C[C@H]1C 253059411 344926084 /nfs/dbraw/zinc/92/60/84/344926084.db2.gz CHXVJODOLZZMDU-ZNSHCXBVSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1C[NH2+]C[C@H]1C 253059411 344926088 /nfs/dbraw/zinc/92/60/88/344926088.db2.gz CHXVJODOLZZMDU-ZNSHCXBVSA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@](C)([NH3+])C[N@@H+]1C[C@H](C)C[C@H]1C 253071671 344926110 /nfs/dbraw/zinc/92/61/10/344926110.db2.gz NJQNDRYYKHNSIC-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([NH3+])C[N@H+]1C[C@H](C)C[C@H]1C 253071671 344926112 /nfs/dbraw/zinc/92/61/12/344926112.db2.gz NJQNDRYYKHNSIC-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)C[C@H]1C 253058745 344926118 /nfs/dbraw/zinc/92/61/18/344926118.db2.gz BTFQZZNXNBSANB-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)C[C@H]1C 253058745 344926121 /nfs/dbraw/zinc/92/61/21/344926121.db2.gz BTFQZZNXNBSANB-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@@H](C)C[C@H]1C 253058746 344926133 /nfs/dbraw/zinc/92/61/33/344926133.db2.gz BTFQZZNXNBSANB-QCNOEVLYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@@H](C)C[C@H]1C 253058746 344926136 /nfs/dbraw/zinc/92/61/36/344926136.db2.gz BTFQZZNXNBSANB-QCNOEVLYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CCC[C@H]1[NH3+] 253066199 344926232 /nfs/dbraw/zinc/92/62/32/344926232.db2.gz IZCZYKTYJIGFRN-YTWAJWBKSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CCC[C@H]1[NH3+] 253066199 344926235 /nfs/dbraw/zinc/92/62/35/344926235.db2.gz IZCZYKTYJIGFRN-YTWAJWBKSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H](C)C(N)=[NH2+])CC[C@H]1C 253080492 344926384 /nfs/dbraw/zinc/92/63/84/344926384.db2.gz VNNZKJJZGSVPIC-HLTSFMKQSA-N 2 2 183.299 1.289 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CC[NH2+]C1 253077784 344926393 /nfs/dbraw/zinc/92/63/93/344926393.db2.gz SKBIJUVXNHEPHA-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[NH2+]C1 253077784 344926394 /nfs/dbraw/zinc/92/63/94/344926394.db2.gz SKBIJUVXNHEPHA-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@@H+]([C@H]2CC[NH2+]C2)C1 253077783 344926425 /nfs/dbraw/zinc/92/64/25/344926425.db2.gz SKBIJUVXNHEPHA-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@H+]([C@H]2CC[NH2+]C2)C1 253077783 344926428 /nfs/dbraw/zinc/92/64/28/344926428.db2.gz SKBIJUVXNHEPHA-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1C[C@H](C)C[C@@H]1C 253083329 344926442 /nfs/dbraw/zinc/92/64/42/344926442.db2.gz XVYVZTOTPRQDAF-XFWSIPNHSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1C[C@H](C)C[C@@H]1C 253083329 344926444 /nfs/dbraw/zinc/92/64/44/344926444.db2.gz XVYVZTOTPRQDAF-XFWSIPNHSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H](C)[C@@H](C)[NH3+] 253083328 344926493 /nfs/dbraw/zinc/92/64/93/344926493.db2.gz XVYVZTOTPRQDAF-UTINFBMNSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H](C)[C@@H](C)[NH3+] 253083328 344926495 /nfs/dbraw/zinc/92/64/95/344926495.db2.gz XVYVZTOTPRQDAF-UTINFBMNSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@@H]1C[N@H+]([C@H](C)C(N)=[NH2+])CC[C@H]1C 253080493 344926527 /nfs/dbraw/zinc/92/65/27/344926527.db2.gz VNNZKJJZGSVPIC-IWSPIJDZSA-N 2 2 183.299 1.289 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)C(N)=[NH2+])CC[C@H]1C 253080493 344926529 /nfs/dbraw/zinc/92/65/29/344926529.db2.gz VNNZKJJZGSVPIC-IWSPIJDZSA-N 2 2 183.299 1.289 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)C[C@@H]1C 253083327 344926821 /nfs/dbraw/zinc/92/68/21/344926821.db2.gz XVYVZTOTPRQDAF-KATARQTJSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)C[C@@H]1C 253083327 344926823 /nfs/dbraw/zinc/92/68/23/344926823.db2.gz XVYVZTOTPRQDAF-KATARQTJSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253095106 344927037 /nfs/dbraw/zinc/92/70/37/344927037.db2.gz KGBVGSRWKSKZRC-GWOFURMSSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253095106 344927040 /nfs/dbraw/zinc/92/70/40/344927040.db2.gz KGBVGSRWKSKZRC-GWOFURMSSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253095105 344927064 /nfs/dbraw/zinc/92/70/64/344927064.db2.gz KGBVGSRWKSKZRC-CHWFTXMASA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C 253095105 344927065 /nfs/dbraw/zinc/92/70/65/344927065.db2.gz KGBVGSRWKSKZRC-CHWFTXMASA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)[NH3+])[C@@H]1C 253095107 344927144 /nfs/dbraw/zinc/92/71/44/344927144.db2.gz KGBVGSRWKSKZRC-LMLFDSFASA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)[NH3+])[C@@H]1C 253095107 344927145 /nfs/dbraw/zinc/92/71/45/344927145.db2.gz KGBVGSRWKSKZRC-LMLFDSFASA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C 253095108 344927210 /nfs/dbraw/zinc/92/72/10/344927210.db2.gz KGBVGSRWKSKZRC-VPOLOUISSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C 253095108 344927212 /nfs/dbraw/zinc/92/72/12/344927212.db2.gz KGBVGSRWKSKZRC-VPOLOUISSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CCC[C@@H]1C 253201991 344931511 /nfs/dbraw/zinc/93/15/11/344931511.db2.gz UTIIDGYZMTXFIQ-DCAQKATOSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CCC[C@@H]1C 253201993 344931490 /nfs/dbraw/zinc/93/14/90/344931490.db2.gz UTIIDGYZMTXFIQ-GARJFASQSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CCC[C@@H]1C 253201993 344931491 /nfs/dbraw/zinc/93/14/91/344931491.db2.gz UTIIDGYZMTXFIQ-GARJFASQSA-N 2 2 182.311 1.611 10 0 ADAELP CC[NH+](CC)[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] 253621107 344934947 /nfs/dbraw/zinc/93/49/47/344934947.db2.gz UHAUGOVLKRDWKI-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP 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/nfs/dbraw/zinc/95/89/78/344958978.db2.gz GLQSIJMQWLNVQH-QCNOEVLYSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1C[C@@H]1[NH2+]CC[C@H]1C 299896442 344958997 /nfs/dbraw/zinc/95/89/97/344958997.db2.gz LMLWLKIXCITDEJ-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@@H]1[NH2+]CC[C@H]1C 299896442 344959001 /nfs/dbraw/zinc/95/90/01/344959001.db2.gz LMLWLKIXCITDEJ-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CCC[C@H]1C 299896764 344959091 /nfs/dbraw/zinc/95/90/91/344959091.db2.gz MEALPIJSCDMVCG-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CCC[C@H]1C 299896764 344959093 /nfs/dbraw/zinc/95/90/93/344959093.db2.gz MEALPIJSCDMVCG-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@@H+]1CCC[C@H]1C 299896765 344959123 /nfs/dbraw/zinc/95/91/23/344959123.db2.gz MEALPIJSCDMVCG-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+][C@H]1C[N@H+]1CCC[C@H]1C 299896765 344959125 /nfs/dbraw/zinc/95/91/25/344959125.db2.gz MEALPIJSCDMVCG-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@@H]2[NH2+]CC[C@H]2C)C1 299897202 344959130 /nfs/dbraw/zinc/95/91/30/344959130.db2.gz OWLAKGTZVBNNLH-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@@H]2[NH2+]CC[C@H]2C)C1 299897202 344959133 /nfs/dbraw/zinc/95/91/33/344959133.db2.gz OWLAKGTZVBNNLH-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1C[C@H]1[NH2+]CC[C@H]1C 299896440 344959166 /nfs/dbraw/zinc/95/91/66/344959166.db2.gz LMLWLKIXCITDEJ-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CCC[N@H+]1C[C@H]1[NH2+]CC[C@H]1C 299896440 344959168 /nfs/dbraw/zinc/95/91/68/344959168.db2.gz LMLWLKIXCITDEJ-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[N@H+]1CC[C@@H](C)C1 299897203 344959266 /nfs/dbraw/zinc/95/92/66/344959266.db2.gz OWLAKGTZVBNNLH-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[NH+](C[C@@H]2[NH2+]CC[C@H]2C)C[C@H]1C 299896061 344959205 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/nfs/dbraw/zinc/96/61/23/344966123.db2.gz JNYKENTWUSBLAS-VHSXEESVSA-N 2 2 194.278 1.367 10 0 ADAELP Cc1ccoc1C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048403 344966166 /nfs/dbraw/zinc/96/61/66/344966166.db2.gz JNYKENTWUSBLAS-NXEZZACHSA-N 2 2 194.278 1.367 10 0 ADAELP Cc1ccoc1C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048403 344966168 /nfs/dbraw/zinc/96/61/68/344966168.db2.gz JNYKENTWUSBLAS-NXEZZACHSA-N 2 2 194.278 1.367 10 0 ADAELP CC(C)=CC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048077 344966215 /nfs/dbraw/zinc/96/62/15/344966215.db2.gz HAPIBCJORVEHDK-NXEZZACHSA-N 2 2 168.284 1.232 10 0 ADAELP CC(C)=CC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048077 344966218 /nfs/dbraw/zinc/96/62/18/344966218.db2.gz HAPIBCJORVEHDK-NXEZZACHSA-N 2 2 168.284 1.232 10 0 ADAELP CC(C)=CC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300048078 344966293 /nfs/dbraw/zinc/96/62/93/344966293.db2.gz HAPIBCJORVEHDK-VHSXEESVSA-N 2 2 168.284 1.232 10 0 ADAELP CC(C)=CC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 300048078 344966294 /nfs/dbraw/zinc/96/62/94/344966294.db2.gz HAPIBCJORVEHDK-VHSXEESVSA-N 2 2 168.284 1.232 10 0 ADAELP C[C@H]1C[N@H+](Cc2ccsc2)C[C@H]1[NH3+] 300046962 344966464 /nfs/dbraw/zinc/96/64/64/344966464.db2.gz BLDBNBLKEYFHTQ-WCBMZHEXSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@H]1C[N@@H+](Cc2ccsc2)C[C@H]1[NH3+] 300046962 344966466 /nfs/dbraw/zinc/96/64/66/344966466.db2.gz BLDBNBLKEYFHTQ-WCBMZHEXSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@H]1C[N@H+](Cc2ccco2)C[C@H]1[NH3+] 300050437 344967711 /nfs/dbraw/zinc/96/77/11/344967711.db2.gz ZSLWFJWAEKIDSA-WCBMZHEXSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1[NH3+] 300050437 344967713 /nfs/dbraw/zinc/96/77/13/344967713.db2.gz ZSLWFJWAEKIDSA-WCBMZHEXSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@@H]1C[N@H+](Cc2ccoc2)C[C@H]1[NH3+] 300049676 344967783 /nfs/dbraw/zinc/96/77/83/344967783.db2.gz UGJLUFCWIMJBDT-PSASIEDQSA-N 2 2 180.251 1.059 10 0 ADAELP C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@H]1[NH3+] 300049676 344967787 /nfs/dbraw/zinc/96/77/87/344967787.db2.gz 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10 0 ADAELP C[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH2+]2)C1 300058155 344968524 /nfs/dbraw/zinc/96/85/24/344968524.db2.gz VSPOKNIGGQKBFI-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH2+]2)C1 300058155 344968526 /nfs/dbraw/zinc/96/85/26/344968526.db2.gz VSPOKNIGGQKBFI-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@]1(C)CC[NH2+]C1 300241663 344973044 /nfs/dbraw/zinc/97/30/44/344973044.db2.gz JXIFKVCCKSQLIK-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@]1(C)CC[NH2+]C1 300241663 344973049 /nfs/dbraw/zinc/97/30/49/344973049.db2.gz JXIFKVCCKSQLIK-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C=CCCC2)C1 300332646 344973520 /nfs/dbraw/zinc/97/35/20/344973520.db2.gz ULIAXFVOIHLPAH-WDEREUQCSA-N 2 2 180.295 1.389 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+][C@H]2C=CCCC2)C1 300332646 344973526 /nfs/dbraw/zinc/97/35/26/344973526.db2.gz ULIAXFVOIHLPAH-WDEREUQCSA-N 2 2 180.295 1.389 10 0 ADAELP 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C[C@@H]1C[C@H]1[C@@H](C)[N@H+]1CCC[NH2+]CC1 306269828 345158641 /nfs/dbraw/zinc/15/86/41/345158641.db2.gz MYCIHJWCWHBFPC-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]([C@@H]1C[C@H]1C)[N@@H+]1CCC[NH2+]CC1 306269831 345158728 /nfs/dbraw/zinc/15/87/28/345158728.db2.gz MYCIHJWCWHBFPC-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]([C@@H]1C[C@H]1C)[N@H+]1CCC[NH2+]CC1 306269831 345158730 /nfs/dbraw/zinc/15/87/30/345158730.db2.gz MYCIHJWCWHBFPC-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP C/C(=C\c1cn(C)c[nH+]1)[C@@H](C)[NH3+] 306272188 345160234 /nfs/dbraw/zinc/16/02/34/345160234.db2.gz WXIIATICOWNGPD-RXLGXGPVSA-N 2 2 165.240 1.171 10 0 ADAELP C/C(=C\c1cn(C)c[nH+]1)[C@H](C)[NH3+] 306272187 345160491 /nfs/dbraw/zinc/16/04/91/345160491.db2.gz WXIIATICOWNGPD-IPWDFOCMSA-N 2 2 165.240 1.171 10 0 ADAELP CC(C)C1C[NH+]([C@H]2C[NH2+]C[C@H]2C)C1 306273652 345161408 /nfs/dbraw/zinc/16/14/08/345161408.db2.gz ZXYXORSAFQTMRI-KOLCDFICSA-N 2 2 182.311 1.182 10 0 ADAELP CC(C)C1C[NH+]([C@H]2C[NH2+]C[C@@H]2C)C1 306273654 345161758 /nfs/dbraw/zinc/16/17/58/345161758.db2.gz ZXYXORSAFQTMRI-ONGXEEELSA-N 2 2 182.311 1.182 10 0 ADAELP C[C@@H]1C[C@H](n2cc[nH+]c2)C[NH2+][C@@H]1C 306295211 345176428 /nfs/dbraw/zinc/17/64/28/345176428.db2.gz YZPTUMFVKPOILM-BBBLOLIVSA-N 2 2 179.267 1.442 10 0 ADAELP C[C@@H]1[NH2+]C[C@@H](n2cc[nH+]c2)C[C@H]1C 306295216 345176519 /nfs/dbraw/zinc/17/65/19/345176519.db2.gz YZPTUMFVKPOILM-UTLUCORTSA-N 2 2 179.267 1.442 10 0 ADAELP C[C@@H]1C[C@@H](n2cc[nH+]c2)C[NH2+][C@@H]1C 306295214 345176710 /nfs/dbraw/zinc/17/67/10/345176710.db2.gz YZPTUMFVKPOILM-OPRDCNLKSA-N 2 2 179.267 1.442 10 0 ADAELP Cc1ccc(NCC[NH3+])c(C)[nH+]1 306296476 345177149 /nfs/dbraw/zinc/17/71/49/345177149.db2.gz CXOBMEWUZLMHQT-UHFFFAOYSA-N 2 2 165.240 1.069 10 0 ADAELP CCc1cc(CC[NH3+])cc[nH+]1 306297125 345177957 /nfs/dbraw/zinc/17/79/57/345177957.db2.gz BYIWQKNYPVGICP-UHFFFAOYSA-N 2 2 150.225 1.145 10 0 ADAELP Cn1c[nH+]c(C2=C[C@@H]([NH3+])CCC2)c1 306298678 345179127 /nfs/dbraw/zinc/17/91/27/345179127.db2.gz DTEPPKYKTSDLEN-VIFPVBQESA-N 2 2 177.251 1.315 10 0 ADAELP Cn1c[nH+]c(C2=C[C@H]([NH3+])CCC2)c1 306298677 345179150 /nfs/dbraw/zinc/17/91/50/345179150.db2.gz DTEPPKYKTSDLEN-SECBINFHSA-N 2 2 177.251 1.315 10 0 ADAELP Cn1c[nH+]c([C@@H]2CCCC[C@@H]2[NH3+])c1 306305860 345185816 /nfs/dbraw/zinc/18/58/16/345185816.db2.gz RWDACVGSYIRRKX-BDAKNGLRSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1c[nH+]c([C@@H]2CCCC[C@H]2[NH3+])c1 306305863 345186063 /nfs/dbraw/zinc/18/60/63/345186063.db2.gz RWDACVGSYIRRKX-RKDXNWHRSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1c[nH+]c([C@H]2CCCC[C@H]2[NH3+])c1 306305861 345186304 /nfs/dbraw/zinc/18/63/04/345186304.db2.gz RWDACVGSYIRRKX-DTWKUNHWSA-N 2 2 179.267 1.405 10 0 ADAELP Cc1c[nH+]c(C[NH+]2CCC2)c(C)c1N 306308373 345187801 /nfs/dbraw/zinc/18/78/01/345187801.db2.gz HNXJMCTXGSFWTN-UHFFFAOYSA-N 2 2 191.278 1.486 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC1 306316140 345194574 /nfs/dbraw/zinc/19/45/74/345194574.db2.gz RAIKWEKINQDLRI-WCBMZHEXSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC1 306316140 345194575 /nfs/dbraw/zinc/19/45/75/345194575.db2.gz RAIKWEKINQDLRI-WCBMZHEXSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC1 306316143 345194623 /nfs/dbraw/zinc/19/46/23/345194623.db2.gz RAIKWEKINQDLRI-WPRPVWTQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC1 306316143 345194626 /nfs/dbraw/zinc/19/46/26/345194626.db2.gz RAIKWEKINQDLRI-WPRPVWTQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](CCF)CC[C@@H]1[NH+](C)C 306318833 345196809 /nfs/dbraw/zinc/19/68/09/345196809.db2.gz UTVGHPPXHITXRO-UWVGGRQHSA-N 2 2 188.290 1.228 10 0 ADAELP C[C@H]1C[N@@H+](CCF)CC[C@@H]1[NH+](C)C 306318833 345196811 /nfs/dbraw/zinc/19/68/11/345196811.db2.gz UTVGHPPXHITXRO-UWVGGRQHSA-N 2 2 188.290 1.228 10 0 ADAELP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1[NH+](C)C 306318838 345197012 /nfs/dbraw/zinc/19/70/12/345197012.db2.gz UTVGHPPXHITXRO-ZJUUUORDSA-N 2 2 188.290 1.228 10 0 ADAELP C[C@@H]1C[N@H+](CCF)CC[C@@H]1[NH+](C)C 306318838 345197010 /nfs/dbraw/zinc/19/70/10/345197010.db2.gz UTVGHPPXHITXRO-ZJUUUORDSA-N 2 2 188.290 1.228 10 0 ADAELP C[C@@H]1C[N@H+](CCF)CC[C@H]1[NH+](C)C 306318831 345197127 /nfs/dbraw/zinc/19/71/27/345197127.db2.gz UTVGHPPXHITXRO-NXEZZACHSA-N 2 2 188.290 1.228 10 0 ADAELP C[C@@H]1C[N@@H+](CCF)CC[C@H]1[NH+](C)C 306318831 345197129 /nfs/dbraw/zinc/19/71/29/345197129.db2.gz UTVGHPPXHITXRO-NXEZZACHSA-N 2 2 188.290 1.228 10 0 ADAELP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 306321729 345199276 /nfs/dbraw/zinc/19/92/76/345199276.db2.gz LIZRJGVULCFFAI-NWDGAFQWSA-N 2 2 194.322 1.766 10 0 ADAELP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 306321729 345199278 /nfs/dbraw/zinc/19/92/78/345199278.db2.gz LIZRJGVULCFFAI-NWDGAFQWSA-N 2 2 194.322 1.766 10 0 ADAELP [NH3+][C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 306321730 345199330 /nfs/dbraw/zinc/19/93/30/345199330.db2.gz LIZRJGVULCFFAI-RYUDHWBXSA-N 2 2 194.322 1.766 10 0 ADAELP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 306321730 345199333 /nfs/dbraw/zinc/19/93/33/345199333.db2.gz LIZRJGVULCFFAI-RYUDHWBXSA-N 2 2 194.322 1.766 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H]2C)C1 306323350 345200695 /nfs/dbraw/zinc/20/06/95/345200695.db2.gz ZVLNLAHGBJPLDM-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H]2C)C1 306323350 345200697 /nfs/dbraw/zinc/20/06/97/345200697.db2.gz ZVLNLAHGBJPLDM-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@@H+]1CC[C@@H](C)C1 306323351 345200851 /nfs/dbraw/zinc/20/08/51/345200851.db2.gz ZVLNLAHGBJPLDM-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@H+]1CC[C@@H](C)C1 306323351 345200854 /nfs/dbraw/zinc/20/08/54/345200854.db2.gz ZVLNLAHGBJPLDM-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H]2C)C1 306323353 345201005 /nfs/dbraw/zinc/20/10/05/345201005.db2.gz ZVLNLAHGBJPLDM-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H]2C)C1 306323353 345201009 /nfs/dbraw/zinc/20/10/09/345201009.db2.gz ZVLNLAHGBJPLDM-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@@H+]1CC[C@@H](C)C1 306323354 345201055 /nfs/dbraw/zinc/20/10/55/345201055.db2.gz ZVLNLAHGBJPLDM-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CC[C@@H](C)C1 306323354 345201057 /nfs/dbraw/zinc/20/10/57/345201057.db2.gz ZVLNLAHGBJPLDM-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP Cc1cccc(NC2C[NH+](C)C2)[nH+]1 306325476 345202695 /nfs/dbraw/zinc/20/26/95/345202695.db2.gz WMAUUNROVDYDAX-UHFFFAOYSA-N 2 2 177.251 1.116 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C1 306326967 345204241 /nfs/dbraw/zinc/20/42/41/345204241.db2.gz MMRZGWRJQZCJDH-RQJHMYQMSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C1 306326967 345204246 /nfs/dbraw/zinc/20/42/46/345204246.db2.gz MMRZGWRJQZCJDH-RQJHMYQMSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C1 306326966 345204417 /nfs/dbraw/zinc/20/44/17/345204417.db2.gz MMRZGWRJQZCJDH-RNFRBKRXSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C1 306326966 345204420 /nfs/dbraw/zinc/20/44/20/345204420.db2.gz MMRZGWRJQZCJDH-RNFRBKRXSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2CC[C@H]2C)CCC[NH2+]1 306339245 345214033 /nfs/dbraw/zinc/21/40/33/345214033.db2.gz YXDMMBSBDCRVTG-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 306339244 345214100 /nfs/dbraw/zinc/21/41/00/345214100.db2.gz YXDMMBSBDCRVTG-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@H]1[N@H+]1CCC[NH2+][C@H](C)C1 306339244 345214103 /nfs/dbraw/zinc/21/41/03/345214103.db2.gz YXDMMBSBDCRVTG-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2C)CCC[NH2+]1 306339243 345214256 /nfs/dbraw/zinc/21/42/56/345214256.db2.gz YXDMMBSBDCRVTG-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2C)CCC[NH2+]1 306339243 345214260 /nfs/dbraw/zinc/21/42/60/345214260.db2.gz YXDMMBSBDCRVTG-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 306339242 345214376 /nfs/dbraw/zinc/21/43/76/345214376.db2.gz YXDMMBSBDCRVTG-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@@H]1[N@H+]1CCC[NH2+][C@H](C)C1 306339242 345214378 /nfs/dbraw/zinc/21/43/78/345214378.db2.gz YXDMMBSBDCRVTG-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1c1cn(C)c[nH+]1 306346617 345220471 /nfs/dbraw/zinc/22/04/71/345220471.db2.gz ASGZSYSOTZFHJT-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1c1cn(C)c[nH+]1 306346615 345220510 /nfs/dbraw/zinc/22/05/10/345220510.db2.gz ASGZSYSOTZFHJT-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1c1cn(C)c[nH+]1 306346616 345220633 /nfs/dbraw/zinc/22/06/33/345220633.db2.gz ASGZSYSOTZFHJT-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1c1cn(C)c[nH+]1 306346618 345220899 /nfs/dbraw/zinc/22/08/99/345220899.db2.gz ASGZSYSOTZFHJT-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1CCC(C(F)F)CC1 306347999 345221868 /nfs/dbraw/zinc/22/18/68/345221868.db2.gz FTXXIRKTBQGEEZ-SSDOTTSWSA-N 2 2 192.253 1.311 10 0 ADAELP C[NH2+][C@@H]1CC[C@H](c2cn(C)c[nH+]2)C1 306349095 345222878 /nfs/dbraw/zinc/22/28/78/345222878.db2.gz INOZGBRCBBPVCZ-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@@H]1CC[C@@H](c2cn(C)c[nH+]2)C1 306349097 345222948 /nfs/dbraw/zinc/22/29/48/345222948.db2.gz INOZGBRCBBPVCZ-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@H]1CC[C@@H](c2cn(C)c[nH+]2)C1 306349094 345223029 /nfs/dbraw/zinc/22/30/29/345223029.db2.gz INOZGBRCBBPVCZ-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP [NH3+]C1(C[N@H+]2CC3CCC2CC3)CC1 306350799 345224057 /nfs/dbraw/zinc/22/40/57/345224057.db2.gz WKJPZEGPXFXVLK-UHFFFAOYSA-N 2 2 180.295 1.352 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@@H]1c1cn(C)c[nH+]1 306354726 345226627 /nfs/dbraw/zinc/22/66/27/345226627.db2.gz SJVZTKKATJXHRR-BDAKNGLRSA-N 2 2 179.267 1.133 10 0 ADAELP CCC[N@@H+]1CC[C@H]2CC[NH+](C)[C@H]2C1 306355562 345226881 /nfs/dbraw/zinc/22/68/81/345226881.db2.gz JSJMFCQXGRZZHP-MNOVXSKESA-N 2 2 182.311 1.422 10 0 ADAELP CCC[N@H+]1CC[C@H]2CC[NH+](C)[C@H]2C1 306355562 345226883 /nfs/dbraw/zinc/22/68/83/345226883.db2.gz JSJMFCQXGRZZHP-MNOVXSKESA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@H]2CC[N@H+](C)[C@H]2C1 306355562 345226884 /nfs/dbraw/zinc/22/68/84/345226884.db2.gz JSJMFCQXGRZZHP-MNOVXSKESA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@H]2CC[N@@H+](C)[C@H]2C1 306355562 345226885 /nfs/dbraw/zinc/22/68/85/345226885.db2.gz JSJMFCQXGRZZHP-MNOVXSKESA-N 2 2 182.311 1.422 10 0 ADAELP CCC[N@@H+]1CC[C@H]2CC[NH+](C)[C@@H]2C1 306355561 345226904 /nfs/dbraw/zinc/22/69/04/345226904.db2.gz JSJMFCQXGRZZHP-GHMZBOCLSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[N@H+]1CC[C@H]2CC[NH+](C)[C@@H]2C1 306355561 345226906 /nfs/dbraw/zinc/22/69/06/345226906.db2.gz JSJMFCQXGRZZHP-GHMZBOCLSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@H]2CC[N@H+](C)[C@@H]2C1 306355561 345226910 /nfs/dbraw/zinc/22/69/10/345226910.db2.gz JSJMFCQXGRZZHP-GHMZBOCLSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 306355561 345226911 /nfs/dbraw/zinc/22/69/11/345226911.db2.gz JSJMFCQXGRZZHP-GHMZBOCLSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[N@@H+]1CC[C@@H]2CC[NH+](C)[C@H]2C1 306355563 345226979 /nfs/dbraw/zinc/22/69/79/345226979.db2.gz JSJMFCQXGRZZHP-QWRGUYRKSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[N@H+]1CC[C@@H]2CC[NH+](C)[C@H]2C1 306355563 345226982 /nfs/dbraw/zinc/22/69/82/345226982.db2.gz JSJMFCQXGRZZHP-QWRGUYRKSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@@H]2CC[N@H+](C)[C@H]2C1 306355563 345226985 /nfs/dbraw/zinc/22/69/85/345226985.db2.gz JSJMFCQXGRZZHP-QWRGUYRKSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 306355563 345226988 /nfs/dbraw/zinc/22/69/88/345226988.db2.gz JSJMFCQXGRZZHP-QWRGUYRKSA-N 2 2 182.311 1.422 10 0 ADAELP C[C@H]1C[NH2+]CC[C@H]1c1cn(C)c[nH+]1 306355106 345227178 /nfs/dbraw/zinc/22/71/78/345227178.db2.gz SJVZTKKATJXHRR-DTWKUNHWSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@H]1C[NH2+]CC[C@@H]1c1cn(C)c[nH+]1 306355107 345227282 /nfs/dbraw/zinc/22/72/82/345227282.db2.gz SJVZTKKATJXHRR-IUCAKERBSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@H]1c1cn(C)c[nH+]1 306355108 345227354 /nfs/dbraw/zinc/22/73/54/345227354.db2.gz SJVZTKKATJXHRR-RKDXNWHRSA-N 2 2 179.267 1.133 10 0 ADAELP CCC[N@@H+]1CC[C@@H]2CC[NH+](C)[C@@H]2C1 306356013 345227672 /nfs/dbraw/zinc/22/76/72/345227672.db2.gz JSJMFCQXGRZZHP-WDEREUQCSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[N@H+]1CC[C@@H]2CC[NH+](C)[C@@H]2C1 306356013 345227675 /nfs/dbraw/zinc/22/76/75/345227675.db2.gz JSJMFCQXGRZZHP-WDEREUQCSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 306356013 345227677 /nfs/dbraw/zinc/22/76/77/345227677.db2.gz JSJMFCQXGRZZHP-WDEREUQCSA-N 2 2 182.311 1.422 10 0 ADAELP CCC[NH+]1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 306356013 345227680 /nfs/dbraw/zinc/22/76/80/345227680.db2.gz JSJMFCQXGRZZHP-WDEREUQCSA-N 2 2 182.311 1.422 10 0 ADAELP Cc1[nH+]cc(C2(F)CC([NH3+])C2)n1C 306356173 345227688 /nfs/dbraw/zinc/22/76/88/345227688.db2.gz WRHDLHHVVKRSTR-UHFFFAOYSA-N 2 2 183.230 1.014 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CC2CCC1CC2 306360223 345230760 /nfs/dbraw/zinc/23/07/60/345230760.db2.gz MAOIHYZSJXWPML-AFPNSQJFSA-N 2 2 181.283 1.185 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+]1CC2CCC1CC2 306360223 345230764 /nfs/dbraw/zinc/23/07/64/345230764.db2.gz MAOIHYZSJXWPML-AFPNSQJFSA-N 2 2 181.283 1.185 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CC2CCC1CC2 306360224 345230879 /nfs/dbraw/zinc/23/08/79/345230879.db2.gz MAOIHYZSJXWPML-UEJVZZJDSA-N 2 2 181.283 1.185 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CC2CCC1CC2 306360224 345230881 /nfs/dbraw/zinc/23/08/81/345230881.db2.gz MAOIHYZSJXWPML-UEJVZZJDSA-N 2 2 181.283 1.185 10 0 ADAELP C[C@H]1C[C@@H]([N@H+]2C[C@H](C)C[C@@H]2C)C[NH2+]1 306364168 345234169 /nfs/dbraw/zinc/23/41/69/345234169.db2.gz BYHHTZQTEJSUJH-VPOLOUISSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@@H]([N@@H+]2C[C@H](C)C[C@@H]2C)C[NH2+]1 306364168 345234171 /nfs/dbraw/zinc/23/41/71/345234171.db2.gz BYHHTZQTEJSUJH-VPOLOUISSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1C[NH2+][C@H](C)C1 306364154 345234379 /nfs/dbraw/zinc/23/43/79/345234379.db2.gz BYHHTZQTEJSUJH-CHWFTXMASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1C[NH2+][C@H](C)C1 306364154 345234384 /nfs/dbraw/zinc/23/43/84/345234384.db2.gz BYHHTZQTEJSUJH-CHWFTXMASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H]1C[NH2+][C@H](C)C1 306364175 345234629 /nfs/dbraw/zinc/23/46/29/345234629.db2.gz BYHHTZQTEJSUJH-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1C[NH2+][C@H](C)C1 306364175 345234630 /nfs/dbraw/zinc/23/46/30/345234630.db2.gz BYHHTZQTEJSUJH-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@H]([N@H+]2C[C@H](C)C[C@@H]2C)C[NH2+]1 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QZFXDKSLNZYVLS-UWVGGRQHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1(C)C 306376145 345243015 /nfs/dbraw/zinc/24/30/15/345243015.db2.gz QZFXDKSLNZYVLS-UWVGGRQHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C1(C)C 306376147 345243258 /nfs/dbraw/zinc/24/32/58/345243258.db2.gz QZFXDKSLNZYVLS-ZJUUUORDSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1(C)C 306376147 345243259 /nfs/dbraw/zinc/24/32/59/345243259.db2.gz QZFXDKSLNZYVLS-ZJUUUORDSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(C)CC1 306379728 345245975 /nfs/dbraw/zinc/24/59/75/345245975.db2.gz NXVCENIIDVFROA-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(C)CC1 306379728 345245977 /nfs/dbraw/zinc/24/59/77/345245977.db2.gz NXVCENIIDVFROA-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(C)CC1 306379738 345246078 /nfs/dbraw/zinc/24/60/78/345246078.db2.gz NXVCENIIDVFROA-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(C)CC1 306379738 345246081 /nfs/dbraw/zinc/24/60/81/345246081.db2.gz NXVCENIIDVFROA-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(C)CC1 306379737 345246185 /nfs/dbraw/zinc/24/61/85/345246185.db2.gz NXVCENIIDVFROA-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(C)CC1 306379737 345246189 /nfs/dbraw/zinc/24/61/89/345246189.db2.gz NXVCENIIDVFROA-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(C)CC1 306379736 345246233 /nfs/dbraw/zinc/24/62/33/345246233.db2.gz NXVCENIIDVFROA-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(C)CC1 306379736 345246237 /nfs/dbraw/zinc/24/62/37/345246237.db2.gz NXVCENIIDVFROA-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP CC1(C)[NH2+]CC[C@@H]1[NH+]1CC2(CC2)C1 306384118 345249369 /nfs/dbraw/zinc/24/93/69/345249369.db2.gz ZBHACDIMOQOUTH-VIFPVBQESA-N 2 2 180.295 1.223 10 0 ADAELP 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306406029 345265538 /nfs/dbraw/zinc/26/55/38/345265538.db2.gz COGDMFSHKNHZBM-LMLFDSFASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H]1CC[NH2+][C@@H]1C 306406033 345265642 /nfs/dbraw/zinc/26/56/42/345265642.db2.gz COGDMFSHKNHZBM-YTWAJWBKSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[NH2+][C@@H]1C 306406033 345265644 /nfs/dbraw/zinc/26/56/44/345265644.db2.gz COGDMFSHKNHZBM-YTWAJWBKSA-N 2 2 182.311 1.467 10 0 ADAELP Cc1sccc1[C@H]([NH3+])C[NH3+] 306406753 345266175 /nfs/dbraw/zinc/26/61/75/345266175.db2.gz IKTAGYWYDCOKMS-SSDOTTSWSA-N 2 2 156.254 1.015 10 0 ADAELP Cc1sccc1[C@@H]([NH3+])C[NH3+] 306406755 345266582 /nfs/dbraw/zinc/26/65/82/345266582.db2.gz IKTAGYWYDCOKMS-ZETCQYMHSA-N 2 2 156.254 1.015 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCS[C@H](C)C1 306407292 345266922 /nfs/dbraw/zinc/26/69/22/345266922.db2.gz YACHVOAXMGXXQM-HRDYMLBCSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCS[C@H](C)C1 306407292 345266925 /nfs/dbraw/zinc/26/69/25/345266925.db2.gz YACHVOAXMGXXQM-HRDYMLBCSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCS[C@H](C)C1 306407294 345266931 /nfs/dbraw/zinc/26/69/31/345266931.db2.gz YACHVOAXMGXXQM-VGMNWLOBSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCS[C@H](C)C1 306407294 345266935 /nfs/dbraw/zinc/26/69/35/345266935.db2.gz YACHVOAXMGXXQM-VGMNWLOBSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]1C[N@H+]([C@H](C)[C@@H](C)[NH3+])CCS1 306407293 345267053 /nfs/dbraw/zinc/26/70/53/345267053.db2.gz YACHVOAXMGXXQM-IWSPIJDZSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)[C@@H](C)[NH3+])CCS1 306407293 345267055 /nfs/dbraw/zinc/26/70/55/345267055.db2.gz YACHVOAXMGXXQM-IWSPIJDZSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCS[C@H](C)C1 306407290 345267334 /nfs/dbraw/zinc/26/73/34/345267334.db2.gz YACHVOAXMGXXQM-HLTSFMKQSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCS[C@H](C)C1 306407290 345267337 /nfs/dbraw/zinc/26/73/37/345267337.db2.gz YACHVOAXMGXXQM-HLTSFMKQSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@@]1(C[NH+]2CC=CC2)CCC[NH2+]1 306409029 345268282 /nfs/dbraw/zinc/26/82/82/345268282.db2.gz MDSAGPKJTKLWJK-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP C[C@]1(C[NH+]2CC=CC2)CCC[NH2+]1 306409035 345268517 /nfs/dbraw/zinc/26/85/17/345268517.db2.gz MDSAGPKJTKLWJK-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP CC(C)(C)[C@H]([NH3+])C[NH+]1CCC1 306411875 345270742 /nfs/dbraw/zinc/27/07/42/345270742.db2.gz XYKSSKKHLITVIW-MRVPVSSYSA-N 2 2 156.273 1.066 10 0 ADAELP CC(C)(C)[C@@H]([NH3+])C[NH+]1CCC1 306411876 345270931 /nfs/dbraw/zinc/27/09/31/345270931.db2.gz XYKSSKKHLITVIW-QMMMGPOBSA-N 2 2 156.273 1.066 10 0 ADAELP C1C[NH2+]CC[N@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 306420985 345278228 /nfs/dbraw/zinc/27/82/28/345278228.db2.gz YIIPJKWFMOWGNK-HBNTYKKESA-N 2 2 180.295 1.080 10 0 ADAELP C1C[NH2+]CC[N@@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 306420985 345278230 /nfs/dbraw/zinc/27/82/30/345278230.db2.gz YIIPJKWFMOWGNK-HBNTYKKESA-N 2 2 180.295 1.080 10 0 ADAELP C1C[NH2+]CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 306420986 345278432 /nfs/dbraw/zinc/27/84/32/345278432.db2.gz YIIPJKWFMOWGNK-OUAUKWLOSA-N 2 2 180.295 1.080 10 0 ADAELP C1C[NH2+]CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 306420986 345278435 /nfs/dbraw/zinc/27/84/35/345278435.db2.gz YIIPJKWFMOWGNK-OUAUKWLOSA-N 2 2 180.295 1.080 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CC2CCC1CC2 306422623 345279689 /nfs/dbraw/zinc/27/96/89/345279689.db2.gz ANEZMOGIWIVTPU-MFQSTILNSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CC2CCC1CC2 306422623 345279694 /nfs/dbraw/zinc/27/96/94/345279694.db2.gz ANEZMOGIWIVTPU-MFQSTILNSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CC2CCC1CC2 306422621 345279725 /nfs/dbraw/zinc/27/97/25/345279725.db2.gz ANEZMOGIWIVTPU-IZUQBHJASA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CC2CCC1CC2 306422621 345279728 /nfs/dbraw/zinc/27/97/28/345279728.db2.gz ANEZMOGIWIVTPU-IZUQBHJASA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CC2CCC1CC2 306422624 345279820 /nfs/dbraw/zinc/27/98/20/345279820.db2.gz ANEZMOGIWIVTPU-NKVNRFPTSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CC2CCC1CC2 306422624 345279823 /nfs/dbraw/zinc/27/98/23/345279823.db2.gz ANEZMOGIWIVTPU-NKVNRFPTSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC2CCC1CC2 306422625 345279957 /nfs/dbraw/zinc/27/99/57/345279957.db2.gz ANEZMOGIWIVTPU-SAAXCQNUSA-N 2 2 182.311 1.597 10 0 ADAELP CCN(C)c1cc(C)[nH+]c(C[NH3+])c1 306425377 345282592 /nfs/dbraw/zinc/28/25/92/345282592.db2.gz JHERBSCODKINBJ-UHFFFAOYSA-N 2 2 179.267 1.305 10 0 ADAELP c1[nH]c(C[N@@H+]2CCC[C@H]3C[C@H]32)c[nH+]1 306429394 345287549 /nfs/dbraw/zinc/28/75/49/345287549.db2.gz OUXUJBBDZSRAGR-WCBMZHEXSA-N 2 2 177.251 1.394 10 0 ADAELP c1[nH]c(C[N@H+]2CCC[C@H]3C[C@H]32)c[nH+]1 306429394 345287554 /nfs/dbraw/zinc/28/75/54/345287554.db2.gz OUXUJBBDZSRAGR-WCBMZHEXSA-N 2 2 177.251 1.394 10 0 ADAELP c1[nH]c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c[nH+]1 306429393 345287580 /nfs/dbraw/zinc/28/75/80/345287580.db2.gz OUXUJBBDZSRAGR-SCZZXKLOSA-N 2 2 177.251 1.394 10 0 ADAELP CC1C[NH+]([C@H]2CC[NH2+]C2(C)C)C1 306430005 345287886 /nfs/dbraw/zinc/28/78/86/345287886.db2.gz MYZYFSLCTGSAMT-VIFPVBQESA-N 2 2 168.284 1.079 10 0 ADAELP Cn1c[nH+]c([C@H]2CCC[C@@H]2[NH3+])c1 306430101 345288095 /nfs/dbraw/zinc/28/80/95/345288095.db2.gz QAXHLQDUXMIQHO-YUMQZZPRSA-N 2 2 165.240 1.015 10 0 ADAELP CC1C[NH+]([C@@H]2CC[NH2+]C2(C)C)C1 306430004 345288107 /nfs/dbraw/zinc/28/81/07/345288107.db2.gz MYZYFSLCTGSAMT-SECBINFHSA-N 2 2 168.284 1.079 10 0 ADAELP Cn1c[nH+]c([C@@H]2CCC[C@H]2[NH3+])c1 306430098 345288159 /nfs/dbraw/zinc/28/81/59/345288159.db2.gz QAXHLQDUXMIQHO-HTQZYQBOSA-N 2 2 165.240 1.015 10 0 ADAELP Cn1c[nH+]c([C@@H]2CCC[C@@H]2[NH3+])c1 306430100 345288199 /nfs/dbraw/zinc/28/81/99/345288199.db2.gz QAXHLQDUXMIQHO-SFYZADRCSA-N 2 2 165.240 1.015 10 0 ADAELP CCc1cc(-n2cc[nH+]c2)cc[nH+]1 306430971 345289495 /nfs/dbraw/zinc/28/94/95/345289495.db2.gz IWNFQOIQCJJULB-UHFFFAOYSA-N 2 2 173.219 1.830 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C[C@H]1C 306442842 345303129 /nfs/dbraw/zinc/30/31/29/345303129.db2.gz PQVMVNONILTKDL-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C[C@H]1C 306442842 345303131 /nfs/dbraw/zinc/30/31/31/345303131.db2.gz PQVMVNONILTKDL-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C[C@H]1C 306442841 345303177 /nfs/dbraw/zinc/30/31/77/345303177.db2.gz PQVMVNONILTKDL-RCWTZXSCSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C[C@H]1C 306442841 345303180 /nfs/dbraw/zinc/30/31/80/345303180.db2.gz PQVMVNONILTKDL-RCWTZXSCSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)[C@@H]1C 306442840 345303301 /nfs/dbraw/zinc/30/33/01/345303301.db2.gz PQVMVNONILTKDL-DBIOUOCHSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)[C@@H]1C 306442840 345303302 /nfs/dbraw/zinc/30/33/02/345303302.db2.gz PQVMVNONILTKDL-DBIOUOCHSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C2)[C@@H]1C 306442844 345303420 /nfs/dbraw/zinc/30/34/20/345303420.db2.gz PQVMVNONILTKDL-ZNSHCXBVSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)[C@@H]1C 306442844 345303423 /nfs/dbraw/zinc/30/34/23/345303423.db2.gz PQVMVNONILTKDL-ZNSHCXBVSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]21 306449501 345309524 /nfs/dbraw/zinc/30/95/24/345309524.db2.gz AMLRPRTYLPFCPM-ROHXPCBUSA-N 2 2 194.322 1.325 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]21 306449501 345309525 /nfs/dbraw/zinc/30/95/25/345309525.db2.gz AMLRPRTYLPFCPM-ROHXPCBUSA-N 2 2 194.322 1.325 10 0 ADAELP Cc1cc(C[NH+]2CCC2)cc(N)[nH+]1 306462570 345322170 /nfs/dbraw/zinc/32/21/70/345322170.db2.gz ABUYOTMQWRFNCB-UHFFFAOYSA-N 2 2 177.251 1.178 10 0 ADAELP CC(C)[NH+]1CC(N2CCCC2=[NH2+])C1 306462998 345322745 /nfs/dbraw/zinc/32/27/45/345322745.db2.gz HLAAKCHIFWVCMV-UHFFFAOYSA-N 2 2 181.283 1.152 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@H]1C 306468044 345329031 /nfs/dbraw/zinc/32/90/31/345329031.db2.gz NBJJWJSJKIQWLY-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@H]1C 306468044 345329033 /nfs/dbraw/zinc/32/90/33/345329033.db2.gz NBJJWJSJKIQWLY-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@H]1C 306468042 345329071 /nfs/dbraw/zinc/32/90/71/345329071.db2.gz NBJJWJSJKIQWLY-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@H]1C 306468042 345329073 /nfs/dbraw/zinc/32/90/73/345329073.db2.gz NBJJWJSJKIQWLY-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@@H]1C 306468041 345329276 /nfs/dbraw/zinc/32/92/76/345329276.db2.gz NBJJWJSJKIQWLY-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@@H]1C 306468041 345329279 /nfs/dbraw/zinc/32/92/79/345329279.db2.gz NBJJWJSJKIQWLY-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@@H]1C 306468045 345329414 /nfs/dbraw/zinc/32/94/14/345329414.db2.gz NBJJWJSJKIQWLY-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@@H]1C 306468045 345329417 /nfs/dbraw/zinc/32/94/17/345329417.db2.gz NBJJWJSJKIQWLY-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1CCC[C@H]2CCC[N@H+](CC[NH3+])[C@@H]21 306472492 345336145 /nfs/dbraw/zinc/33/61/45/345336145.db2.gz SYSLNTGVUQTRPQ-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[C@H]2CCC[N@@H+](CC[NH3+])[C@@H]21 306472492 345336148 /nfs/dbraw/zinc/33/61/48/345336148.db2.gz SYSLNTGVUQTRPQ-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[C@H]2CCC[N@H+](CC[NH3+])[C@H]21 306472498 345336391 /nfs/dbraw/zinc/33/63/91/345336391.db2.gz SYSLNTGVUQTRPQ-WOPDTQHZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[C@H]2CCC[N@@H+](CC[NH3+])[C@H]21 306472498 345336392 /nfs/dbraw/zinc/33/63/92/345336392.db2.gz SYSLNTGVUQTRPQ-WOPDTQHZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[C@@H]2CCC[N@H+](CC[NH3+])[C@@H]12 306472496 345336430 /nfs/dbraw/zinc/33/64/30/345336430.db2.gz SYSLNTGVUQTRPQ-UTUOFQBUSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[C@@H]2CCC[N@@H+](CC[NH3+])[C@@H]12 306472496 345336432 /nfs/dbraw/zinc/33/64/32/345336432.db2.gz SYSLNTGVUQTRPQ-UTUOFQBUSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[C@@H]2CCC[N@H+](CC[NH3+])[C@H]12 306472494 345336439 /nfs/dbraw/zinc/33/64/39/345336439.db2.gz SYSLNTGVUQTRPQ-IJLUTSLNSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[C@@H]2CCC[N@@H+](CC[NH3+])[C@H]12 306472494 345336441 /nfs/dbraw/zinc/33/64/41/345336441.db2.gz SYSLNTGVUQTRPQ-IJLUTSLNSA-N 2 2 196.338 1.846 10 0 ADAELP [NH3+][C@@H]1CC[N@H+](CC2=CCCCC2)C1 306473795 345337990 /nfs/dbraw/zinc/33/79/90/345337990.db2.gz FERVNEBGVHTRLC-LLVKDONJSA-N 2 2 180.295 1.520 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+](CC2=CCCCC2)C1 306473795 345337992 /nfs/dbraw/zinc/33/79/92/345337992.db2.gz FERVNEBGVHTRLC-LLVKDONJSA-N 2 2 180.295 1.520 10 0 ADAELP Cc1[nH]c(C[N@H+]2CCC[C@@H]2C)c[nH+]1 306478525 345344829 /nfs/dbraw/zinc/34/48/29/345344829.db2.gz HOGXZIRALOSKSN-QMMMGPOBSA-N 2 2 179.267 1.702 10 0 ADAELP Cc1[nH]c(C[N@@H+]2CCC[C@@H]2C)c[nH+]1 306478525 345344847 /nfs/dbraw/zinc/34/48/47/345344847.db2.gz HOGXZIRALOSKSN-QMMMGPOBSA-N 2 2 179.267 1.702 10 0 ADAELP Cc1[nH]c(C[N@H+]2CCC[C@H]2C)c[nH+]1 306478524 345344923 /nfs/dbraw/zinc/34/49/23/345344923.db2.gz HOGXZIRALOSKSN-MRVPVSSYSA-N 2 2 179.267 1.702 10 0 ADAELP Cc1[nH]c(C[N@@H+]2CCC[C@H]2C)c[nH+]1 306478524 345344926 /nfs/dbraw/zinc/34/49/26/345344926.db2.gz HOGXZIRALOSKSN-MRVPVSSYSA-N 2 2 179.267 1.702 10 0 ADAELP C[C@H]1C[C@H](C)[NH+]1CCn1cc[nH+]c1 306480042 345347207 /nfs/dbraw/zinc/34/72/07/345347207.db2.gz IRHFITQMJRVKIP-UWVGGRQHSA-N 2 2 179.267 1.366 10 0 ADAELP C[C@H]1C[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 306480038 345347530 /nfs/dbraw/zinc/34/75/30/345347530.db2.gz IRHFITQMJRVKIP-AOOOYVTPSA-N 2 2 179.267 1.366 10 0 ADAELP C[C@H]1C[C@@H](C)[N@H+]1CCn1cc[nH+]c1 306480038 345347533 /nfs/dbraw/zinc/34/75/33/345347533.db2.gz IRHFITQMJRVKIP-AOOOYVTPSA-N 2 2 179.267 1.366 10 0 ADAELP CCC[C@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C1 306480733 345348492 /nfs/dbraw/zinc/34/84/92/345348492.db2.gz NGSOAYNHDIPGEN-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1 306480733 345348494 /nfs/dbraw/zinc/34/84/94/345348494.db2.gz NGSOAYNHDIPGEN-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C1 306480731 345348498 /nfs/dbraw/zinc/34/84/98/345348498.db2.gz NGSOAYNHDIPGEN-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP CCC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C1 306480731 345348501 /nfs/dbraw/zinc/34/85/01/345348501.db2.gz NGSOAYNHDIPGEN-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP Cc1occc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C 306483582 345352265 /nfs/dbraw/zinc/35/22/65/345352265.db2.gz LOOFWZHYDGBGJC-LDYMZIIASA-N 2 2 194.278 1.510 10 0 ADAELP Cc1occc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 306483582 345352266 /nfs/dbraw/zinc/35/22/66/345352266.db2.gz LOOFWZHYDGBGJC-LDYMZIIASA-N 2 2 194.278 1.510 10 0 ADAELP Cc1occc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C 306483579 345352290 /nfs/dbraw/zinc/35/22/90/345352290.db2.gz LOOFWZHYDGBGJC-KCJUWKMLSA-N 2 2 194.278 1.510 10 0 ADAELP Cc1occc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C 306483579 345352293 /nfs/dbraw/zinc/35/22/93/345352293.db2.gz LOOFWZHYDGBGJC-KCJUWKMLSA-N 2 2 194.278 1.510 10 0 ADAELP Cc1occc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 306483580 345352321 /nfs/dbraw/zinc/35/23/21/345352321.db2.gz LOOFWZHYDGBGJC-KWQFWETISA-N 2 2 194.278 1.510 10 0 ADAELP Cc1occc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 306483580 345352323 /nfs/dbraw/zinc/35/23/23/345352323.db2.gz LOOFWZHYDGBGJC-KWQFWETISA-N 2 2 194.278 1.510 10 0 ADAELP Cc1occc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 306483577 345352352 /nfs/dbraw/zinc/35/23/52/345352352.db2.gz LOOFWZHYDGBGJC-GZMMTYOYSA-N 2 2 194.278 1.510 10 0 ADAELP Cc1occc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C 306483577 345352354 /nfs/dbraw/zinc/35/23/54/345352354.db2.gz LOOFWZHYDGBGJC-GZMMTYOYSA-N 2 2 194.278 1.510 10 0 ADAELP Cc1cc[nH+]cc1NCC(C)(C)[NH3+] 306484784 345353946 /nfs/dbraw/zinc/35/39/46/345353946.db2.gz QKCKCXVIMMKSNW-UHFFFAOYSA-N 2 2 179.267 1.539 10 0 ADAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC1 306490129 345361585 /nfs/dbraw/zinc/36/15/85/345361585.db2.gz UXJZWSRAHITRSD-LDYMZIIASA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC1 306490129 345361590 /nfs/dbraw/zinc/36/15/90/345361590.db2.gz UXJZWSRAHITRSD-LDYMZIIASA-N 2 2 180.295 1.221 10 0 ADAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC1 306490125 345361683 /nfs/dbraw/zinc/36/16/83/345361683.db2.gz UXJZWSRAHITRSD-GZMMTYOYSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC1 306490125 345361686 /nfs/dbraw/zinc/36/16/86/345361686.db2.gz UXJZWSRAHITRSD-GZMMTYOYSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC1 306490128 345361712 /nfs/dbraw/zinc/36/17/12/345361712.db2.gz UXJZWSRAHITRSD-KWQFWETISA-N 2 2 180.295 1.221 10 0 ADAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC1 306490128 345361714 /nfs/dbraw/zinc/36/17/14/345361714.db2.gz UXJZWSRAHITRSD-KWQFWETISA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC1 306490127 345361933 /nfs/dbraw/zinc/36/19/33/345361933.db2.gz UXJZWSRAHITRSD-KCJUWKMLSA-N 2 2 180.295 1.221 10 0 ADAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC1 306490127 345361935 /nfs/dbraw/zinc/36/19/35/345361935.db2.gz UXJZWSRAHITRSD-KCJUWKMLSA-N 2 2 180.295 1.221 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@@H]21 306495458 345368797 /nfs/dbraw/zinc/36/87/97/345368797.db2.gz VOYYBWXSDQZMSE-SRVKXCTJSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@@H]21 306495458 345368800 /nfs/dbraw/zinc/36/88/00/345368800.db2.gz VOYYBWXSDQZMSE-SRVKXCTJSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+]C1(C[NH+]2CC=CC2)CCCC1 306495441 345368967 /nfs/dbraw/zinc/36/89/67/345368967.db2.gz VMTCABDZHBSHRT-UHFFFAOYSA-N 2 2 180.295 1.390 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@H]21 306495457 345369058 /nfs/dbraw/zinc/36/90/58/345369058.db2.gz VOYYBWXSDQZMSE-SDDRHHMPSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@H]21 306495457 345369059 /nfs/dbraw/zinc/36/90/59/345369059.db2.gz VOYYBWXSDQZMSE-SDDRHHMPSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@@H]21 306495459 345369087 /nfs/dbraw/zinc/36/90/87/345369087.db2.gz VOYYBWXSDQZMSE-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@@H]21 306495459 345369089 /nfs/dbraw/zinc/36/90/89/345369089.db2.gz VOYYBWXSDQZMSE-WOPDTQHZSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@H]21 306495456 345369216 /nfs/dbraw/zinc/36/92/16/345369216.db2.gz VOYYBWXSDQZMSE-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@H]21 306495456 345369218 /nfs/dbraw/zinc/36/92/18/345369218.db2.gz VOYYBWXSDQZMSE-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP Cc1[nH+]cn(Cc2[nH]cc[nH+]2)c1C 306495732 345369726 /nfs/dbraw/zinc/36/97/26/345369726.db2.gz VVLRSAZSOSSDSA-UHFFFAOYSA-N 2 2 176.223 1.271 10 0 ADAELP CC(C)[C@@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 306498720 345372575 /nfs/dbraw/zinc/37/25/75/345372575.db2.gz GLKIZNJUYOCPCZ-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@@H](C1CC1)[N@H+]1CCC[NH2+]CC1 306498720 345372578 /nfs/dbraw/zinc/37/25/78/345372578.db2.gz GLKIZNJUYOCPCZ-LBPRGKRZSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@H](C1CC1)[N@@H+]1CCC[NH2+]CC1 306498719 345372652 /nfs/dbraw/zinc/37/26/52/345372652.db2.gz GLKIZNJUYOCPCZ-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@H](C1CC1)[N@H+]1CCC[NH2+]CC1 306498719 345372654 /nfs/dbraw/zinc/37/26/54/345372654.db2.gz GLKIZNJUYOCPCZ-GFCCVEGCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@H](C1CC1)[N@@H+]1CCC[C@H]([NH3+])C1 306499927 345373333 /nfs/dbraw/zinc/37/33/33/345373333.db2.gz LNOLJEZEYXDUCC-NWDGAFQWSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@H](C1CC1)[N@H+]1CCC[C@H]([NH3+])C1 306499927 345373334 /nfs/dbraw/zinc/37/33/34/345373334.db2.gz LNOLJEZEYXDUCC-NWDGAFQWSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@H](C1CC1)[N@@H+]1CCC[C@@H]([NH3+])C1 306499929 345373371 /nfs/dbraw/zinc/37/33/71/345373371.db2.gz LNOLJEZEYXDUCC-VXGBXAGGSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@H](C1CC1)[N@H+]1CCC[C@@H]([NH3+])C1 306499929 345373372 /nfs/dbraw/zinc/37/33/72/345373372.db2.gz LNOLJEZEYXDUCC-VXGBXAGGSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@@H](C1CC1)[N@@H+]1CCC[C@H]([NH3+])C1 306499928 345373391 /nfs/dbraw/zinc/37/33/91/345373391.db2.gz LNOLJEZEYXDUCC-RYUDHWBXSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@@H](C1CC1)[N@H+]1CCC[C@H]([NH3+])C1 306499928 345373393 /nfs/dbraw/zinc/37/33/93/345373393.db2.gz LNOLJEZEYXDUCC-RYUDHWBXSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@@H](C1CC1)[N@@H+]1CCC[C@@H]([NH3+])C1 306499926 345373463 /nfs/dbraw/zinc/37/34/63/345373463.db2.gz LNOLJEZEYXDUCC-NEPJUHHUSA-N 2 2 196.338 1.844 10 0 ADAELP CC(C)[C@@H](C1CC1)[N@H+]1CCC[C@@H]([NH3+])C1 306499926 345373466 /nfs/dbraw/zinc/37/34/66/345373466.db2.gz LNOLJEZEYXDUCC-NEPJUHHUSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H](C1CC1)[N@@H+]1CCC[NH2+][C@@H](C)C1 306504250 345378516 /nfs/dbraw/zinc/37/85/16/345378516.db2.gz YQKSZDWXAVAPSX-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@H+]1CCC[NH2+][C@@H](C)C1 306504250 345378518 /nfs/dbraw/zinc/37/85/18/345378518.db2.gz YQKSZDWXAVAPSX-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+]1CCC[NH2+][C@@H](C)C1 306504251 345378533 /nfs/dbraw/zinc/37/85/33/345378533.db2.gz YQKSZDWXAVAPSX-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@H+]1CCC[NH2+][C@@H](C)C1 306504251 345378534 /nfs/dbraw/zinc/37/85/34/345378534.db2.gz YQKSZDWXAVAPSX-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+]1CCC[NH2+][C@H](C)C1 306504252 345378652 /nfs/dbraw/zinc/37/86/52/345378652.db2.gz YQKSZDWXAVAPSX-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H](C1CC1)[N@H+]1CCC[NH2+][C@H](C)C1 306504252 345378653 /nfs/dbraw/zinc/37/86/53/345378653.db2.gz YQKSZDWXAVAPSX-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@@H+]1CCC[NH2+][C@H](C)C1 306504253 345378729 /nfs/dbraw/zinc/37/87/29/345378729.db2.gz YQKSZDWXAVAPSX-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C1CC1)[N@H+]1CCC[NH2+][C@H](C)C1 306504253 345378731 /nfs/dbraw/zinc/37/87/31/345378731.db2.gz YQKSZDWXAVAPSX-ZYHUDNBSSA-N 2 2 196.338 1.859 10 0 ADAELP [NH3+][C@H]1CC[N@H+](CC2(C(F)F)CC2)C1 306508472 345381061 /nfs/dbraw/zinc/38/10/61/345381061.db2.gz AXSVRJUHANUBSQ-ZETCQYMHSA-N 2 2 190.237 1.065 10 0 ADAELP [NH3+][C@H]1CC[N@@H+](CC2(C(F)F)CC2)C1 306508472 345381064 /nfs/dbraw/zinc/38/10/64/345381064.db2.gz AXSVRJUHANUBSQ-ZETCQYMHSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@H]1C[N@@H+](C2CC(C)(C)C2)CCC[NH2+]1 306517757 345388577 /nfs/dbraw/zinc/38/85/77/345388577.db2.gz GAOMHOJWLGIKEM-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[N@H+](C2CC(C)(C)C2)CCC[NH2+]1 306517757 345388580 /nfs/dbraw/zinc/38/85/80/345388580.db2.gz GAOMHOJWLGIKEM-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@@H+](C2CC(C)(C)C2)CCC[NH2+]1 306517759 345388947 /nfs/dbraw/zinc/38/89/47/345388947.db2.gz GAOMHOJWLGIKEM-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@H+](C2CC(C)(C)C2)CCC[NH2+]1 306517759 345388948 /nfs/dbraw/zinc/38/89/48/345388948.db2.gz GAOMHOJWLGIKEM-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[C@H]1[N@@H+]1CCC[NH2+]CC1 306518188 345389126 /nfs/dbraw/zinc/38/91/26/345389126.db2.gz BEXVYBGQXVXJAA-VHSXEESVSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[C@H]1[N@H+]1CCC[NH2+]CC1 306518188 345389128 /nfs/dbraw/zinc/38/91/28/345389128.db2.gz BEXVYBGQXVXJAA-VHSXEESVSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[C@H]1[N@@H+]1CCC[NH2+]CC1 306518186 345389305 /nfs/dbraw/zinc/38/93/05/345389305.db2.gz BEXVYBGQXVXJAA-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[C@H]1[N@H+]1CCC[NH2+]CC1 306518186 345389308 /nfs/dbraw/zinc/38/93/08/345389308.db2.gz BEXVYBGQXVXJAA-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[C@@H]1[N@@H+]1CCC[NH2+]CC1 306518189 345389508 /nfs/dbraw/zinc/38/95/08/345389508.db2.gz BEXVYBGQXVXJAA-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[C@@H]1[N@H+]1CCC[NH2+]CC1 306518189 345389509 /nfs/dbraw/zinc/38/95/09/345389509.db2.gz BEXVYBGQXVXJAA-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[C@@H]1[N@@H+]1CCC[NH2+]CC1 306518187 345389557 /nfs/dbraw/zinc/38/95/57/345389557.db2.gz BEXVYBGQXVXJAA-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[C@@H]1[N@H+]1CCC[NH2+]CC1 306518187 345389560 /nfs/dbraw/zinc/38/95/60/345389560.db2.gz BEXVYBGQXVXJAA-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP C1CCC[NH+](C[C@H]2CC[NH2+]2)CCC1 306522432 345394547 /nfs/dbraw/zinc/39/45/47/345394547.db2.gz PWLMFTFQBULSIC-LLVKDONJSA-N 2 2 182.311 1.614 10 0 ADAELP C1CCC[NH+](C[C@@H]2CC[NH2+]2)CCC1 306522433 345394591 /nfs/dbraw/zinc/39/45/91/345394591.db2.gz PWLMFTFQBULSIC-NSHDSACASA-N 2 2 182.311 1.614 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C[NH+]2CC=CC2)C1 306522669 345395052 /nfs/dbraw/zinc/39/50/52/345395052.db2.gz MANXXLUQBUNYMV-QWRGUYRKSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](C[NH+]2CC=CC2)C1 306522668 345395068 /nfs/dbraw/zinc/39/50/68/345395068.db2.gz MANXXLUQBUNYMV-MNOVXSKESA-N 2 2 180.295 1.246 10 0 ADAELP C[C@H]1CC[NH2+][C@@H](C[NH+]2CC=CC2)C1 306522671 345395180 /nfs/dbraw/zinc/39/51/80/345395180.db2.gz MANXXLUQBUNYMV-WDEREUQCSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](C[NH+]2CC=CC2)C1 306522667 345395186 /nfs/dbraw/zinc/39/51/86/345395186.db2.gz MANXXLUQBUNYMV-GHMZBOCLSA-N 2 2 180.295 1.246 10 0 ADAELP FC1=CCC[N@H+](CC[C@H]2CCC[NH2+]2)C1 306523971 345396063 /nfs/dbraw/zinc/39/60/63/345396063.db2.gz WKWDPFIULLDLMT-LLVKDONJSA-N 2 2 198.285 1.688 10 0 ADAELP FC1=CCC[N@@H+](CC[C@H]2CCC[NH2+]2)C1 306523971 345396065 /nfs/dbraw/zinc/39/60/65/345396065.db2.gz WKWDPFIULLDLMT-LLVKDONJSA-N 2 2 198.285 1.688 10 0 ADAELP CC1=CC[N@H+](C[C@H]2CC[NH2+]2)CC1 306523617 345396122 /nfs/dbraw/zinc/39/61/22/345396122.db2.gz UDXMEMJYFDVRDX-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP CC1=CC[N@@H+](C[C@H]2CC[NH2+]2)CC1 306523617 345396124 /nfs/dbraw/zinc/39/61/24/345396124.db2.gz UDXMEMJYFDVRDX-SNVBAGLBSA-N 2 2 166.268 1.000 10 0 ADAELP FC1=CCC[N@H+](CC[C@@H]2CCC[NH2+]2)C1 306523972 345396150 /nfs/dbraw/zinc/39/61/50/345396150.db2.gz WKWDPFIULLDLMT-NSHDSACASA-N 2 2 198.285 1.688 10 0 ADAELP FC1=CCC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 306523972 345396152 /nfs/dbraw/zinc/39/61/52/345396152.db2.gz WKWDPFIULLDLMT-NSHDSACASA-N 2 2 198.285 1.688 10 0 ADAELP CC1=CC[N@H+](C[C@@H]2CC[NH2+]2)CC1 306523615 345396162 /nfs/dbraw/zinc/39/61/62/345396162.db2.gz UDXMEMJYFDVRDX-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP CC1=CC[N@@H+](C[C@@H]2CC[NH2+]2)CC1 306523615 345396165 /nfs/dbraw/zinc/39/61/65/345396165.db2.gz UDXMEMJYFDVRDX-JTQLQIEISA-N 2 2 166.268 1.000 10 0 ADAELP FC1=CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 306524484 345397026 /nfs/dbraw/zinc/39/70/26/345397026.db2.gz YOXQTUBUZPIYKI-SNVBAGLBSA-N 2 2 198.285 1.545 10 0 ADAELP FC1=CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 306524484 345397029 /nfs/dbraw/zinc/39/70/29/345397029.db2.gz YOXQTUBUZPIYKI-SNVBAGLBSA-N 2 2 198.285 1.545 10 0 ADAELP C[C@H]([NH3+])[C@H](C)C[N@@H+]1CCC=C(F)C1 306524678 345397061 /nfs/dbraw/zinc/39/70/61/345397061.db2.gz ZPGFLVOSRBHOIC-BDAKNGLRSA-N 2 2 186.274 1.529 10 0 ADAELP C[C@H]([NH3+])[C@H](C)C[N@H+]1CCC=C(F)C1 306524678 345397062 /nfs/dbraw/zinc/39/70/62/345397062.db2.gz ZPGFLVOSRBHOIC-BDAKNGLRSA-N 2 2 186.274 1.529 10 0 ADAELP FC1=CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 306524483 345397112 /nfs/dbraw/zinc/39/71/12/345397112.db2.gz YOXQTUBUZPIYKI-JTQLQIEISA-N 2 2 198.285 1.545 10 0 ADAELP FC1=CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 306524483 345397113 /nfs/dbraw/zinc/39/71/13/345397113.db2.gz YOXQTUBUZPIYKI-JTQLQIEISA-N 2 2 198.285 1.545 10 0 ADAELP C[C@@H](C[N@@H+]1CCC=C(F)C1)[C@@H](C)[NH3+] 306524679 345397190 /nfs/dbraw/zinc/39/71/90/345397190.db2.gz ZPGFLVOSRBHOIC-DTWKUNHWSA-N 2 2 186.274 1.529 10 0 ADAELP C[C@@H](C[N@H+]1CCC=C(F)C1)[C@@H](C)[NH3+] 306524679 345397191 /nfs/dbraw/zinc/39/71/91/345397191.db2.gz ZPGFLVOSRBHOIC-DTWKUNHWSA-N 2 2 186.274 1.529 10 0 ADAELP C[C@@H]([NH3+])[C@H](C)C[N@@H+]1CCC=C(F)C1 306524681 345397202 /nfs/dbraw/zinc/39/72/02/345397202.db2.gz ZPGFLVOSRBHOIC-RKDXNWHRSA-N 2 2 186.274 1.529 10 0 ADAELP C[C@@H]([NH3+])[C@H](C)C[N@H+]1CCC=C(F)C1 306524681 345397204 /nfs/dbraw/zinc/39/72/04/345397204.db2.gz ZPGFLVOSRBHOIC-RKDXNWHRSA-N 2 2 186.274 1.529 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1CCC=C(F)C1 306524680 345397221 /nfs/dbraw/zinc/39/72/21/345397221.db2.gz ZPGFLVOSRBHOIC-IUCAKERBSA-N 2 2 186.274 1.529 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCC=C(F)C1 306524680 345397224 /nfs/dbraw/zinc/39/72/24/345397224.db2.gz ZPGFLVOSRBHOIC-IUCAKERBSA-N 2 2 186.274 1.529 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[N@@H+]1CCC[NH2+]CC1 306526768 345398647 /nfs/dbraw/zinc/39/86/47/345398647.db2.gz VNXXIFXJZXPMLF-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[N@H+]1CCC[NH2+]CC1 306526768 345398650 /nfs/dbraw/zinc/39/86/50/345398650.db2.gz VNXXIFXJZXPMLF-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1[C@@H]([N@@H+]2CCC[NH2+]CC2)C[C@H]1C 306526769 345398821 /nfs/dbraw/zinc/39/88/21/345398821.db2.gz VNXXIFXJZXPMLF-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1[C@@H]([N@H+]2CCC[NH2+]CC2)C[C@H]1C 306526769 345398826 /nfs/dbraw/zinc/39/88/26/345398826.db2.gz VNXXIFXJZXPMLF-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[C@@H]([N@@H+]2CCC[NH2+]CC2)[C@@H]1C 306526766 345398981 /nfs/dbraw/zinc/39/89/81/345398981.db2.gz VNXXIFXJZXPMLF-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[C@@H]([N@H+]2CCC[NH2+]CC2)[C@@H]1C 306526766 345398983 /nfs/dbraw/zinc/39/89/83/345398983.db2.gz VNXXIFXJZXPMLF-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[C@H]([N@@H+]2CCC[NH2+]CC2)[C@@H]1C 306526767 345398995 /nfs/dbraw/zinc/39/89/95/345398995.db2.gz VNXXIFXJZXPMLF-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[C@H]([N@H+]2CCC[NH2+]CC2)[C@@H]1C 306526767 345398997 /nfs/dbraw/zinc/39/89/97/345398997.db2.gz VNXXIFXJZXPMLF-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC2(CCCCC2)C1 306530062 345401365 /nfs/dbraw/zinc/40/13/65/345401365.db2.gz CULYOCOZPUPFIS-UHFFFAOYSA-N 2 2 195.310 1.579 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC2(CCCCC2)C1 306530062 345401367 /nfs/dbraw/zinc/40/13/67/345401367.db2.gz CULYOCOZPUPFIS-UHFFFAOYSA-N 2 2 195.310 1.579 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2C=CCCC2)c[nH+]1 306531194 345402957 /nfs/dbraw/zinc/40/29/57/345402957.db2.gz FERRZHYZFCEYHL-JTQLQIEISA-N 2 2 191.278 1.916 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2C=CCCC2)c[nH+]1 306531196 345403160 /nfs/dbraw/zinc/40/31/60/345403160.db2.gz FERRZHYZFCEYHL-SNVBAGLBSA-N 2 2 191.278 1.916 10 0 ADAELP Cc1cc(C[NH+]2CC(C[NH3+])C2)cs1 306531415 345403288 /nfs/dbraw/zinc/40/32/88/345403288.db2.gz AHAFFSNBLDDGNP-UHFFFAOYSA-N 2 2 196.319 1.447 10 0 ADAELP C[NH2+]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 306532138 345403888 /nfs/dbraw/zinc/40/38/88/345403888.db2.gz BGCQCTJMURYTFW-QWRGUYRKSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 306532134 345404163 /nfs/dbraw/zinc/40/41/63/345404163.db2.gz BGCQCTJMURYTFW-GHMZBOCLSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 306532136 345404255 /nfs/dbraw/zinc/40/42/55/345404255.db2.gz BGCQCTJMURYTFW-PHIMTYICSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 306532136 345404258 /nfs/dbraw/zinc/40/42/58/345404258.db2.gz BGCQCTJMURYTFW-PHIMTYICSA-N 2 2 198.354 1.962 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+]1C[C@@H](C)C[C@H]1C 306534460 345406924 /nfs/dbraw/zinc/40/69/24/345406924.db2.gz DSHGWEMYCJTONF-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1C[NH2+][C@H](C)C1 306534530 345406935 /nfs/dbraw/zinc/40/69/35/345406935.db2.gz FBGBXSHBYOODHM-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1C[NH2+][C@H](C)C1 306534530 345406939 /nfs/dbraw/zinc/40/69/39/345406939.db2.gz FBGBXSHBYOODHM-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@H]1C 306534528 345406990 /nfs/dbraw/zinc/40/69/90/345406990.db2.gz FBGBXSHBYOODHM-VLEAKVRGSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@H]1C 306534528 345406991 /nfs/dbraw/zinc/40/69/91/345406991.db2.gz FBGBXSHBYOODHM-VLEAKVRGSA-N 2 2 182.311 1.467 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@@H]1C 306534461 345407046 /nfs/dbraw/zinc/40/70/46/345407046.db2.gz DSHGWEMYCJTONF-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@@H]1C 306534461 345407049 /nfs/dbraw/zinc/40/70/49/345407049.db2.gz DSHGWEMYCJTONF-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H]1C 306534458 345407113 /nfs/dbraw/zinc/40/71/13/345407113.db2.gz DSHGWEMYCJTONF-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H]1C 306534458 345407114 /nfs/dbraw/zinc/40/71/14/345407114.db2.gz DSHGWEMYCJTONF-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@@H]1C 306534529 345407136 /nfs/dbraw/zinc/40/71/36/345407136.db2.gz FBGBXSHBYOODHM-ZDCRXTMVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@@H]1C 306534529 345407139 /nfs/dbraw/zinc/40/71/39/345407139.db2.gz FBGBXSHBYOODHM-ZDCRXTMVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H]2C)C[NH2+]1 306534527 345407172 /nfs/dbraw/zinc/40/71/72/345407172.db2.gz FBGBXSHBYOODHM-DBIOUOCHSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H]2C)C[NH2+]1 306534527 345407175 /nfs/dbraw/zinc/40/71/75/345407175.db2.gz FBGBXSHBYOODHM-DBIOUOCHSA-N 2 2 182.311 1.467 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+]1C[C@@H](C)C[C@@H]1C 306534459 345407258 /nfs/dbraw/zinc/40/72/58/345407258.db2.gz DSHGWEMYCJTONF-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+]1C[C@@H](C)C[C@@H]1C 306534459 345407262 /nfs/dbraw/zinc/40/72/62/345407262.db2.gz DSHGWEMYCJTONF-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCC2(CCC2)C1 306536751 345409522 /nfs/dbraw/zinc/40/95/22/345409522.db2.gz HRMLBYHANNWFOT-MRVPVSSYSA-N 2 2 181.283 1.187 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC2(CCC2)C1 306536752 345409649 /nfs/dbraw/zinc/40/96/49/345409649.db2.gz HRMLBYHANNWFOT-QMMMGPOBSA-N 2 2 181.283 1.187 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCC2(CCC2)C1 306536752 345409651 /nfs/dbraw/zinc/40/96/51/345409651.db2.gz HRMLBYHANNWFOT-QMMMGPOBSA-N 2 2 181.283 1.187 10 0 ADAELP CCC1(C)C[NH+]([C@@H]2CC[NH2+]C2)C1 306537394 345410409 /nfs/dbraw/zinc/41/04/09/345410409.db2.gz ILWMZIJGTYAKTG-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP CCC1(C)C[NH+]([C@H]2CC[NH2+]C2)C1 306537395 345410451 /nfs/dbraw/zinc/41/04/51/345410451.db2.gz ILWMZIJGTYAKTG-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP Cc1c[nH+]ccc1C(C)(C)C[NH3+] 306538274 345411427 /nfs/dbraw/zinc/41/14/27/345411427.db2.gz JMHRSVYZXZVVOH-UHFFFAOYSA-N 2 2 164.252 1.626 10 0 ADAELP Cc1cc(N2CCC2)cc(C[NH3+])[nH+]1 306538717 345412256 /nfs/dbraw/zinc/41/22/56/345412256.db2.gz PISNCCHDSWBINN-UHFFFAOYSA-N 2 2 177.251 1.059 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H](C)C2CCC2)C[N@H+]1C 306538952 345412714 /nfs/dbraw/zinc/41/27/14/345412714.db2.gz MSUUMMNTNOGLJO-UMNHJUIQSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@H]([NH2+][C@H](C)C2CCC2)C[N@@H+]1C 306538952 345412715 /nfs/dbraw/zinc/41/27/15/345412715.db2.gz MSUUMMNTNOGLJO-UMNHJUIQSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H](C)C2CCC2)C[N@H+]1C 306538951 345412773 /nfs/dbraw/zinc/41/27/73/345412773.db2.gz MSUUMMNTNOGLJO-HOSYDEDBSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H](C)C2CCC2)C[N@@H+]1C 306538951 345412778 /nfs/dbraw/zinc/41/27/78/345412778.db2.gz MSUUMMNTNOGLJO-HOSYDEDBSA-N 2 2 196.338 1.857 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@@H]1c1cn(C)c[nH+]1 306540606 345414711 /nfs/dbraw/zinc/41/47/11/345414711.db2.gz PAWTWUIRZVILIB-VHSXEESVSA-N 2 2 193.294 1.666 10 0 ADAELP CC[NH2+][C@H]1CCC[C@@H]1c1cn(C)c[nH+]1 306540605 345414730 /nfs/dbraw/zinc/41/47/30/345414730.db2.gz PAWTWUIRZVILIB-UWVGGRQHSA-N 2 2 193.294 1.666 10 0 ADAELP CC[NH2+][C@@H]1CCC[C@H]1c1cn(C)c[nH+]1 306540604 345414912 /nfs/dbraw/zinc/41/49/12/345414912.db2.gz PAWTWUIRZVILIB-NXEZZACHSA-N 2 2 193.294 1.666 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 306542141 345416096 /nfs/dbraw/zinc/41/60/96/345416096.db2.gz YPJBZNOWPKZJKN-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 306542141 345416099 /nfs/dbraw/zinc/41/60/99/345416099.db2.gz YPJBZNOWPKZJKN-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 306542138 345416233 /nfs/dbraw/zinc/41/62/33/345416233.db2.gz YPJBZNOWPKZJKN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 306542138 345416236 /nfs/dbraw/zinc/41/62/36/345416236.db2.gz YPJBZNOWPKZJKN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 306542140 345416268 /nfs/dbraw/zinc/41/62/68/345416268.db2.gz YPJBZNOWPKZJKN-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 306542140 345416270 /nfs/dbraw/zinc/41/62/70/345416270.db2.gz YPJBZNOWPKZJKN-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 306542139 345416281 /nfs/dbraw/zinc/41/62/81/345416281.db2.gz YPJBZNOWPKZJKN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 306542139 345416284 /nfs/dbraw/zinc/41/62/84/345416284.db2.gz YPJBZNOWPKZJKN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C1C[C@@H]2C[NH2+][C@@H](C[NH+]3CCC3)[C@H]2C1 306543006 345417164 /nfs/dbraw/zinc/41/71/64/345417164.db2.gz VPSCBENCTRGBIJ-VWYCJHECSA-N 2 2 180.295 1.080 10 0 ADAELP C1C[C@@H]2C[NH2+][C@@H](C[NH+]3CCC3)[C@@H]2C1 306543002 345417261 /nfs/dbraw/zinc/41/72/61/345417261.db2.gz VPSCBENCTRGBIJ-MXWKQRLJSA-N 2 2 180.295 1.080 10 0 ADAELP C1C[C@@H]2C[NH2+][C@H](C[NH+]3CCC3)[C@@H]2C1 306543000 345417281 /nfs/dbraw/zinc/41/72/81/345417281.db2.gz VPSCBENCTRGBIJ-GMTAPVOTSA-N 2 2 180.295 1.080 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2[C@H]3CCC[C@H]32)c[nH+]1 306544334 345418267 /nfs/dbraw/zinc/41/82/67/345418267.db2.gz UTCIZRXCRKUSSJ-URLYPYJESA-N 2 2 191.278 1.606 10 0 ADAELP C1CC2(C1)CC[NH+]([C@@H]1CC[NH2+]C1)CC2 306544456 345418730 /nfs/dbraw/zinc/41/87/30/345418730.db2.gz VBOMIJGRQFVNDS-LLVKDONJSA-N 2 2 194.322 1.614 10 0 ADAELP C1CC2(C1)CC[NH+]([C@H]1CC[NH2+]C1)CC2 306544457 345418782 /nfs/dbraw/zinc/41/87/82/345418782.db2.gz VBOMIJGRQFVNDS-NSHDSACASA-N 2 2 194.322 1.614 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1CCCCCCCC1 306544872 345419432 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/nfs/dbraw/zinc/42/65/04/345426504.db2.gz CVDQGHWXJZQHJQ-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[NH+]1CC(C)(C)C1 306550958 345426526 /nfs/dbraw/zinc/42/65/26/345426526.db2.gz CVDQGHWXJZQHJQ-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]([C@@H]1CCC[NH2+]1)[NH+]1CC(C)(C)C1 306550960 345426542 /nfs/dbraw/zinc/42/65/42/345426542.db2.gz CVDQGHWXJZQHJQ-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP Cc1[nH+]cc([C@H]2CC[C@H](C)C[NH2+]2)n1C 306551432 345426912 /nfs/dbraw/zinc/42/69/12/345426912.db2.gz AJQWHDWZPAJEGB-WCBMZHEXSA-N 2 2 193.294 1.789 10 0 ADAELP Cc1[nH+]cc([C@@H]2CC[C@H](C)C[NH2+]2)n1C 306551433 345427052 /nfs/dbraw/zinc/42/70/52/345427052.db2.gz AJQWHDWZPAJEGB-WPRPVWTQSA-N 2 2 193.294 1.789 10 0 ADAELP Cc1[nH+]cc([C@H]2CC[C@@H](C)C[NH2+]2)n1C 306551428 345427238 /nfs/dbraw/zinc/42/72/38/345427238.db2.gz AJQWHDWZPAJEGB-PSASIEDQSA-N 2 2 193.294 1.789 10 0 ADAELP Cc1[nH+]cc([C@@H]2CC[C@@H](C)C[NH2+]2)n1C 306551431 345427262 /nfs/dbraw/zinc/42/72/62/345427262.db2.gz AJQWHDWZPAJEGB-SCZZXKLOSA-N 2 2 193.294 1.789 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1[N@@H+]1CCCC1(C)C 306558841 345434363 /nfs/dbraw/zinc/43/43/63/345434363.db2.gz PHILHBNQUMZBRN-ZJUUUORDSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1[N@H+]1CCCC1(C)C 306558841 345434364 /nfs/dbraw/zinc/43/43/64/345434364.db2.gz PHILHBNQUMZBRN-ZJUUUORDSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1[N@@H+]1CCCC1(C)C 306558838 345434425 /nfs/dbraw/zinc/43/44/25/345434425.db2.gz PHILHBNQUMZBRN-NXEZZACHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1[N@H+]1CCCC1(C)C 306558838 345434427 /nfs/dbraw/zinc/43/44/27/345434427.db2.gz PHILHBNQUMZBRN-NXEZZACHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@@H+]1CCCC1(C)C 306558840 345434676 /nfs/dbraw/zinc/43/46/76/345434676.db2.gz PHILHBNQUMZBRN-VHSXEESVSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@H+]1CCCC1(C)C 306558840 345434678 /nfs/dbraw/zinc/43/46/78/345434678.db2.gz PHILHBNQUMZBRN-VHSXEESVSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@@H+]1CCCC1(C)C 306558839 345434697 /nfs/dbraw/zinc/43/46/97/345434697.db2.gz PHILHBNQUMZBRN-UWVGGRQHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CCCC1(C)C 306558839 345434698 /nfs/dbraw/zinc/43/46/98/345434698.db2.gz PHILHBNQUMZBRN-UWVGGRQHSA-N 2 2 182.311 1.611 10 0 ADAELP CCC1(C)C[NH+](C[C@H](C)[NH3+])C1 306560278 345436311 /nfs/dbraw/zinc/43/63/11/345436311.db2.gz RMAQPVRJLVEYLQ-QMMMGPOBSA-N 2 2 156.273 1.066 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H]1C 306561310 345437069 /nfs/dbraw/zinc/43/70/69/345437069.db2.gz SRNRCEAHDQFEEN-WOPDTQHZSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H]1C 306561310 345437070 /nfs/dbraw/zinc/43/70/70/345437070.db2.gz SRNRCEAHDQFEEN-WOPDTQHZSA-N 2 2 196.338 1.857 10 0 ADAELP CCC1(C)C[NH+](C2(C[NH3+])CCC2)C1 306561273 345437085 /nfs/dbraw/zinc/43/70/85/345437085.db2.gz SNYAKIYZNPLYNH-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H]1C 306561308 345437148 /nfs/dbraw/zinc/43/71/48/345437148.db2.gz SRNRCEAHDQFEEN-SDDRHHMPSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H]1C 306561308 345437151 /nfs/dbraw/zinc/43/71/51/345437151.db2.gz SRNRCEAHDQFEEN-SDDRHHMPSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H]1C 306561307 345437195 /nfs/dbraw/zinc/43/71/95/345437195.db2.gz SRNRCEAHDQFEEN-GRYCIOLGSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H]1C 306561307 345437197 /nfs/dbraw/zinc/43/71/97/345437197.db2.gz SRNRCEAHDQFEEN-GRYCIOLGSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H]1C 306561309 345437286 /nfs/dbraw/zinc/43/72/86/345437286.db2.gz SRNRCEAHDQFEEN-SRVKXCTJSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H]1C 306561309 345437290 /nfs/dbraw/zinc/43/72/90/345437290.db2.gz SRNRCEAHDQFEEN-SRVKXCTJSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CC[N@H+](CC2([NH3+])CCCC2)[C@H]1C 306562105 345437814 /nfs/dbraw/zinc/43/78/14/345437814.db2.gz UFTRWKQVKIBYRE-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@@H+](CC2([NH3+])CCCC2)[C@H]1C 306562105 345437816 /nfs/dbraw/zinc/43/78/16/345437816.db2.gz UFTRWKQVKIBYRE-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1CC1([NH3+])CCCC1 306562104 345437855 /nfs/dbraw/zinc/43/78/55/345437855.db2.gz UFTRWKQVKIBYRE-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1CC1([NH3+])CCCC1 306562104 345437856 /nfs/dbraw/zinc/43/78/56/345437856.db2.gz UFTRWKQVKIBYRE-MNOVXSKESA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@H+](CC2([NH3+])CCCC2)[C@@H]1C 306562106 345437997 /nfs/dbraw/zinc/43/79/97/345437997.db2.gz UFTRWKQVKIBYRE-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CC[N@@H+](CC2([NH3+])CCCC2)[C@@H]1C 306562106 345437998 /nfs/dbraw/zinc/43/79/98/345437998.db2.gz UFTRWKQVKIBYRE-WDEREUQCSA-N 2 2 196.338 1.988 10 0 ADAELP [NH3+]CC1C[NH+](Cc2cccs2)C1 306562863 345438544 /nfs/dbraw/zinc/43/85/44/345438544.db2.gz UXIDWSHGEYDLBI-UHFFFAOYSA-N 2 2 182.292 1.139 10 0 ADAELP CCn1c[nH+]c([C@@H]2CC[NH2+][C@@H](C)C2)c1 306563451 345439606 /nfs/dbraw/zinc/43/96/06/345439606.db2.gz PJQDRESODSMVHB-VHSXEESVSA-N 2 2 193.294 1.759 10 0 ADAELP CCn1c[nH+]c([C@H]2CC[NH2+][C@H](C)C2)c1 306563453 345439608 /nfs/dbraw/zinc/43/96/08/345439608.db2.gz PJQDRESODSMVHB-ZJUUUORDSA-N 2 2 193.294 1.759 10 0 ADAELP CCn1c[nH+]c([C@H]2CC[NH2+][C@@H](C)C2)c1 306563450 345439629 /nfs/dbraw/zinc/43/96/29/345439629.db2.gz PJQDRESODSMVHB-UWVGGRQHSA-N 2 2 193.294 1.759 10 0 ADAELP C[C@H]1[C@H]([NH2+][C@H]2CC[C@H]2C)CCC[N@@H+]1C 306567995 345444695 /nfs/dbraw/zinc/44/46/95/345444695.db2.gz TYXRGEVUQUWBGD-NOOOWODRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1[C@@H]([NH2+][C@H]2CC[C@H]2C)CCC[N@@H+]1C 306567996 345444764 /nfs/dbraw/zinc/44/47/64/345444764.db2.gz TYXRGEVUQUWBGD-RHYQMDGZSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1[C@@H]([NH2+][C@H]2CC[C@H]2C)CCC[N@H+]1C 306567996 345444765 /nfs/dbraw/zinc/44/47/65/345444765.db2.gz TYXRGEVUQUWBGD-RHYQMDGZSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C 306567999 345444830 /nfs/dbraw/zinc/44/48/30/345444830.db2.gz TYXRGEVUQUWBGD-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C 306567999 345444832 /nfs/dbraw/zinc/44/48/32/345444832.db2.gz TYXRGEVUQUWBGD-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C 306567998 345444862 /nfs/dbraw/zinc/44/48/62/345444862.db2.gz TYXRGEVUQUWBGD-WISYIIOYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C 306567998 345444864 /nfs/dbraw/zinc/44/48/64/345444864.db2.gz TYXRGEVUQUWBGD-WISYIIOYSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)C1([N@@H+]2CC[NH2+]C[C@@H](C)C2)CC1 306569876 345446619 /nfs/dbraw/zinc/44/66/19/345446619.db2.gz XNUCLYZFOUJWMJ-LLVKDONJSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C1([N@H+]2CC[NH2+]C[C@@H](C)C2)CC1 306569876 345446622 /nfs/dbraw/zinc/44/66/22/345446622.db2.gz XNUCLYZFOUJWMJ-LLVKDONJSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C1([N@@H+]2CC[NH2+]C[C@H](C)C2)CC1 306569877 345446633 /nfs/dbraw/zinc/44/66/33/345446633.db2.gz XNUCLYZFOUJWMJ-NSHDSACASA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)C1([N@H+]2CC[NH2+]C[C@H](C)C2)CC1 306569877 345446636 /nfs/dbraw/zinc/44/66/36/345446636.db2.gz XNUCLYZFOUJWMJ-NSHDSACASA-N 2 2 196.338 1.716 10 0 ADAELP CCC1(C)C[NH+]([C@H](C)[C@@H]2CCC[NH2+]2)C1 306571237 345448385 /nfs/dbraw/zinc/44/83/85/345448385.db2.gz FWEYIJGMXTURTM-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(C)C[NH+]([C@@H](C)[C@@H]2CCC[NH2+]2)C1 306571238 345448466 /nfs/dbraw/zinc/44/84/66/345448466.db2.gz FWEYIJGMXTURTM-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(C)C[NH+]([C@@H](C)[C@H]2CCC[NH2+]2)C1 306571240 345448533 /nfs/dbraw/zinc/44/85/33/345448533.db2.gz FWEYIJGMXTURTM-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(C)C[NH+]([C@H](C)[C@H]2CCC[NH2+]2)C1 306571235 345448585 /nfs/dbraw/zinc/44/85/85/345448585.db2.gz FWEYIJGMXTURTM-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@]1([C@@H]2CC[NH2+]C2)[NH2+]CCCS1 306574452 345451160 /nfs/dbraw/zinc/45/11/60/345451160.db2.gz IGFNMRHWRAERBV-BDAKNGLRSA-N 2 2 186.324 1.039 10 0 ADAELP C[C@@]1([C@H]2CC[NH2+]C2)[NH2+]CCCS1 306574453 345451395 /nfs/dbraw/zinc/45/13/95/345451395.db2.gz IGFNMRHWRAERBV-DTWKUNHWSA-N 2 2 186.324 1.039 10 0 ADAELP C[C@@]1([C@@H]2CC[NH2+]C2)[NH2+]CCCS1 306574455 345451456 /nfs/dbraw/zinc/45/14/56/345451456.db2.gz IGFNMRHWRAERBV-RKDXNWHRSA-N 2 2 186.324 1.039 10 0 ADAELP C[C@]1([C@H]2CC[NH2+]C2)[NH2+]CCCS1 306574454 345451538 /nfs/dbraw/zinc/45/15/38/345451538.db2.gz IGFNMRHWRAERBV-IUCAKERBSA-N 2 2 186.324 1.039 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306579228 345456234 /nfs/dbraw/zinc/45/62/34/345456234.db2.gz MTFYSZZQGSLIQG-VLEAKVRGSA-N 2 2 180.295 1.079 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306579228 345456238 /nfs/dbraw/zinc/45/62/38/345456238.db2.gz MTFYSZZQGSLIQG-VLEAKVRGSA-N 2 2 180.295 1.079 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306579069 345456266 /nfs/dbraw/zinc/45/62/66/345456266.db2.gz MTFYSZZQGSLIQG-LMLFDSFASA-N 2 2 180.295 1.079 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306579069 345456269 /nfs/dbraw/zinc/45/62/69/345456269.db2.gz MTFYSZZQGSLIQG-LMLFDSFASA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@@H]1CCn1cc[nH+]c1 306584357 345461369 /nfs/dbraw/zinc/46/13/69/345461369.db2.gz RRBZOBYTRVOLFQ-GHMZBOCLSA-N 2 2 193.294 1.519 10 0 ADAELP C[C@H]1C[NH2+]CC[C@@H]1CCn1cc[nH+]c1 306584360 345461479 /nfs/dbraw/zinc/46/14/79/345461479.db2.gz RRBZOBYTRVOLFQ-WDEREUQCSA-N 2 2 193.294 1.519 10 0 ADAELP C[C@H]1C[NH2+]CC[C@H]1CCn1cc[nH+]c1 306584359 345461544 /nfs/dbraw/zinc/46/15/44/345461544.db2.gz RRBZOBYTRVOLFQ-QWRGUYRKSA-N 2 2 193.294 1.519 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@H]1CCn1cc[nH+]c1 306584358 345461625 /nfs/dbraw/zinc/46/16/25/345461625.db2.gz RRBZOBYTRVOLFQ-MNOVXSKESA-N 2 2 193.294 1.519 10 0 ADAELP CC[C@]1(C)C[C@H]1[N@@H+]1CC[NH2+]C[C@@H](C)C1 306587557 345464448 /nfs/dbraw/zinc/46/44/48/345464448.db2.gz UYQKAKJIPKDPIM-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@]1(C)C[C@H]1[N@H+]1CC[NH2+]C[C@@H](C)C1 306587557 345464450 /nfs/dbraw/zinc/46/44/50/345464450.db2.gz UYQKAKJIPKDPIM-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@@H]1C[C@H](n2cc[nH+]c2)CC[NH2+]1 306587502 345464509 /nfs/dbraw/zinc/46/45/09/345464509.db2.gz MLLNJBXVGMECHM-NXEZZACHSA-N 2 2 179.267 1.586 10 0 ADAELP CC[C@@H]1C[C@@H](n2cc[nH+]c2)CC[NH2+]1 306587505 345464549 /nfs/dbraw/zinc/46/45/49/345464549.db2.gz MLLNJBXVGMECHM-ZJUUUORDSA-N 2 2 179.267 1.586 10 0 ADAELP CC[C@]1(C)C[C@@H]1[N@@H+]1CC[NH2+]C[C@H](C)C1 306587559 345464602 /nfs/dbraw/zinc/46/46/02/345464602.db2.gz UYQKAKJIPKDPIM-SDDRHHMPSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@]1(C)C[C@@H]1[N@H+]1CC[NH2+]C[C@H](C)C1 306587559 345464604 /nfs/dbraw/zinc/46/46/04/345464604.db2.gz UYQKAKJIPKDPIM-SDDRHHMPSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@]1(C)C[C@@H]1[N@H+]1CC[NH2+]C[C@@H](C)C1 306587556 345464696 /nfs/dbraw/zinc/46/46/96/345464696.db2.gz UYQKAKJIPKDPIM-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H]1C[C@@H](n2cc[nH+]c2)CC[NH2+]1 306587503 345464711 /nfs/dbraw/zinc/46/47/11/345464711.db2.gz MLLNJBXVGMECHM-UWVGGRQHSA-N 2 2 179.267 1.586 10 0 ADAELP CC[C@H]1C[C@H](n2cc[nH+]c2)CC[NH2+]1 306587504 345464728 /nfs/dbraw/zinc/46/47/28/345464728.db2.gz MLLNJBXVGMECHM-VHSXEESVSA-N 2 2 179.267 1.586 10 0 ADAELP CC[C@]1(C)C[C@H]1[N@@H+]1CC[NH2+]C[C@H](C)C1 306587558 345464751 /nfs/dbraw/zinc/46/47/51/345464751.db2.gz UYQKAKJIPKDPIM-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@]1(C)C[C@H]1[N@H+]1CC[NH2+]C[C@H](C)C1 306587558 345464754 /nfs/dbraw/zinc/46/47/54/345464754.db2.gz UYQKAKJIPKDPIM-QJPTWQEYSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 306589366 345466210 /nfs/dbraw/zinc/46/62/10/345466210.db2.gz UHBOVIHVDMLUFE-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 306589366 345466211 /nfs/dbraw/zinc/46/62/11/345466211.db2.gz UHBOVIHVDMLUFE-AXFHLTTASA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 306589367 345466294 /nfs/dbraw/zinc/46/62/94/345466294.db2.gz UHBOVIHVDMLUFE-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 306589367 345466297 /nfs/dbraw/zinc/46/62/97/345466297.db2.gz UHBOVIHVDMLUFE-DCAQKATOSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 306589368 345466440 /nfs/dbraw/zinc/46/64/40/345466440.db2.gz UHBOVIHVDMLUFE-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 306589368 345466443 /nfs/dbraw/zinc/46/64/43/345466443.db2.gz UHBOVIHVDMLUFE-GARJFASQSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 306589369 345466476 /nfs/dbraw/zinc/46/64/76/345466476.db2.gz UHBOVIHVDMLUFE-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@H+]1C[C@H]([NH3+])CC[C@H]1C 306589369 345466479 /nfs/dbraw/zinc/46/64/79/345466479.db2.gz UHBOVIHVDMLUFE-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[NH+]1CC2(CCCC2)C1 306590753 345468212 /nfs/dbraw/zinc/46/82/12/345468212.db2.gz AIXSBIRDQYCGLJ-MNOVXSKESA-N 2 2 194.322 1.470 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[NH+]1CC2(CCCC2)C1 306590752 345468216 /nfs/dbraw/zinc/46/82/16/345468216.db2.gz AIXSBIRDQYCGLJ-GHMZBOCLSA-N 2 2 194.322 1.470 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[NH+]1CC2(CCCC2)C1 306590755 345468278 /nfs/dbraw/zinc/46/82/78/345468278.db2.gz AIXSBIRDQYCGLJ-WDEREUQCSA-N 2 2 194.322 1.470 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[NH+]1CC2(CCCC2)C1 306590754 345468307 /nfs/dbraw/zinc/46/83/07/345468307.db2.gz AIXSBIRDQYCGLJ-QWRGUYRKSA-N 2 2 194.322 1.470 10 0 ADAELP Cc1cc([C@@H]([NH3+])CC[NH3+])oc1C 306595269 345471717 /nfs/dbraw/zinc/47/17/17/345471717.db2.gz XUDCRUIUOPMTLQ-QMMMGPOBSA-N 2 2 168.240 1.245 10 0 ADAELP Cc1cc([C@H]([NH3+])CC[NH3+])oc1C 306595268 345471745 /nfs/dbraw/zinc/47/17/45/345471745.db2.gz XUDCRUIUOPMTLQ-MRVPVSSYSA-N 2 2 168.240 1.245 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@@]1(C)CCC[NH2+]1 306597044 345473162 /nfs/dbraw/zinc/47/31/62/345473162.db2.gz VVROXDOMXWUHEC-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@@]1(C)CCC[NH2+]1 306597044 345473165 /nfs/dbraw/zinc/47/31/65/345473165.db2.gz VVROXDOMXWUHEC-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@@]1(C)CCC[NH2+]1 306597048 345473215 /nfs/dbraw/zinc/47/32/15/345473215.db2.gz VVROXDOMXWUHEC-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@@]1(C)CCC[NH2+]1 306597048 345473217 /nfs/dbraw/zinc/47/32/17/345473217.db2.gz VVROXDOMXWUHEC-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@]1(C)CCC[NH2+]1 306597050 345473407 /nfs/dbraw/zinc/47/34/07/345473407.db2.gz VVROXDOMXWUHEC-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@]1(C)CCC[NH2+]1 306597050 345473410 /nfs/dbraw/zinc/47/34/10/345473410.db2.gz VVROXDOMXWUHEC-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@]1(C)CCC[NH2+]1 306597047 345473495 /nfs/dbraw/zinc/47/34/95/345473495.db2.gz VVROXDOMXWUHEC-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccns1 306597547 345473799 /nfs/dbraw/zinc/47/37/99/345473799.db2.gz ZOZXYFMFLUUDRQ-ZETCQYMHSA-N 2 2 194.263 1.040 10 0 ADAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccns1 306597546 345474018 /nfs/dbraw/zinc/47/40/18/345474018.db2.gz ZOZXYFMFLUUDRQ-SSDOTTSWSA-N 2 2 194.263 1.040 10 0 ADAELP CCC[NH+]1CC(N2CCCC2=[NH2+])C1 306598463 345474391 /nfs/dbraw/zinc/47/43/91/345474391.db2.gz PROWJCLRBQVNRH-UHFFFAOYSA-N 2 2 181.283 1.154 10 0 ADAELP CC(C)CC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 306598966 345475347 /nfs/dbraw/zinc/47/53/47/345475347.db2.gz QPOYGFRLBOAPPG-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 306598966 345475349 /nfs/dbraw/zinc/47/53/49/345475349.db2.gz QPOYGFRLBOAPPG-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CCC[NH2+][C@@H]1C 306602646 345478348 /nfs/dbraw/zinc/47/83/48/345478348.db2.gz CVKTUKMBGULJBL-WISYIIOYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCC[NH2+][C@@H]1C 306602646 345478351 /nfs/dbraw/zinc/47/83/51/345478351.db2.gz CVKTUKMBGULJBL-WISYIIOYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CC[C@@H](C)[C@H]1C 306602647 345478387 /nfs/dbraw/zinc/47/83/87/345478387.db2.gz CVKTUKMBGULJBL-WRWGMCAJSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CC[C@@H](C)[C@H]1C 306602647 345478390 /nfs/dbraw/zinc/47/83/90/345478390.db2.gz CVKTUKMBGULJBL-WRWGMCAJSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CC[C@@H](C)[C@@H]1C 306602645 345478546 /nfs/dbraw/zinc/47/85/46/345478546.db2.gz CVKTUKMBGULJBL-NOOOWODRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CC[C@@H](C)[C@@H]1C 306602645 345478550 /nfs/dbraw/zinc/47/85/50/345478550.db2.gz CVKTUKMBGULJBL-NOOOWODRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 306602644 345478820 /nfs/dbraw/zinc/47/88/20/345478820.db2.gz CVKTUKMBGULJBL-DDHJBXDOSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 306602644 345478824 /nfs/dbraw/zinc/47/88/24/345478824.db2.gz CVKTUKMBGULJBL-DDHJBXDOSA-N 2 2 196.338 1.857 10 0 ADAELP [NH3+][C@@H]1CC[N@H+](CC2=CCCC2)C1 306605849 345481088 /nfs/dbraw/zinc/48/10/88/345481088.db2.gz GNKSCFUOVQZFNL-SNVBAGLBSA-N 2 2 166.268 1.130 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+](CC2=CCCC2)C1 306605849 345481092 /nfs/dbraw/zinc/48/10/92/345481092.db2.gz GNKSCFUOVQZFNL-SNVBAGLBSA-N 2 2 166.268 1.130 10 0 ADAELP [NH3+][C@H]1CC[N@H+](CC2=CCCC2)C1 306605848 345481189 /nfs/dbraw/zinc/48/11/89/345481189.db2.gz GNKSCFUOVQZFNL-JTQLQIEISA-N 2 2 166.268 1.130 10 0 ADAELP [NH3+][C@H]1CC[N@@H+](CC2=CCCC2)C1 306605848 345481194 /nfs/dbraw/zinc/48/11/94/345481194.db2.gz GNKSCFUOVQZFNL-JTQLQIEISA-N 2 2 166.268 1.130 10 0 ADAELP C[C@H]1C[NH2+]C[C@H](c2[nH]cc[nH+]2)C1 306609062 345483197 /nfs/dbraw/zinc/48/31/97/345483197.db2.gz JVZGTGXFCVSXEG-HTQZYQBOSA-N 2 2 165.240 1.123 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H](c2[nH]cc[nH+]2)C1 306609063 345483226 /nfs/dbraw/zinc/48/32/26/345483226.db2.gz JVZGTGXFCVSXEG-JGVFFNPUSA-N 2 2 165.240 1.123 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H](c2[nH]cc[nH+]2)C1 306609065 345483277 /nfs/dbraw/zinc/48/32/77/345483277.db2.gz JVZGTGXFCVSXEG-YUMQZZPRSA-N 2 2 165.240 1.123 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H](c2[nH]cc[nH+]2)C1 306609064 345483348 /nfs/dbraw/zinc/48/33/48/345483348.db2.gz JVZGTGXFCVSXEG-SFYZADRCSA-N 2 2 165.240 1.123 10 0 ADAELP Cc1[nH+]cn(C[C@H](C)[NH+](C)C)c1C 306614859 345488218 /nfs/dbraw/zinc/48/82/18/345488218.db2.gz MFCIIDOJJOWLNY-QMMMGPOBSA-N 2 2 181.283 1.450 10 0 ADAELP Cc1[nH+]cn(C[C@@H](C)[NH+](C)C)c1C 306614858 345488337 /nfs/dbraw/zinc/48/83/37/345488337.db2.gz MFCIIDOJJOWLNY-MRVPVSSYSA-N 2 2 181.283 1.450 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1sccc1Cl 306619605 345492824 /nfs/dbraw/zinc/49/28/24/345492824.db2.gz VLRPWEPHURWVFZ-LURJTMIESA-N 2 2 190.699 1.621 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1sccc1Cl 306619606 345493113 /nfs/dbraw/zinc/49/31/13/345493113.db2.gz VLRPWEPHURWVFZ-ZCFIWIBFSA-N 2 2 190.699 1.621 10 0 ADAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccsn1 306625179 345496948 /nfs/dbraw/zinc/49/69/48/345496948.db2.gz GHXVLTFLHCRSJJ-SSDOTTSWSA-N 2 2 194.263 1.040 10 0 ADAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccsn1 306625180 345496999 /nfs/dbraw/zinc/49/69/99/345496999.db2.gz GHXVLTFLHCRSJJ-ZETCQYMHSA-N 2 2 194.263 1.040 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@]12[NH2+][C@H](C)CS2 306626520 345498171 /nfs/dbraw/zinc/49/81/71/345498171.db2.gz YXJLWDGGGARNSS-HRDYMLBCSA-N 2 2 186.324 1.180 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@]12[NH2+][C@H](C)CS2 306626522 345498214 /nfs/dbraw/zinc/49/82/14/345498214.db2.gz YXJLWDGGGARNSS-VGMNWLOBSA-N 2 2 186.324 1.180 10 0 ADAELP C[C@@H]1CS[C@]2(CCC[NH2+][C@@H]2C)[NH2+]1 306626519 345498229 /nfs/dbraw/zinc/49/82/29/345498229.db2.gz YXJLWDGGGARNSS-HLTSFMKQSA-N 2 2 186.324 1.180 10 0 ADAELP C[NH2+][C@@H](c1c[nH+]c(C)n1C)C1CC1 306638050 345506119 /nfs/dbraw/zinc/50/61/19/345506119.db2.gz BRGGUBSATZMGPG-SNVBAGLBSA-N 2 2 179.267 1.399 10 0 ADAELP C[NH2+][C@H](c1c[nH+]c(C)n1C)C1CC1 306638046 345506192 /nfs/dbraw/zinc/50/61/92/345506192.db2.gz BRGGUBSATZMGPG-JTQLQIEISA-N 2 2 179.267 1.399 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@H+](C)C(C)(C)C 306638375 345506647 /nfs/dbraw/zinc/50/66/47/345506647.db2.gz BZRFJFOKWLLWHW-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[N@@H+](C)C(C)(C)C 306638375 345506649 /nfs/dbraw/zinc/50/66/49/345506649.db2.gz BZRFJFOKWLLWHW-UWVGGRQHSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@H+](C)C(C)(C)C 306638380 345506664 /nfs/dbraw/zinc/50/66/64/345506664.db2.gz BZRFJFOKWLLWHW-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[N@@H+](C)C(C)(C)C 306638380 345506666 /nfs/dbraw/zinc/50/66/66/345506666.db2.gz BZRFJFOKWLLWHW-VHSXEESVSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+](C)C(C)(C)C 306638385 345506730 /nfs/dbraw/zinc/50/67/30/345506730.db2.gz BZRFJFOKWLLWHW-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+](C)C(C)(C)C 306638385 345506734 /nfs/dbraw/zinc/50/67/34/345506734.db2.gz BZRFJFOKWLLWHW-ZJUUUORDSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@H+](C)C(C)(C)C 306638370 345506883 /nfs/dbraw/zinc/50/68/83/345506883.db2.gz BZRFJFOKWLLWHW-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[N@@H+](C)C(C)(C)C 306638370 345506886 /nfs/dbraw/zinc/50/68/86/345506886.db2.gz BZRFJFOKWLLWHW-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]([N@H+](C)[C@H]1CCC[C@@H]1[NH3+])C1(C)CC1 306641314 345509338 /nfs/dbraw/zinc/50/93/38/345509338.db2.gz QKTXNBBJUKBHER-DCAQKATOSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([N@@H+](C)[C@H]1CCC[C@@H]1[NH3+])C1(C)CC1 306641314 345509339 /nfs/dbraw/zinc/50/93/39/345509339.db2.gz QKTXNBBJUKBHER-DCAQKATOSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([N@H+](C)[C@H]1CCC[C@H]1[NH3+])C1(C)CC1 306641313 345509491 /nfs/dbraw/zinc/50/94/91/345509491.db2.gz QKTXNBBJUKBHER-AXFHLTTASA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([N@@H+](C)[C@H]1CCC[C@H]1[NH3+])C1(C)CC1 306641313 345509494 /nfs/dbraw/zinc/50/94/94/345509494.db2.gz QKTXNBBJUKBHER-AXFHLTTASA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([N@H+](C)[C@@H]1CCC[C@@H]1[NH3+])C1(C)CC1 306641315 345509502 /nfs/dbraw/zinc/50/95/02/345509502.db2.gz QKTXNBBJUKBHER-GARJFASQSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([N@@H+](C)[C@@H]1CCC[C@@H]1[NH3+])C1(C)CC1 306641315 345509505 /nfs/dbraw/zinc/50/95/05/345509505.db2.gz QKTXNBBJUKBHER-GARJFASQSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([N@H+](C)[C@@H]1CCC[C@H]1[NH3+])C1(C)CC1 306641316 345509528 /nfs/dbraw/zinc/50/95/28/345509528.db2.gz QKTXNBBJUKBHER-HBNTYKKESA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]([N@@H+](C)[C@@H]1CCC[C@H]1[NH3+])C1(C)CC1 306641316 345509531 /nfs/dbraw/zinc/50/95/31/345509531.db2.gz QKTXNBBJUKBHER-HBNTYKKESA-N 2 2 196.338 1.987 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 306652973 345519712 /nfs/dbraw/zinc/51/97/12/345519712.db2.gz GQUUWIHJBPZLGN-IJLUTSLNSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 306652973 345519714 /nfs/dbraw/zinc/51/97/14/345519714.db2.gz GQUUWIHJBPZLGN-IJLUTSLNSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 306652974 345519772 /nfs/dbraw/zinc/51/97/72/345519772.db2.gz GQUUWIHJBPZLGN-QJPTWQEYSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 306652974 345519775 /nfs/dbraw/zinc/51/97/75/345519775.db2.gz GQUUWIHJBPZLGN-QJPTWQEYSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 306652976 345519887 /nfs/dbraw/zinc/51/98/87/345519887.db2.gz GQUUWIHJBPZLGN-UTUOFQBUSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 306652976 345519889 /nfs/dbraw/zinc/51/98/89/345519889.db2.gz GQUUWIHJBPZLGN-UTUOFQBUSA-N 2 2 198.354 1.948 10 0 ADAELP Cn1c[nH+]cc1CN1CCCCC1=[NH2+] 306653768 345519925 /nfs/dbraw/zinc/51/99/25/345519925.db2.gz GWORCZQWVJLNDG-UHFFFAOYSA-N 2 2 192.266 1.383 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 306652975 345519955 /nfs/dbraw/zinc/51/99/55/345519955.db2.gz GQUUWIHJBPZLGN-TUAOUCFPSA-N 2 2 198.354 1.948 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1CC1CCC1 306659570 345524462 /nfs/dbraw/zinc/52/44/62/345524462.db2.gz LTZJZVQEZIOOGB-KOLCDFICSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1CC1CCC1 306659570 345524464 /nfs/dbraw/zinc/52/44/64/345524464.db2.gz LTZJZVQEZIOOGB-KOLCDFICSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1CC1CCC1 306659725 345524476 /nfs/dbraw/zinc/52/44/76/345524476.db2.gz LTZJZVQEZIOOGB-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1CC1CCC1 306659571 345524632 /nfs/dbraw/zinc/52/46/32/345524632.db2.gz LTZJZVQEZIOOGB-MWLCHTKSSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1CC1CCC1 306659569 345524774 /nfs/dbraw/zinc/52/47/74/345524774.db2.gz LTZJZVQEZIOOGB-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1[C@H]([NH3+])CCC[N@H+]1CC1CCC1 306659569 345524776 /nfs/dbraw/zinc/52/47/76/345524776.db2.gz LTZJZVQEZIOOGB-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 306661025 345525722 /nfs/dbraw/zinc/52/57/22/345525722.db2.gz NPFZJQDDVVAPJY-DBIOUOCHSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 306661025 345525725 /nfs/dbraw/zinc/52/57/25/345525725.db2.gz NPFZJQDDVVAPJY-DBIOUOCHSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H]([NH3+])[C@H]1C 306661028 345525755 /nfs/dbraw/zinc/52/57/55/345525755.db2.gz NPFZJQDDVVAPJY-ZNSHCXBVSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1[C@H]([NH3+])CCC[N@H+]1[C@H]1CC[C@H]1C 306661027 345525780 /nfs/dbraw/zinc/52/57/80/345525780.db2.gz NPFZJQDDVVAPJY-YTWAJWBKSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1[C@H]1CC[C@H]1C 306661027 345525783 /nfs/dbraw/zinc/52/57/83/345525783.db2.gz NPFZJQDDVVAPJY-YTWAJWBKSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1[C@H]1CC[C@H]1C 306661026 345525892 /nfs/dbraw/zinc/52/58/92/345525892.db2.gz NPFZJQDDVVAPJY-RCWTZXSCSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1[C@H]1CC[C@H]1C 306661026 345525895 /nfs/dbraw/zinc/52/58/95/345525895.db2.gz NPFZJQDDVVAPJY-RCWTZXSCSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)CC1(C)C 306670151 345532410 /nfs/dbraw/zinc/53/24/10/345532410.db2.gz XIHRFCWJNZYSEK-IUCAKERBSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)CC1(C)C 306670151 345532413 /nfs/dbraw/zinc/53/24/13/345532413.db2.gz XIHRFCWJNZYSEK-IUCAKERBSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)CC1(C)C 306670149 345532626 /nfs/dbraw/zinc/53/26/26/345532626.db2.gz XIHRFCWJNZYSEK-BDAKNGLRSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@H](C)CC1(C)C 306670149 345532627 /nfs/dbraw/zinc/53/26/27/345532627.db2.gz XIHRFCWJNZYSEK-BDAKNGLRSA-N 2 2 170.300 1.454 10 0 ADAELP Cc1c(N)cc[nH+]c1C[NH+](C)C 306671724 345533189 /nfs/dbraw/zinc/53/31/89/345533189.db2.gz ZGTIFZOAYCHUSJ-UHFFFAOYSA-N 2 2 165.240 1.034 10 0 ADAELP CCn1cc[nH+]c1[C@H]1C[NH2+][C@H](C)C1 306672121 345533839 /nfs/dbraw/zinc/53/38/39/345533839.db2.gz ZZIDONFAYWTLQZ-RKDXNWHRSA-N 2 2 179.267 1.368 10 0 ADAELP CCn1cc[nH+]c1[C@H]1C[NH2+][C@@H](C)C1 306672119 345533857 /nfs/dbraw/zinc/53/38/57/345533857.db2.gz ZZIDONFAYWTLQZ-DTWKUNHWSA-N 2 2 179.267 1.368 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+][C@@H](C)C1 306672120 345533944 /nfs/dbraw/zinc/53/39/44/345533944.db2.gz ZZIDONFAYWTLQZ-IUCAKERBSA-N 2 2 179.267 1.368 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+][C@H](C)C1 306672118 345533978 /nfs/dbraw/zinc/53/39/78/345533978.db2.gz ZZIDONFAYWTLQZ-BDAKNGLRSA-N 2 2 179.267 1.368 10 0 ADAELP CC1(C)CC([N@@H+]2CCC[NH2+]CC2)C1 306672872 345534414 /nfs/dbraw/zinc/53/44/14/345534414.db2.gz BLJONVMNAHLDIK-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC1(C)CC([N@H+]2CCC[NH2+]CC2)C1 306672872 345534416 /nfs/dbraw/zinc/53/44/16/345534416.db2.gz BLJONVMNAHLDIK-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CCC1([N@@H+]2CC[NH2+]C[C@@H](C)C2)CC1 306684479 345545556 /nfs/dbraw/zinc/54/55/56/345545556.db2.gz IFNBTMRCDCXLBB-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CCC1([N@H+]2CC[NH2+]C[C@@H](C)C2)CC1 306684479 345545558 /nfs/dbraw/zinc/54/55/58/345545558.db2.gz IFNBTMRCDCXLBB-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CCC1([N@@H+]2CC[NH2+]C[C@H](C)C2)CC1 306684478 345545787 /nfs/dbraw/zinc/54/57/87/345545787.db2.gz IFNBTMRCDCXLBB-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CCC1([N@H+]2CC[NH2+]C[C@H](C)C2)CC1 306684478 345545789 /nfs/dbraw/zinc/54/57/89/345545789.db2.gz IFNBTMRCDCXLBB-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H]1C[C@@H](C)C[N@@H+]1[C@H]1CC[NH2+]C1 306686046 345546846 /nfs/dbraw/zinc/54/68/46/345546846.db2.gz JTNJSNSPNULPSN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[NH2+]C1 306686046 345546847 /nfs/dbraw/zinc/54/68/47/345546847.db2.gz JTNJSNSPNULPSN-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CCn1c[nH+]c([C@@H]2CC[C@@H]2[NH3+])c1 306686433 345546911 /nfs/dbraw/zinc/54/69/11/345546911.db2.gz GFHIAFUFTMCOHK-SFYZADRCSA-N 2 2 165.240 1.108 10 0 ADAELP CCn1c[nH+]c([C@@H]2CC[C@H]2[NH3+])c1 306686431 345546919 /nfs/dbraw/zinc/54/69/19/345546919.db2.gz GFHIAFUFTMCOHK-HTQZYQBOSA-N 2 2 165.240 1.108 10 0 ADAELP CC[C@@H]1C[C@H](C)C[N@@H+]1[C@H]1CC[NH2+]C1 306686039 345546989 /nfs/dbraw/zinc/54/69/89/345546989.db2.gz JTNJSNSPNULPSN-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@H](C)C[N@H+]1[C@H]1CC[NH2+]C1 306686039 345546993 /nfs/dbraw/zinc/54/69/93/345546993.db2.gz JTNJSNSPNULPSN-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP CCn1c[nH+]c([C@H]2CC[C@@H]2[NH3+])c1 306686434 345546999 /nfs/dbraw/zinc/54/69/99/345546999.db2.gz GFHIAFUFTMCOHK-YUMQZZPRSA-N 2 2 165.240 1.108 10 0 ADAELP CC[C@@H]1C[C@H](C)C[N@@H+]1[C@@H]1CC[NH2+]C1 306686042 345547049 /nfs/dbraw/zinc/54/70/49/345547049.db2.gz JTNJSNSPNULPSN-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@H](C)C[N@H+]1[C@@H]1CC[NH2+]C1 306686042 345547050 /nfs/dbraw/zinc/54/70/50/345547050.db2.gz JTNJSNSPNULPSN-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@@H](C)C[N@@H+]1[C@@H]1CC[NH2+]C1 306686040 345547082 /nfs/dbraw/zinc/54/70/82/345547082.db2.gz JTNJSNSPNULPSN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[NH2+]C1 306686040 345547087 /nfs/dbraw/zinc/54/70/87/345547087.db2.gz JTNJSNSPNULPSN-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CCn1c[nH+]c([C@H]2CC[C@H]2[NH3+])c1 306686432 345547221 /nfs/dbraw/zinc/54/72/21/345547221.db2.gz GFHIAFUFTMCOHK-JGVFFNPUSA-N 2 2 165.240 1.108 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]2)[C@@H]1C 306698009 345553620 /nfs/dbraw/zinc/55/36/20/345553620.db2.gz CWOBSFXQXRRJGJ-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]2)[C@@H]1C 306698009 345553624 /nfs/dbraw/zinc/55/36/24/345553624.db2.gz CWOBSFXQXRRJGJ-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1C[C@H]1CC[NH2+]1 306698007 345553720 /nfs/dbraw/zinc/55/37/20/345553720.db2.gz CWOBSFXQXRRJGJ-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]2)[C@@H]1C 306698005 345553740 /nfs/dbraw/zinc/55/37/40/345553740.db2.gz CWOBSFXQXRRJGJ-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]2)[C@@H]1C 306698005 345553744 /nfs/dbraw/zinc/55/37/44/345553744.db2.gz CWOBSFXQXRRJGJ-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CC[NH2+]1 306698011 345553821 /nfs/dbraw/zinc/55/38/21/345553821.db2.gz CWOBSFXQXRRJGJ-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[NH2+]1 306698011 345553823 /nfs/dbraw/zinc/55/38/23/345553823.db2.gz CWOBSFXQXRRJGJ-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP Cc1cc(C2(O)CC([NH3+])C2)c[nH+]c1C 306701328 345556156 /nfs/dbraw/zinc/55/61/56/345556156.db2.gz GQEDBLUSZSSKQO-UHFFFAOYSA-N 2 2 192.262 1.007 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCC[NH2+]1 306704568 345558496 /nfs/dbraw/zinc/55/84/96/345558496.db2.gz NQTZTTOQPGWOTD-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]1 306704568 345558498 /nfs/dbraw/zinc/55/84/98/345558498.db2.gz NQTZTTOQPGWOTD-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 306704567 345558549 /nfs/dbraw/zinc/55/85/49/345558549.db2.gz NQTZTTOQPGWOTD-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 306704567 345558553 /nfs/dbraw/zinc/55/85/53/345558553.db2.gz NQTZTTOQPGWOTD-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(C)CCC1 306715839 345568117 /nfs/dbraw/zinc/56/81/17/345568117.db2.gz FPLLAWMIQDGOKV-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(C)CCC1 306715839 345568116 /nfs/dbraw/zinc/56/81/16/345568116.db2.gz FPLLAWMIQDGOKV-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(C)CCC1 306715845 345568182 /nfs/dbraw/zinc/56/81/82/345568182.db2.gz FPLLAWMIQDGOKV-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+]C1(C)CCC1 306715845 345568184 /nfs/dbraw/zinc/56/81/84/345568184.db2.gz FPLLAWMIQDGOKV-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]2)C(C)(C)C1 306717532 345569212 /nfs/dbraw/zinc/56/92/12/345569212.db2.gz GQRBWKJEJXESNT-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]2)C(C)(C)C1 306717532 345569214 /nfs/dbraw/zinc/56/92/14/345569214.db2.gz GQRBWKJEJXESNT-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+]2)C(C)(C)C1 306717534 345569302 /nfs/dbraw/zinc/56/93/02/345569302.db2.gz GQRBWKJEJXESNT-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]2)C(C)(C)C1 306717534 345569304 /nfs/dbraw/zinc/56/93/04/345569304.db2.gz GQRBWKJEJXESNT-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2CC[NH2+]2)C(C)(C)C1 306717531 345569550 /nfs/dbraw/zinc/56/95/50/345569550.db2.gz GQRBWKJEJXESNT-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]2)C(C)(C)C1 306717531 345569553 /nfs/dbraw/zinc/56/95/53/345569553.db2.gz GQRBWKJEJXESNT-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]2)C(C)(C)C1 306717533 345569580 /nfs/dbraw/zinc/56/95/80/345569580.db2.gz GQRBWKJEJXESNT-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]2)C(C)(C)C1 306717533 345569584 /nfs/dbraw/zinc/56/95/84/345569584.db2.gz GQRBWKJEJXESNT-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CCn1c[nH+]c(C2=C[C@H]([NH3+])CC2)c1 306725190 345575068 /nfs/dbraw/zinc/57/50/68/345575068.db2.gz JZKJCLYEGBXXCN-SECBINFHSA-N 2 2 177.251 1.408 10 0 ADAELP CCn1c[nH+]c(C2=C[C@@H]([NH3+])CC2)c1 306725191 345575161 /nfs/dbraw/zinc/57/51/61/345575161.db2.gz JZKJCLYEGBXXCN-VIFPVBQESA-N 2 2 177.251 1.408 10 0 ADAELP Oc1ccc[nH+]c1NCc1[nH]cc[nH+]1 306724789 345575222 /nfs/dbraw/zinc/57/52/22/345575222.db2.gz JFOJZMRCKXVLQB-UHFFFAOYSA-N 2 2 190.206 1.122 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C1 306727089 345577112 /nfs/dbraw/zinc/57/71/12/345577112.db2.gz MMRZGWRJQZCJDH-NKWVEPMBSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C1 306727089 345577115 /nfs/dbraw/zinc/57/71/15/345577115.db2.gz MMRZGWRJQZCJDH-NKWVEPMBSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C1 306727088 345577524 /nfs/dbraw/zinc/57/75/24/345577524.db2.gz MMRZGWRJQZCJDH-BQBZGAKWSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C1 306727088 345577526 /nfs/dbraw/zinc/57/75/26/345577526.db2.gz MMRZGWRJQZCJDH-BQBZGAKWSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](C/C=C/Cl)C1 306728205 345577740 /nfs/dbraw/zinc/57/77/40/345577740.db2.gz BQFFBRCUFAPQNH-HPOULIHZSA-N 2 2 188.702 1.280 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C/C=C/Cl)C1 306728204 345577914 /nfs/dbraw/zinc/57/79/14/345577914.db2.gz BQFFBRCUFAPQNH-GKQMSVHHSA-N 2 2 188.702 1.280 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C/C=C/Cl)C1 306728204 345577916 /nfs/dbraw/zinc/57/79/16/345577916.db2.gz BQFFBRCUFAPQNH-GKQMSVHHSA-N 2 2 188.702 1.280 10 0 ADAELP CC[C@@H]1CC[NH2+][C@H](C[NH+]2CC=CC2)C1 306729276 345578410 /nfs/dbraw/zinc/57/84/10/345578410.db2.gz OOAHMKUPAVKPJC-NEPJUHHUSA-N 2 2 194.322 1.636 10 0 ADAELP CC[C@H]1CC[NH2+][C@@H](C[NH+]2CC=CC2)C1 306729277 345578428 /nfs/dbraw/zinc/57/84/28/345578428.db2.gz OOAHMKUPAVKPJC-NWDGAFQWSA-N 2 2 194.322 1.636 10 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/nfs/dbraw/zinc/59/03/18/345590318.db2.gz LHDNXCAFKKEWJD-QMMMGPOBSA-N 2 2 156.273 1.066 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 306753120 345592593 /nfs/dbraw/zinc/59/25/93/345592593.db2.gz LYVVACOQIOTUCG-WISYIIOYSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@@H]1CC[C@H]([NH+]2CC(C)(C)C2)C[NH2+]1 306756404 345593407 /nfs/dbraw/zinc/59/34/07/345593407.db2.gz RGJWSBUZCJPETO-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@@H]([NH+]2CC(C)(C)C2)C[NH2+]1 306756403 345593453 /nfs/dbraw/zinc/59/34/53/345593453.db2.gz RGJWSBUZCJPETO-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CCn1c[nH+]c(C2CC[NH2+]CC2)c1 306756386 345593525 /nfs/dbraw/zinc/59/35/25/345593525.db2.gz QJQHRYUSHXTZNK-UHFFFAOYSA-N 2 2 179.267 1.370 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccsc1 306756511 345593622 /nfs/dbraw/zinc/59/36/22/345593622.db2.gz MBCKRNMYKAWOFB-WPRPVWTQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccsc1 306756511 345593624 /nfs/dbraw/zinc/59/36/24/345593624.db2.gz MBCKRNMYKAWOFB-WPRPVWTQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1CC[C@H]([NH+]2CC(C)(C)C2)C[NH2+]1 306756402 345593647 /nfs/dbraw/zinc/59/36/47/345593647.db2.gz RGJWSBUZCJPETO-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@@H]([NH+]2CC(C)(C)C2)C[NH2+]1 306756400 345593701 /nfs/dbraw/zinc/59/37/01/345593701.db2.gz RGJWSBUZCJPETO-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccsc1 306756510 345593747 /nfs/dbraw/zinc/59/37/47/345593747.db2.gz MBCKRNMYKAWOFB-WCBMZHEXSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccsc1 306756510 345593748 /nfs/dbraw/zinc/59/37/48/345593748.db2.gz MBCKRNMYKAWOFB-WCBMZHEXSA-N 2 2 196.319 1.670 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CCC[C@H]([NH3+])[C@H]1C 306758271 345594561 /nfs/dbraw/zinc/59/45/61/345594561.db2.gz UGQUOHYYKAWEJS-AXFHLTTASA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CCC[C@H]([NH3+])[C@H]1C 306758271 345594562 /nfs/dbraw/zinc/59/45/62/345594562.db2.gz UGQUOHYYKAWEJS-AXFHLTTASA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 306758274 345594633 /nfs/dbraw/zinc/59/46/33/345594633.db2.gz UGQUOHYYKAWEJS-HBNTYKKESA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 306758274 345594634 /nfs/dbraw/zinc/59/46/34/345594634.db2.gz UGQUOHYYKAWEJS-HBNTYKKESA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C 306758273 345594698 /nfs/dbraw/zinc/59/46/98/345594698.db2.gz UGQUOHYYKAWEJS-GARJFASQSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C 306758273 345594699 /nfs/dbraw/zinc/59/46/99/345594699.db2.gz UGQUOHYYKAWEJS-GARJFASQSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C 306758272 345594760 /nfs/dbraw/zinc/59/47/60/345594760.db2.gz UGQUOHYYKAWEJS-DCAQKATOSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CCC[C@H]([NH3+])[C@@H]1C 306758272 345594764 /nfs/dbraw/zinc/59/47/64/345594764.db2.gz UGQUOHYYKAWEJS-DCAQKATOSA-N 2 2 184.327 1.843 10 0 ADAELP CCC1(C)C[NH+]([C@@H]2CCC[NH2+]C2)C1 306759116 345595399 /nfs/dbraw/zinc/59/53/99/345595399.db2.gz UZYXWBVVZHIFBK-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CCC1(C)C[NH+]([C@H]2CCC[NH2+]C2)C1 306759115 345595437 /nfs/dbraw/zinc/59/54/37/345595437.db2.gz UZYXWBVVZHIFBK-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CC(=[NH2+])N1CC[NH+](C2CCC2)CC1 306760236 345596509 /nfs/dbraw/zinc/59/65/09/345596509.db2.gz QWUKUAZQNHSYGX-UHFFFAOYSA-N 2 2 181.283 1.154 10 0 ADAELP CC(C)(C[NH3+])[N@@H+]1CC2CCC1CC2 306762591 345598483 /nfs/dbraw/zinc/59/84/83/345598483.db2.gz SZWBITGFTOCXIU-UHFFFAOYSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)(C[NH3+])[N@H+]1CC2CCC1CC2 306762591 345598485 /nfs/dbraw/zinc/59/84/85/345598485.db2.gz SZWBITGFTOCXIU-UHFFFAOYSA-N 2 2 182.311 1.598 10 0 ADAELP Cc1ccc(N[C@@H](C)[C@H](C)[NH3+])c(C)[nH+]1 306763843 345599115 /nfs/dbraw/zinc/59/91/15/345599115.db2.gz GOPCJYYMVQPMME-IUCAKERBSA-N 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FC1(F)CC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 306770963 345603984 /nfs/dbraw/zinc/60/39/84/345603984.db2.gz QYDUQVYGVQIGSL-YUMQZZPRSA-N 2 2 190.237 1.126 10 0 ADAELP FC1(F)CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 306770962 345604306 /nfs/dbraw/zinc/60/43/06/345604306.db2.gz QYDUQVYGVQIGSL-SFYZADRCSA-N 2 2 190.237 1.126 10 0 ADAELP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)o1 306784014 345612096 /nfs/dbraw/zinc/61/20/96/345612096.db2.gz RRTKMUCZHORJQO-RXMQYKEDSA-N 2 2 174.631 1.282 10 0 ADAELP Cc1cc(-n2cc[nH+]c2)cc(C)[nH+]1 306785154 345612486 /nfs/dbraw/zinc/61/24/86/345612486.db2.gz SYRLAAMSXYNTIH-UHFFFAOYSA-N 2 2 173.219 1.884 10 0 ADAELP CC(C)c1c[nH+]cn1C1(C)C[NH2+]C1 306785871 345613149 /nfs/dbraw/zinc/61/31/49/345613149.db2.gz UGICYTUFMZCWNJ-UHFFFAOYSA-N 2 2 179.267 1.325 10 0 ADAELP C[C@@H]1C[C@H]([NH+]2C[C@H](C)[C@@H](C)C2)C[NH2+]1 306785301 345613158 /nfs/dbraw/zinc/61/31/58/345613158.db2.gz NEZWSAWWUACEDA-MMWGEVLESA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2C[NH2+][C@H](C)C2)C[C@H]1C 306785297 345613230 /nfs/dbraw/zinc/61/32/30/345613230.db2.gz NEZWSAWWUACEDA-DBIOUOCHSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2C[NH2+][C@H](C)C2)C[C@@H]1C 306785303 345613269 /nfs/dbraw/zinc/61/32/69/345613269.db2.gz NEZWSAWWUACEDA-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2C[NH2+][C@H](C)C2)C[C@@H]1C 306785303 345613270 /nfs/dbraw/zinc/61/32/70/345613270.db2.gz NEZWSAWWUACEDA-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@H+]([C@H]2C[NH2+][C@H](C)C2)C[C@@H]1C 306785299 345613312 /nfs/dbraw/zinc/61/33/12/345613312.db2.gz NEZWSAWWUACEDA-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2C[NH2+][C@H](C)C2)C[C@@H]1C 306785299 345613314 /nfs/dbraw/zinc/61/33/14/345613314.db2.gz NEZWSAWWUACEDA-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCC(C)=C(C)C1 306788233 345615132 /nfs/dbraw/zinc/61/51/32/345615132.db2.gz RNXGTOOEMHYUAZ-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCC(C)=C(C)C1 306788233 345615134 /nfs/dbraw/zinc/61/51/34/345615134.db2.gz RNXGTOOEMHYUAZ-NSHDSACASA-N 2 2 182.311 1.636 10 0 ADAELP CCNc1cc(C)c(C[NH3+])c(C)[nH+]1 306790604 345616672 /nfs/dbraw/zinc/61/66/72/345616672.db2.gz YXTHPCQURVAEJE-UHFFFAOYSA-N 2 2 179.267 1.589 10 0 ADAELP c1[nH]c(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c[nH+]1 306791596 345617399 /nfs/dbraw/zinc/61/73/99/345617399.db2.gz YIDFHRWQGCBOKT-GDPRMGEGSA-N 2 2 191.278 1.688 10 0 ADAELP CCC1C[NH+]([C@H]2CC[NH2+][C@@H]2C)C1 306792593 345618545 /nfs/dbraw/zinc/61/85/45/345618545.db2.gz QYVMWBHYRGSRTI-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP CCC1C[NH+]([C@@H]2CC[NH2+][C@@H]2C)C1 306792591 345618597 /nfs/dbraw/zinc/61/85/97/345618597.db2.gz QYVMWBHYRGSRTI-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP CCC1C[NH+]([C@H]2CC[NH2+][C@H]2C)C1 306792601 345618807 /nfs/dbraw/zinc/61/88/07/345618807.db2.gz QYVMWBHYRGSRTI-WPRPVWTQSA-N 2 2 168.284 1.079 10 0 ADAELP CCC1C[NH+]([C@@H]2CC[NH2+][C@H]2C)C1 306792597 345618815 /nfs/dbraw/zinc/61/88/15/345618815.db2.gz QYVMWBHYRGSRTI-WCBMZHEXSA-N 2 2 168.284 1.079 10 0 ADAELP Cc1c[nH+]cc(N[C@@H](C)[C@H](C)[NH3+])c1 306797020 345620863 /nfs/dbraw/zinc/62/08/63/345620863.db2.gz AEAYXSIKCCCSDA-IUCAKERBSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1c[nH+]cc(N[C@@H](C)[C@@H](C)[NH3+])c1 306797017 345620954 /nfs/dbraw/zinc/62/09/54/345620954.db2.gz AEAYXSIKCCCSDA-BDAKNGLRSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1c[nH+]cc(N[C@H](C)[C@@H](C)[NH3+])c1 306797021 345621162 /nfs/dbraw/zinc/62/11/62/345621162.db2.gz AEAYXSIKCCCSDA-RKDXNWHRSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1c[nH+]cc(N[C@H](C)[C@H](C)[NH3+])c1 306797018 345621207 /nfs/dbraw/zinc/62/12/07/345621207.db2.gz AEAYXSIKCCCSDA-DTWKUNHWSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cc[nH+]c(NC2C[NH+](C)C2)c1 306802093 345623756 /nfs/dbraw/zinc/62/37/56/345623756.db2.gz SUHLLQVGSNJEHT-UHFFFAOYSA-N 2 2 177.251 1.116 10 0 ADAELP C[C@@H]1CS[C@](C)([C@H]2CCC[NH2+]2)[NH2+]1 306802703 345624240 /nfs/dbraw/zinc/62/42/40/345624240.db2.gz 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162.236 1.752 10 0 ADAELP CC(C)/C(=C/c1[nH+]ccn1C)C[NH3+] 306807012 345626840 /nfs/dbraw/zinc/62/68/40/345626840.db2.gz LHSQHCVQOSFNBY-RMKNXTFCSA-N 2 2 179.267 1.418 10 0 ADAELP CCn1cc[nH+]c1/C=C(/C)C[NH3+] 306808329 345628075 /nfs/dbraw/zinc/62/80/75/345628075.db2.gz ORUNGFUBFZHNFF-VURMDHGXSA-N 2 2 165.240 1.265 10 0 ADAELP Cc1[nH+]cc([C@@](F)(C[NH3+])C(C)C)n1C 306820941 345636130 /nfs/dbraw/zinc/63/61/30/345636130.db2.gz JSBMICRMHKKWTQ-SNVBAGLBSA-N 2 2 199.273 1.508 10 0 ADAELP Cc1[nH+]cc([C@](F)(C[NH3+])C(C)C)n1C 306820940 345636364 /nfs/dbraw/zinc/63/63/64/345636364.db2.gz JSBMICRMHKKWTQ-JTQLQIEISA-N 2 2 199.273 1.508 10 0 ADAELP C[NH2+][C@H](c1c[nH+]c(C)n1C)C1(C)CC1 306825873 345640528 /nfs/dbraw/zinc/64/05/28/345640528.db2.gz YGMLLALNIYAVCC-SNVBAGLBSA-N 2 2 193.294 1.789 10 0 ADAELP C[NH2+][C@@H](c1c[nH+]c(C)n1C)C1(C)CC1 306825872 345640856 /nfs/dbraw/zinc/64/08/56/345640856.db2.gz YGMLLALNIYAVCC-JTQLQIEISA-N 2 2 193.294 1.789 10 0 ADAELP 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306868173 345668931 /nfs/dbraw/zinc/66/89/31/345668931.db2.gz QPLWSKSLTSHQRZ-ZJUUUORDSA-N 2 2 193.294 1.523 10 0 ADAELP C[C@H]1C[C@H]([NH+]2CC3(CCC3)C2)C[NH2+]1 306870241 345670253 /nfs/dbraw/zinc/67/02/53/345670253.db2.gz SVFZVCSAQUKXEK-UWVGGRQHSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@H]1C[C@@H]([NH+]2CC3(CCC3)C2)C[NH2+]1 306870242 345670280 /nfs/dbraw/zinc/67/02/80/345670280.db2.gz SVFZVCSAQUKXEK-VHSXEESVSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@@H]1C[C@@H]([NH+]2CC3(CCC3)C2)C[NH2+]1 306870240 345670290 /nfs/dbraw/zinc/67/02/90/345670290.db2.gz SVFZVCSAQUKXEK-NXEZZACHSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C)[C@H]2C)C[NH2+]1 306871806 345670545 /nfs/dbraw/zinc/67/05/45/345670545.db2.gz YIBTZZFJBIONAI-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C)[C@H]2C)C[NH2+]1 306871806 345670547 /nfs/dbraw/zinc/67/05/47/345670547.db2.gz YIBTZZFJBIONAI-KKOKHZNYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@H+]1[C@@H]1C[NH2+][C@H](C)C1 306871809 345670572 /nfs/dbraw/zinc/67/05/72/345670572.db2.gz YIBTZZFJBIONAI-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1[C@H](C)CCC[N@@H+]1[C@@H]1C[NH2+][C@H](C)C1 306871809 345670574 /nfs/dbraw/zinc/67/05/74/345670574.db2.gz YIBTZZFJBIONAI-WYUUTHIRSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@@H]1C 306871807 345670603 /nfs/dbraw/zinc/67/06/03/345670603.db2.gz YIBTZZFJBIONAI-QCNOEVLYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@@H]1C 306871807 345670604 /nfs/dbraw/zinc/67/06/04/345670604.db2.gz YIBTZZFJBIONAI-QCNOEVLYSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CCC[N@@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@H]1C 306871808 345670674 /nfs/dbraw/zinc/67/06/74/345670674.db2.gz YIBTZZFJBIONAI-USZNOCQGSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@H]1CCC[N@H+]([C@@H]2C[NH2+][C@H](C)C2)[C@H]1C 306871808 345670678 /nfs/dbraw/zinc/67/06/78/345670678.db2.gz YIBTZZFJBIONAI-USZNOCQGSA-N 2 2 196.338 1.857 10 0 ADAELP CC[C@H](Nc1cc(C)[nH+]cn1)[C@@H](C)[NH3+] 306874619 345672337 /nfs/dbraw/zinc/67/23/37/345672337.db2.gz GHKMLYGVCBIJTO-BDAKNGLRSA-N 2 2 194.282 1.323 10 0 ADAELP CC[C@@H](Nc1cc(C)[nH+]cn1)[C@@H](C)[NH3+] 306874645 345672363 /nfs/dbraw/zinc/67/23/63/345672363.db2.gz GHKMLYGVCBIJTO-RKDXNWHRSA-N 2 2 194.282 1.323 10 0 ADAELP CC[C@H](Nc1cc(C)[nH+]cn1)[C@H](C)[NH3+] 306874636 345672495 /nfs/dbraw/zinc/67/24/95/345672495.db2.gz GHKMLYGVCBIJTO-IUCAKERBSA-N 2 2 194.282 1.323 10 0 ADAELP CC[C@@H](Nc1cc(C)[nH+]cn1)[C@H](C)[NH3+] 306874627 345672520 /nfs/dbraw/zinc/67/25/20/345672520.db2.gz GHKMLYGVCBIJTO-DTWKUNHWSA-N 2 2 194.282 1.323 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)Nc1cccc(C)[nH+]1 306880437 345676733 /nfs/dbraw/zinc/67/67/33/345676733.db2.gz KRSKGJDADQKLED-ZJUUUORDSA-N 2 2 193.294 1.928 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)Nc1cccc(C)[nH+]1 306880425 345676958 /nfs/dbraw/zinc/67/69/58/345676958.db2.gz KRSKGJDADQKLED-UWVGGRQHSA-N 2 2 193.294 1.928 10 0 ADAELP CC[C@@H]([NH3+])[C@H](C)Nc1cccc(C)[nH+]1 306880433 345677080 /nfs/dbraw/zinc/67/70/80/345677080.db2.gz KRSKGJDADQKLED-VHSXEESVSA-N 2 2 193.294 1.928 10 0 ADAELP CC[C@@H]([NH3+])[C@@H](C)Nc1cccc(C)[nH+]1 306880419 345677179 /nfs/dbraw/zinc/67/71/79/345677179.db2.gz KRSKGJDADQKLED-NXEZZACHSA-N 2 2 193.294 1.928 10 0 ADAELP CC[C@H](Nc1cc[nH+]c(C)n1)[C@@H](C)[NH3+] 306882144 345678723 /nfs/dbraw/zinc/67/87/23/345678723.db2.gz MXHYEPARJMJVFY-APPZFPTMSA-N 2 2 194.282 1.323 10 0 ADAELP CC[C@@H](Nc1cc[nH+]c(C)n1)[C@@H](C)[NH3+] 306882147 345678774 /nfs/dbraw/zinc/67/87/74/345678774.db2.gz MXHYEPARJMJVFY-VXNVDRBHSA-N 2 2 194.282 1.323 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC23CCCC3)C1 306882435 345678949 /nfs/dbraw/zinc/67/89/49/345678949.db2.gz NFNYZZOJDASNFO-GHMZBOCLSA-N 2 2 194.322 1.613 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@H]2CC23CCCC3)C1 306882437 345678955 /nfs/dbraw/zinc/67/89/55/345678955.db2.gz NFNYZZOJDASNFO-QWRGUYRKSA-N 2 2 194.322 1.613 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@H]2CC23CCCC3)C1 306882437 345678958 /nfs/dbraw/zinc/67/89/58/345678958.db2.gz NFNYZZOJDASNFO-QWRGUYRKSA-N 2 2 194.322 1.613 10 0 ADAELP CC[C@@H](Nc1cc[nH+]c(C)n1)[C@H](C)[NH3+] 306882146 345679017 /nfs/dbraw/zinc/67/90/17/345679017.db2.gz MXHYEPARJMJVFY-IONNQARKSA-N 2 2 194.282 1.323 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@@H]2CC23CCCC3)C1 306882438 345679019 /nfs/dbraw/zinc/67/90/19/345679019.db2.gz NFNYZZOJDASNFO-WDEREUQCSA-N 2 2 194.322 1.613 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@@H]2CC23CCCC3)C1 306882438 345679021 /nfs/dbraw/zinc/67/90/21/345679021.db2.gz NFNYZZOJDASNFO-WDEREUQCSA-N 2 2 194.322 1.613 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC23CCCC3)C1 306882436 345679047 /nfs/dbraw/zinc/67/90/47/345679047.db2.gz NFNYZZOJDASNFO-MNOVXSKESA-N 2 2 194.322 1.613 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CC23CCCC3)C1 306882436 345679048 /nfs/dbraw/zinc/67/90/48/345679048.db2.gz NFNYZZOJDASNFO-MNOVXSKESA-N 2 2 194.322 1.613 10 0 ADAELP CC[C@H](Nc1cc[nH+]c(C)n1)[C@H](C)[NH3+] 306882145 345679061 /nfs/dbraw/zinc/67/90/61/345679061.db2.gz MXHYEPARJMJVFY-CBAPKCEASA-N 2 2 194.282 1.323 10 0 ADAELP C/C=C/C[NH+]1CC2=C(C[NH+](C)C2)C1 306887676 345684015 /nfs/dbraw/zinc/68/40/15/345684015.db2.gz UUSJPUMVGFFRFZ-ONEGZZNKSA-N 2 2 178.279 1.120 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(C)CC1 306888355 345684884 /nfs/dbraw/zinc/68/48/84/345684884.db2.gz VVBVSINRDVMGDW-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(C)CC1 306888355 345684886 /nfs/dbraw/zinc/68/48/86/345684886.db2.gz VVBVSINRDVMGDW-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(C)CC1 306888354 345684900 /nfs/dbraw/zinc/68/49/00/345684900.db2.gz VVBVSINRDVMGDW-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+]C1(C)CC1 306888354 345684901 /nfs/dbraw/zinc/68/49/01/345684901.db2.gz VVBVSINRDVMGDW-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](C)[C@H]1c1cn(C)c[nH+]1 306894531 345689028 /nfs/dbraw/zinc/68/90/28/345689028.db2.gz ZEELRBGDSKDADB-WEDXCCLWSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@H](C)[C@H]1c1cn(C)c[nH+]1 306894529 345689265 /nfs/dbraw/zinc/68/92/65/345689265.db2.gz ZEELRBGDSKDADB-MRTMQBJTSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@H](C)[C@@H]1c1cn(C)c[nH+]1 306894530 345689443 /nfs/dbraw/zinc/68/94/43/345689443.db2.gz ZEELRBGDSKDADB-NQMVMOMDSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H]1C 306910565 345694773 /nfs/dbraw/zinc/69/47/73/345694773.db2.gz PURAUNNACCLOOG-OUAUKWLOSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]1C 306910565 345694778 /nfs/dbraw/zinc/69/47/78/345694778.db2.gz PURAUNNACCLOOG-OUAUKWLOSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H]1C 306910567 345694910 /nfs/dbraw/zinc/69/49/10/345694910.db2.gz PURAUNNACCLOOG-VWYCJHECSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]1C 306910567 345694912 /nfs/dbraw/zinc/69/49/12/345694912.db2.gz PURAUNNACCLOOG-VWYCJHECSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H](C)[C@H]1CCC[NH2+]1 306910562 345694999 /nfs/dbraw/zinc/69/49/99/345694999.db2.gz PURAUNNACCLOOG-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H](C)[C@H]1CCC[NH2+]1 306910562 345695002 /nfs/dbraw/zinc/69/50/02/345695002.db2.gz PURAUNNACCLOOG-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H](C)[C@@H]1CCC[NH2+]1 306910564 345695108 /nfs/dbraw/zinc/69/51/08/345695108.db2.gz PURAUNNACCLOOG-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@@H+]1CCC[C@H]1C 306919476 345698409 /nfs/dbraw/zinc/69/84/09/345698409.db2.gz KNHNVDCSJSPVMQ-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CCC[C@H]1C 306919476 345698412 /nfs/dbraw/zinc/69/84/12/345698412.db2.gz KNHNVDCSJSPVMQ-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@@H+]1CCC[C@@H]1C 306919473 345698454 /nfs/dbraw/zinc/69/84/54/345698454.db2.gz KNHNVDCSJSPVMQ-GUBZILKMSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CCC[C@@H]1C 306919473 345698457 /nfs/dbraw/zinc/69/84/57/345698457.db2.gz KNHNVDCSJSPVMQ-GUBZILKMSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@@H+]1CCC[C@H]1C 306919474 345698666 /nfs/dbraw/zinc/69/86/66/345698666.db2.gz KNHNVDCSJSPVMQ-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@H+]1CCC[C@H]1C 306919474 345698668 /nfs/dbraw/zinc/69/86/68/345698668.db2.gz KNHNVDCSJSPVMQ-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@@H+]1CCC[C@@H]1C 306919475 345698698 /nfs/dbraw/zinc/69/86/98/345698698.db2.gz KNHNVDCSJSPVMQ-LPEHRKFASA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@H+]1CCC[C@@H]1C 306919475 345698700 /nfs/dbraw/zinc/69/87/00/345698700.db2.gz KNHNVDCSJSPVMQ-LPEHRKFASA-N 2 2 168.284 1.221 10 0 ADAELP Cc1cc(NCC[NH3+])c[nH+]c1C 306930026 345704472 /nfs/dbraw/zinc/70/44/72/345704472.db2.gz BFOISZPDTVHAIV-UHFFFAOYSA-N 2 2 165.240 1.069 10 0 ADAELP Cc1c[nH+]ccc1C[C@@H]1CC[NH2+]C1 306933194 345705866 /nfs/dbraw/zinc/70/58/66/345705866.db2.gz FPVMYXKSTRDUPW-JTQLQIEISA-N 2 2 176.263 1.542 10 0 ADAELP Cc1c[nH+]ccc1C[C@H]1CC[NH2+]C1 306933195 345706102 /nfs/dbraw/zinc/70/61/02/345706102.db2.gz FPVMYXKSTRDUPW-SNVBAGLBSA-N 2 2 176.263 1.542 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 306934805 345706588 /nfs/dbraw/zinc/70/65/88/345706588.db2.gz DHARUDLUSQNDOX-AXTSPUMRSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 306934805 345706590 /nfs/dbraw/zinc/70/65/90/345706590.db2.gz DHARUDLUSQNDOX-AXTSPUMRSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 306934810 345706595 /nfs/dbraw/zinc/70/65/95/345706595.db2.gz DHARUDLUSQNDOX-XKNYDFJKSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 306934810 345706598 /nfs/dbraw/zinc/70/65/98/345706598.db2.gz DHARUDLUSQNDOX-XKNYDFJKSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C 306934802 345706704 /nfs/dbraw/zinc/70/67/04/345706704.db2.gz DHARUDLUSQNDOX-AATLWQCWSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C 306934802 345706707 /nfs/dbraw/zinc/70/67/07/345706707.db2.gz DHARUDLUSQNDOX-AATLWQCWSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 306934808 345706729 /nfs/dbraw/zinc/70/67/29/345706729.db2.gz DHARUDLUSQNDOX-QEYWKRMJSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 306934808 345706731 /nfs/dbraw/zinc/70/67/31/345706731.db2.gz DHARUDLUSQNDOX-QEYWKRMJSA-N 2 2 170.300 1.310 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[NH2+]C[C@H]1C 306945505 345711781 /nfs/dbraw/zinc/71/17/81/345711781.db2.gz KIOKXDQPDNUDQI-RKDXNWHRSA-N 2 2 179.267 1.226 10 0 ADAELP CCn1c[nH+]cc1[C@H]1C[NH2+]C[C@@H]1C 306945503 345712047 /nfs/dbraw/zinc/71/20/47/345712047.db2.gz KIOKXDQPDNUDQI-IUCAKERBSA-N 2 2 179.267 1.226 10 0 ADAELP CCn1c[nH+]cc1[C@H]1C[NH2+]C[C@H]1C 306945499 345712120 /nfs/dbraw/zinc/71/21/20/345712120.db2.gz KIOKXDQPDNUDQI-BDAKNGLRSA-N 2 2 179.267 1.226 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[NH2+]C[C@@H]1C 306945501 345712194 /nfs/dbraw/zinc/71/21/94/345712194.db2.gz KIOKXDQPDNUDQI-DTWKUNHWSA-N 2 2 179.267 1.226 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH+]1CC2(CCCC2)C1 306947082 345712518 /nfs/dbraw/zinc/71/25/18/345712518.db2.gz OHWQXXCUTVEXTN-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CC2(CCCC2)C1 306947083 345712593 /nfs/dbraw/zinc/71/25/93/345712593.db2.gz OHWQXXCUTVEXTN-ZJUUUORDSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1CC2(CCCC2)C1 306947081 345712677 /nfs/dbraw/zinc/71/26/77/345712677.db2.gz OHWQXXCUTVEXTN-UWVGGRQHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CC2(CCCC2)C1 306947080 345712822 /nfs/dbraw/zinc/71/28/22/345712822.db2.gz OHWQXXCUTVEXTN-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@H+](C)C(C)(C)C 306947938 345713052 /nfs/dbraw/zinc/71/30/52/345713052.db2.gz RGYOEWGWMWLCNM-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+](C)C(C)(C)C 306947938 345713054 /nfs/dbraw/zinc/71/30/54/345713054.db2.gz RGYOEWGWMWLCNM-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1[N@H+](C)C(C)(C)C 306947939 345713151 /nfs/dbraw/zinc/71/31/51/345713151.db2.gz RGYOEWGWMWLCNM-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1[N@@H+](C)C(C)(C)C 306947939 345713154 /nfs/dbraw/zinc/71/31/54/345713154.db2.gz RGYOEWGWMWLCNM-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[N@H+](C)C(C)(C)C 306947936 345713295 /nfs/dbraw/zinc/71/32/95/345713295.db2.gz RGYOEWGWMWLCNM-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[N@@H+](C)C(C)(C)C 306947936 345713297 /nfs/dbraw/zinc/71/32/97/345713297.db2.gz RGYOEWGWMWLCNM-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+](C)C(C)(C)C 306947937 345713449 /nfs/dbraw/zinc/71/34/49/345713449.db2.gz RGYOEWGWMWLCNM-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+](C)C(C)(C)C 306947937 345713452 /nfs/dbraw/zinc/71/34/52/345713452.db2.gz RGYOEWGWMWLCNM-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C2)[C@@H](C)[C@H]1C 306974944 345728344 /nfs/dbraw/zinc/72/83/44/345728344.db2.gz XNVGYNBGYHFGHL-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C2)[C@@H](C)[C@H]1C 306974944 345728347 /nfs/dbraw/zinc/72/83/47/345728347.db2.gz XNVGYNBGYHFGHL-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C2)[C@H](C)[C@H]1C 306974942 345728354 /nfs/dbraw/zinc/72/83/54/345728354.db2.gz XNVGYNBGYHFGHL-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C2)[C@H](C)[C@H]1C 306974942 345728356 /nfs/dbraw/zinc/72/83/56/345728356.db2.gz XNVGYNBGYHFGHL-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C2)[C@H](C)[C@@H]1C 306974941 345728478 /nfs/dbraw/zinc/72/84/78/345728478.db2.gz XNVGYNBGYHFGHL-GWOFURMSSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C2)[C@H](C)[C@@H]1C 306974941 345728479 /nfs/dbraw/zinc/72/84/79/345728479.db2.gz XNVGYNBGYHFGHL-GWOFURMSSA-N 2 2 182.311 1.325 10 0 ADAELP CC1(C)CC([NH2+]Cc2c[nH+]c[nH]2)C1 306983730 345734317 /nfs/dbraw/zinc/73/43/17/345734317.db2.gz UEOIJARRWUCMPK-UHFFFAOYSA-N 2 2 179.267 1.688 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+]C[C@H]1C 306987250 345735848 /nfs/dbraw/zinc/73/58/48/345735848.db2.gz YJYKZQSMGZNSPJ-RKDXNWHRSA-N 2 2 179.267 1.226 10 0 ADAELP CCn1cc[nH+]c1[C@H]1C[NH2+]C[C@@H]1C 306987249 345735968 /nfs/dbraw/zinc/73/59/68/345735968.db2.gz YJYKZQSMGZNSPJ-IUCAKERBSA-N 2 2 179.267 1.226 10 0 ADAELP CCn1cc[nH+]c1[C@H]1C[NH2+]C[C@H]1C 306987246 345736066 /nfs/dbraw/zinc/73/60/66/345736066.db2.gz YJYKZQSMGZNSPJ-BDAKNGLRSA-N 2 2 179.267 1.226 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1C[NH2+]C[C@@H]1C 306987247 345736081 /nfs/dbraw/zinc/73/60/81/345736081.db2.gz YJYKZQSMGZNSPJ-DTWKUNHWSA-N 2 2 179.267 1.226 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 306993314 345739361 /nfs/dbraw/zinc/73/93/61/345739361.db2.gz YXZHKIFSFJYPSG-OUAUKWLOSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1C[C@H]([NH3+])CC[C@H]1C 306993314 345739363 /nfs/dbraw/zinc/73/93/63/345739363.db2.gz YXZHKIFSFJYPSG-OUAUKWLOSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 306993313 345739425 /nfs/dbraw/zinc/73/94/25/345739425.db2.gz YXZHKIFSFJYPSG-GARJFASQSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 306993313 345739427 /nfs/dbraw/zinc/73/94/27/345739427.db2.gz YXZHKIFSFJYPSG-GARJFASQSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 306993312 345739442 /nfs/dbraw/zinc/73/94/42/345739442.db2.gz YXZHKIFSFJYPSG-DCAQKATOSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 306993312 345739444 /nfs/dbraw/zinc/73/94/44/345739444.db2.gz YXZHKIFSFJYPSG-DCAQKATOSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 306993315 345739618 /nfs/dbraw/zinc/73/96/18/345739618.db2.gz YXZHKIFSFJYPSG-VWYCJHECSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@H](C)[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 306993315 345739621 /nfs/dbraw/zinc/73/96/21/345739621.db2.gz YXZHKIFSFJYPSG-VWYCJHECSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@H]2C[C@H]21 306996181 345741013 /nfs/dbraw/zinc/74/10/13/345741013.db2.gz RXYFTWJDXLEHHW-UKKRHICBSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@H]2C[C@H]21 306996181 345741016 /nfs/dbraw/zinc/74/10/16/345741016.db2.gz RXYFTWJDXLEHHW-UKKRHICBSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@@H]2C[C@@H]21 306996183 345741087 /nfs/dbraw/zinc/74/10/87/345741087.db2.gz RXYFTWJDXLEHHW-ZRUFSTJUSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@@H]2C[C@@H]21 306996183 345741088 /nfs/dbraw/zinc/74/10/88/345741088.db2.gz RXYFTWJDXLEHHW-ZRUFSTJUSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H]([NH3+])[C@@H](c1ccccc1)[NH+]1CCC1 307010379 345750645 /nfs/dbraw/zinc/75/06/45/345750645.db2.gz JLUCINAXVQEEGP-PWSUYJOCSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@@H]([NH3+])[C@H](c1ccccc1)[NH+]1CCC1 307010380 345750537 /nfs/dbraw/zinc/75/05/37/345750537.db2.gz JLUCINAXVQEEGP-ZYHUDNBSSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@H]([NH3+])[C@H](c1ccccc1)[NH+]1CCC1 307010377 345750556 /nfs/dbraw/zinc/75/05/56/345750556.db2.gz JLUCINAXVQEEGP-CMPLNLGQSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@H]([NH3+])[C@@H](c1ccccc1)[NH+]1CCC1 307010378 345750739 /nfs/dbraw/zinc/75/07/39/345750739.db2.gz JLUCINAXVQEEGP-JQWIXIFHSA-N 2 2 190.290 1.781 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C(C)(C)C 307015051 345753791 /nfs/dbraw/zinc/75/37/91/345753791.db2.gz TWPMDDZIBMBWKJ-HTQZYQBOSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C(C)(C)C 307015051 345753793 /nfs/dbraw/zinc/75/37/93/345753793.db2.gz TWPMDDZIBMBWKJ-HTQZYQBOSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)C(C)(C)C 307015055 345753853 /nfs/dbraw/zinc/75/38/53/345753853.db2.gz TWPMDDZIBMBWKJ-SFYZADRCSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C(C)(C)C 307015055 345753855 /nfs/dbraw/zinc/75/38/55/345753855.db2.gz TWPMDDZIBMBWKJ-SFYZADRCSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)C(C)(C)C 307015053 345753889 /nfs/dbraw/zinc/75/38/89/345753889.db2.gz TWPMDDZIBMBWKJ-JGVFFNPUSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)C(C)(C)C 307015053 345753892 /nfs/dbraw/zinc/75/38/92/345753892.db2.gz TWPMDDZIBMBWKJ-JGVFFNPUSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)C(C)(C)C 307015057 345753969 /nfs/dbraw/zinc/75/39/69/345753969.db2.gz TWPMDDZIBMBWKJ-YUMQZZPRSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)C(C)(C)C 307015057 345753972 /nfs/dbraw/zinc/75/39/72/345753972.db2.gz TWPMDDZIBMBWKJ-YUMQZZPRSA-N 2 2 158.289 1.452 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 307018334 345756251 /nfs/dbraw/zinc/75/62/51/345756251.db2.gz TWJOKYWMGUSAAK-DOLQZWNJSA-N 2 2 168.284 1.077 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 307018334 345756253 /nfs/dbraw/zinc/75/62/53/345756253.db2.gz TWJOKYWMGUSAAK-DOLQZWNJSA-N 2 2 168.284 1.077 10 0 ADAELP C1=CC[NH+](CCNC2=[NH+]CCCC2)C1 307020500 345758014 /nfs/dbraw/zinc/75/80/14/345758014.db2.gz SZFCVHZTKOJKSI-UHFFFAOYSA-N 2 2 193.294 1.030 10 0 ADAELP C[C@H]1CC[C@@H]1[N@@H+]1CC[NH2+][C@H](C)CC1 307022758 345759587 /nfs/dbraw/zinc/75/95/87/345759587.db2.gz HHOOUHKKDNQMOC-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@@H]1[N@H+]1CC[NH2+][C@H](C)CC1 307022758 345759590 /nfs/dbraw/zinc/75/95/90/345759590.db2.gz HHOOUHKKDNQMOC-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H]2CC[C@H]2C)CC[NH2+]1 307022764 345759686 /nfs/dbraw/zinc/75/96/86/345759686.db2.gz HHOOUHKKDNQMOC-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H]2CC[C@H]2C)CC[NH2+]1 307022764 345759689 /nfs/dbraw/zinc/75/96/89/345759689.db2.gz HHOOUHKKDNQMOC-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@H]1[N@@H+]1CC[NH2+][C@H](C)CC1 307022762 345759721 /nfs/dbraw/zinc/75/97/21/345759721.db2.gz HHOOUHKKDNQMOC-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[C@H]1[N@H+]1CC[NH2+][C@H](C)CC1 307022762 345759723 /nfs/dbraw/zinc/75/97/23/345759723.db2.gz HHOOUHKKDNQMOC-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2C)CC[NH2+]1 307022760 345759840 /nfs/dbraw/zinc/75/98/40/345759840.db2.gz HHOOUHKKDNQMOC-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H](Cn2cc[nH+]c2)C1 307027313 345763535 /nfs/dbraw/zinc/76/35/35/345763535.db2.gz ZWAKARCENFRLQC-ZJUUUORDSA-N 2 2 179.267 1.129 10 0 ADAELP C[C@H]1C[NH2+]C[C@H](Cn2cc[nH+]c2)C1 307027310 345763544 /nfs/dbraw/zinc/76/35/44/345763544.db2.gz ZWAKARCENFRLQC-NXEZZACHSA-N 2 2 179.267 1.129 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H](Cn2cc[nH+]c2)C1 307027311 345763585 /nfs/dbraw/zinc/76/35/85/345763585.db2.gz ZWAKARCENFRLQC-UWVGGRQHSA-N 2 2 179.267 1.129 10 0 ADAELP NC(=[NH2+])C[NH+]1CCC2(CCC2)CC1 307031347 345766798 /nfs/dbraw/zinc/76/67/98/345766798.db2.gz PARRJJVXZWONMC-UHFFFAOYSA-N 2 2 181.283 1.188 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[NH2+]CC[C@H]1C 307035373 345768763 /nfs/dbraw/zinc/76/87/63/345768763.db2.gz VGGVSUSFWBNYNJ-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[NH2+]CC[C@H]1C 307035373 345768766 /nfs/dbraw/zinc/76/87/66/345768766.db2.gz VGGVSUSFWBNYNJ-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CC[NH2+]CC[C@@H]1C 307035375 345768822 /nfs/dbraw/zinc/76/88/22/345768822.db2.gz VGGVSUSFWBNYNJ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CC[NH2+]CC[C@@H]1C 307035375 345768823 /nfs/dbraw/zinc/76/88/23/345768823.db2.gz VGGVSUSFWBNYNJ-WDEREUQCSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CC[NH2+]CC[C@H]1C 307035372 345768846 /nfs/dbraw/zinc/76/88/46/345768846.db2.gz VGGVSUSFWBNYNJ-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CC[NH2+]CC[C@H]1C 307035372 345768848 /nfs/dbraw/zinc/76/88/48/345768848.db2.gz VGGVSUSFWBNYNJ-GHMZBOCLSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1[NH+]1CCCCCC1 307035933 345768874 /nfs/dbraw/zinc/76/88/74/345768874.db2.gz WGMPEBOPAICWFO-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CC[NH2+]CC[C@@H]1C 307035374 345768924 /nfs/dbraw/zinc/76/89/24/345768924.db2.gz VGGVSUSFWBNYNJ-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CC[NH2+]CC[C@@H]1C 307035374 345768927 /nfs/dbraw/zinc/76/89/27/345768927.db2.gz VGGVSUSFWBNYNJ-QWRGUYRKSA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)C1([N@@H+]2CCC[NH2+]CC2)CC1 307036006 345768952 /nfs/dbraw/zinc/76/89/52/345768952.db2.gz NYJVZNXULKFGDQ-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)C1([N@H+]2CCC[NH2+]CC2)CC1 307036006 345768955 /nfs/dbraw/zinc/76/89/55/345768955.db2.gz NYJVZNXULKFGDQ-UHFFFAOYSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[NH+]1CCCCCC1 307035937 345769034 /nfs/dbraw/zinc/76/90/34/345769034.db2.gz WGMPEBOPAICWFO-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[NH+]1CCCCCC1 307035939 345769059 /nfs/dbraw/zinc/76/90/59/345769059.db2.gz WGMPEBOPAICWFO-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1[NH+]1CCCCCC1 307035935 345769108 /nfs/dbraw/zinc/76/91/08/345769108.db2.gz WGMPEBOPAICWFO-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)[N@H+](C)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 307038331 345770560 /nfs/dbraw/zinc/77/05/60/345770560.db2.gz GZGDFFQUQGAFQB-UHFZAUJKSA-N 2 2 194.322 1.323 10 0 ADAELP CC(C)[N@@H+](C)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 307038331 345770563 /nfs/dbraw/zinc/77/05/63/345770563.db2.gz GZGDFFQUQGAFQB-UHFZAUJKSA-N 2 2 194.322 1.323 10 0 ADAELP CC(C)[N@H+](C)[C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 307038328 345770666 /nfs/dbraw/zinc/77/06/66/345770666.db2.gz GZGDFFQUQGAFQB-KKJSVHSVSA-N 2 2 194.322 1.323 10 0 ADAELP CC(C)[N@@H+](C)[C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 307038328 345770669 /nfs/dbraw/zinc/77/06/69/345770669.db2.gz GZGDFFQUQGAFQB-KKJSVHSVSA-N 2 2 194.322 1.323 10 0 ADAELP Cc1[nH+]ccn1-c1nc(C[NH3+])cs1 307038535 345771176 /nfs/dbraw/zinc/77/11/76/345771176.db2.gz GDDMZAMBOKVXFS-UHFFFAOYSA-N 2 2 194.263 1.096 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 307039975 345771822 /nfs/dbraw/zinc/77/18/22/345771822.db2.gz QMFAZERVKUSNJS-APPZFPTMSA-N 2 2 165.240 1.298 10 0 ADAELP C[C@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 307039977 345771870 /nfs/dbraw/zinc/77/18/70/345771870.db2.gz QMFAZERVKUSNJS-CBAPKCEASA-N 2 2 165.240 1.298 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccsc1C 307041646 345773026 /nfs/dbraw/zinc/77/30/26/345773026.db2.gz PDGPMPCADGBKJF-QMMMGPOBSA-N 2 2 170.281 1.276 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccsc1C 307041645 345773267 /nfs/dbraw/zinc/77/32/67/345773267.db2.gz PDGPMPCADGBKJF-MRVPVSSYSA-N 2 2 170.281 1.276 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 307042449 345773331 /nfs/dbraw/zinc/77/33/31/345773331.db2.gz LYVVACOQIOTUCG-NOOOWODRSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 307042449 345773334 /nfs/dbraw/zinc/77/33/34/345773334.db2.gz LYVVACOQIOTUCG-NOOOWODRSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]2C[C@H]12 307042451 345773392 /nfs/dbraw/zinc/77/33/92/345773392.db2.gz LYVVACOQIOTUCG-WYUUTHIRSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]2C[C@H]12 307042451 345773394 /nfs/dbraw/zinc/77/33/94/345773394.db2.gz LYVVACOQIOTUCG-WYUUTHIRSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1[C@@H](C)CCC[C@H]1C 307042084 345773486 /nfs/dbraw/zinc/77/34/86/345773486.db2.gz LQAQWYJLDFFOIG-ZRUFSTJUSA-N 2 2 184.327 1.985 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 307042084 345773490 /nfs/dbraw/zinc/77/34/90/345773490.db2.gz LQAQWYJLDFFOIG-ZRUFSTJUSA-N 2 2 184.327 1.985 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1[C@@H](C)CCC[C@@H]1C 307042079 345773515 /nfs/dbraw/zinc/77/35/15/345773515.db2.gz LQAQWYJLDFFOIG-NAKRPEOUSA-N 2 2 184.327 1.985 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]2C[C@H]12 307042450 345773554 /nfs/dbraw/zinc/77/35/54/345773554.db2.gz LYVVACOQIOTUCG-RHYQMDGZSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H]2C[C@H]12 307042450 345773559 /nfs/dbraw/zinc/77/35/59/345773559.db2.gz LYVVACOQIOTUCG-RHYQMDGZSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1[C@H](C)CCC[C@H]1C 307042082 345773677 /nfs/dbraw/zinc/77/36/77/345773677.db2.gz LQAQWYJLDFFOIG-ZNSHCXBVSA-N 2 2 184.327 1.985 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1[C@@H](C)CCC[C@H]1C 307042080 345773786 /nfs/dbraw/zinc/77/37/86/345773786.db2.gz LQAQWYJLDFFOIG-VLEAKVRGSA-N 2 2 184.327 1.985 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1[C@@H](C)CCC[C@H]1C 307042080 345773791 /nfs/dbraw/zinc/77/37/91/345773791.db2.gz LQAQWYJLDFFOIG-VLEAKVRGSA-N 2 2 184.327 1.985 10 0 ADAELP CCC[C@H](C)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307043133 345774138 /nfs/dbraw/zinc/77/41/38/345774138.db2.gz SJXNNBCRBWSZFD-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307043133 345774140 /nfs/dbraw/zinc/77/41/40/345774140.db2.gz SJXNNBCRBWSZFD-HBNTYKKESA-N 2 2 184.327 1.987 10 0 ADAELP CCC1([N@@H+]2CC[NH2+][C@H](C)CC2)CC1 307045218 345775462 /nfs/dbraw/zinc/77/54/62/345775462.db2.gz VCNWAUCUQDBOIL-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CCC1([N@H+]2CC[NH2+][C@H](C)CC2)CC1 307045218 345775466 /nfs/dbraw/zinc/77/54/66/345775466.db2.gz VCNWAUCUQDBOIL-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CCC1([N@@H+]2CC[NH2+][C@@H](C)CC2)CC1 307045217 345775520 /nfs/dbraw/zinc/77/55/20/345775520.db2.gz VCNWAUCUQDBOIL-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC1([N@H+]2CC[NH2+][C@@H](C)CC2)CC1 307045217 345775523 /nfs/dbraw/zinc/77/55/23/345775523.db2.gz VCNWAUCUQDBOIL-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H](C1CC1)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307046366 345776023 /nfs/dbraw/zinc/77/60/23/345776023.db2.gz XNXWSGFIAQNMOQ-FXPVBKGRSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H](C1CC1)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307046366 345776026 /nfs/dbraw/zinc/77/60/26/345776026.db2.gz XNXWSGFIAQNMOQ-FXPVBKGRSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307046367 345776319 /nfs/dbraw/zinc/77/63/19/345776319.db2.gz XNXWSGFIAQNMOQ-IQJOONFLSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307046367 345776323 /nfs/dbraw/zinc/77/63/23/345776323.db2.gz XNXWSGFIAQNMOQ-IQJOONFLSA-N 2 2 182.311 1.597 10 0 ADAELP Cc1[nH+]ccn1-c1ncc(C[NH3+])s1 307049580 345778766 /nfs/dbraw/zinc/77/87/66/345778766.db2.gz CWAPZXPABNEZKP-UHFFFAOYSA-N 2 2 194.263 1.096 10 0 ADAELP Cc1c[nH+]c(NC[C@@H](C)[NH3+])c(C)c1 307050660 345779106 /nfs/dbraw/zinc/77/91/06/345779106.db2.gz ROTKALMIVYTCNQ-SECBINFHSA-N 2 2 179.267 1.458 10 0 ADAELP Cc1c[nH+]c(NC[C@H](C)[NH3+])c(C)c1 307050661 345779201 /nfs/dbraw/zinc/77/92/01/345779201.db2.gz ROTKALMIVYTCNQ-VIFPVBQESA-N 2 2 179.267 1.458 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@H+](C)C1CCCC1 307050691 345779240 /nfs/dbraw/zinc/77/92/40/345779240.db2.gz RSSKJLWAFXQQOH-GXSJLCMTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@@H+](C)C1CCCC1 307050691 345779242 /nfs/dbraw/zinc/77/92/42/345779242.db2.gz RSSKJLWAFXQQOH-GXSJLCMTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1[N@H+](C)C1CCCC1 307050693 345779249 /nfs/dbraw/zinc/77/92/49/345779249.db2.gz RSSKJLWAFXQQOH-MWLCHTKSSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1[N@@H+](C)C1CCCC1 307050693 345779250 /nfs/dbraw/zinc/77/92/50/345779250.db2.gz RSSKJLWAFXQQOH-MWLCHTKSSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@H+](C)C1CCCC1 307050694 345779316 /nfs/dbraw/zinc/77/93/16/345779316.db2.gz RSSKJLWAFXQQOH-ONGXEEELSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[N@@H+](C)C1CCCC1 307050694 345779318 /nfs/dbraw/zinc/77/93/18/345779318.db2.gz RSSKJLWAFXQQOH-ONGXEEELSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1[N@H+](C)C1CCCC1 307050692 345779419 /nfs/dbraw/zinc/77/94/19/345779419.db2.gz RSSKJLWAFXQQOH-KOLCDFICSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1[N@@H+](C)C1CCCC1 307050692 345779421 /nfs/dbraw/zinc/77/94/21/345779421.db2.gz RSSKJLWAFXQQOH-KOLCDFICSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H](C)C1 307057816 345784060 /nfs/dbraw/zinc/78/40/60/345784060.db2.gz FFXWLZVCDUBMRH-TUAOUCFPSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H](C)C1 307057816 345784061 /nfs/dbraw/zinc/78/40/61/345784061.db2.gz FFXWLZVCDUBMRH-TUAOUCFPSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@H](C)C1 307057824 345784074 /nfs/dbraw/zinc/78/40/74/345784074.db2.gz FFXWLZVCDUBMRH-UTUOFQBUSA-N 2 2 198.354 1.948 10 0 ADAELP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@H](C)C1 307057824 345784077 /nfs/dbraw/zinc/78/40/77/345784077.db2.gz FFXWLZVCDUBMRH-UTUOFQBUSA-N 2 2 198.354 1.948 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C[C@H]1[NH3+] 307060439 345785700 /nfs/dbraw/zinc/78/57/00/345785700.db2.gz DEWIMINKTQBPIH-RMPHRYRLSA-N 2 2 194.322 1.454 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C[C@H]1[NH3+] 307060439 345785702 /nfs/dbraw/zinc/78/57/02/345785702.db2.gz DEWIMINKTQBPIH-RMPHRYRLSA-N 2 2 194.322 1.454 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C[C@@H]1[NH3+] 307060436 345785813 /nfs/dbraw/zinc/78/58/13/345785813.db2.gz DEWIMINKTQBPIH-LDMBFOFVSA-N 2 2 194.322 1.454 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C[C@@H]1[NH3+] 307060436 345785814 /nfs/dbraw/zinc/78/58/14/345785814.db2.gz DEWIMINKTQBPIH-LDMBFOFVSA-N 2 2 194.322 1.454 10 0 ADAELP C[NH2+][C@H]1CC[C@](C)(c2cn(C)c[nH+]2)C1 307060653 345786111 /nfs/dbraw/zinc/78/61/11/345786111.db2.gz JPVDHJVZUWXULB-ONGXEEELSA-N 2 2 193.294 1.450 10 0 ADAELP C[NH2+][C@H]1CC[C@@](C)(c2cn(C)c[nH+]2)C1 307060650 345786161 /nfs/dbraw/zinc/78/61/61/345786161.db2.gz JPVDHJVZUWXULB-GXSJLCMTSA-N 2 2 193.294 1.450 10 0 ADAELP C[NH2+][C@@H]1CC[C@](C)(c2cn(C)c[nH+]2)C1 307060651 345786272 /nfs/dbraw/zinc/78/62/72/345786272.db2.gz JPVDHJVZUWXULB-KOLCDFICSA-N 2 2 193.294 1.450 10 0 ADAELP C[NH2+][C@@H]1CC[C@@](C)(c2cn(C)c[nH+]2)C1 307060652 345786375 /nfs/dbraw/zinc/78/63/75/345786375.db2.gz JPVDHJVZUWXULB-MWLCHTKSSA-N 2 2 193.294 1.450 10 0 ADAELP C[C@@H]1CC[C@H]2[C@H](CCC[N@@H+]2CC[NH3+])C1 307065513 345788933 /nfs/dbraw/zinc/78/89/33/345788933.db2.gz RPKXYYDWYAYXEF-UTUOFQBUSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@H]2[C@H](CCC[N@H+]2CC[NH3+])C1 307065513 345788935 /nfs/dbraw/zinc/78/89/35/345788935.db2.gz RPKXYYDWYAYXEF-UTUOFQBUSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@@H]2[C@H](CCC[N@@H+]2CC[NH3+])C1 307065512 345789024 /nfs/dbraw/zinc/78/90/24/345789024.db2.gz RPKXYYDWYAYXEF-IJLUTSLNSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@@H]2[C@H](CCC[N@H+]2CC[NH3+])C1 307065512 345789027 /nfs/dbraw/zinc/78/90/27/345789027.db2.gz RPKXYYDWYAYXEF-IJLUTSLNSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC[NH3+])C1 307065511 345789109 /nfs/dbraw/zinc/78/91/09/345789109.db2.gz RPKXYYDWYAYXEF-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@@H]2[C@@H](CCC[N@H+]2CC[NH3+])C1 307065511 345789113 /nfs/dbraw/zinc/78/91/13/345789113.db2.gz RPKXYYDWYAYXEF-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@H]2[C@@H](CCC[N@@H+]2CC[NH3+])C1 307065514 345789595 /nfs/dbraw/zinc/78/95/95/345789595.db2.gz RPKXYYDWYAYXEF-WOPDTQHZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CC[C@H]2[C@@H](CCC[N@H+]2CC[NH3+])C1 307065514 345789598 /nfs/dbraw/zinc/78/95/98/345789598.db2.gz RPKXYYDWYAYXEF-WOPDTQHZSA-N 2 2 196.338 1.846 10 0 ADAELP Cc1[nH]c(C[C@H](C)[NH3+])[nH+]c1C(C)(C)C 307068085 345790344 /nfs/dbraw/zinc/79/03/44/345790344.db2.gz BRSIBUVYWLEXLC-ZETCQYMHSA-N 2 2 195.310 1.905 10 0 ADAELP Cc1[nH+]c(C[C@H](C)[NH3+])[nH]c1C(C)(C)C 307068085 345790346 /nfs/dbraw/zinc/79/03/46/345790346.db2.gz BRSIBUVYWLEXLC-ZETCQYMHSA-N 2 2 195.310 1.905 10 0 ADAELP Cc1[nH]c(C[C@@H](C)[NH3+])[nH+]c1C(C)(C)C 307068081 345790549 /nfs/dbraw/zinc/79/05/49/345790549.db2.gz BRSIBUVYWLEXLC-SSDOTTSWSA-N 2 2 195.310 1.905 10 0 ADAELP Cc1[nH+]c(C[C@@H](C)[NH3+])[nH]c1C(C)(C)C 307068081 345790552 /nfs/dbraw/zinc/79/05/52/345790552.db2.gz BRSIBUVYWLEXLC-SSDOTTSWSA-N 2 2 195.310 1.905 10 0 ADAELP CC[C@H](C)C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307069375 345791584 /nfs/dbraw/zinc/79/15/84/345791584.db2.gz CSIQIILZYDKYFL-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307069375 345791585 /nfs/dbraw/zinc/79/15/85/345791585.db2.gz CSIQIILZYDKYFL-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1C 307070422 345792154 /nfs/dbraw/zinc/79/21/54/345792154.db2.gz FGGFTTDAOXRJGB-XKNYDFJKSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H](C)[C@@H]1C 307070422 345792155 /nfs/dbraw/zinc/79/21/55/345792155.db2.gz FGGFTTDAOXRJGB-XKNYDFJKSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]1C 307070418 345792165 /nfs/dbraw/zinc/79/21/65/345792165.db2.gz FGGFTTDAOXRJGB-KATARQTJSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]1C 307070418 345792167 /nfs/dbraw/zinc/79/21/67/345792167.db2.gz FGGFTTDAOXRJGB-KATARQTJSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]1C 307070421 345792208 /nfs/dbraw/zinc/79/22/08/345792208.db2.gz FGGFTTDAOXRJGB-RGOKHQFPSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@@H](C)[C@H]1C 307070421 345792209 /nfs/dbraw/zinc/79/22/09/345792209.db2.gz FGGFTTDAOXRJGB-RGOKHQFPSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H](C)[C@H]1C 307070420 345792272 /nfs/dbraw/zinc/79/22/72/345792272.db2.gz FGGFTTDAOXRJGB-QEYWKRMJSA-N 2 2 170.300 1.452 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H](C)[C@H]1C 307070420 345792274 /nfs/dbraw/zinc/79/22/74/345792274.db2.gz FGGFTTDAOXRJGB-QEYWKRMJSA-N 2 2 170.300 1.452 10 0 ADAELP CC1(C)C[NH+](C[C@]2(C)CCC[NH2+]2)C1 307077134 345796543 /nfs/dbraw/zinc/79/65/43/345796543.db2.gz GCLIFPKFZGAHIV-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC1(C)C[NH+](C[C@@]2(C)CCC[NH2+]2)C1 307077131 345796711 /nfs/dbraw/zinc/79/67/11/345796711.db2.gz GCLIFPKFZGAHIV-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP C/C(=C\Cl)C[N@H+]1CC[C@H]([NH3+])[C@H]1C 307084586 345800649 /nfs/dbraw/zinc/80/06/49/345800649.db2.gz WOMFDJXKLODHBA-FQDVODHFSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C\Cl)C[N@@H+]1CC[C@H]([NH3+])[C@H]1C 307084586 345800650 /nfs/dbraw/zinc/80/06/50/345800650.db2.gz WOMFDJXKLODHBA-FQDVODHFSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C\Cl)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 307084589 345800724 /nfs/dbraw/zinc/80/07/24/345800724.db2.gz WOMFDJXKLODHBA-NHELSVQFSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C\Cl)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 307084589 345800725 /nfs/dbraw/zinc/80/07/25/345800725.db2.gz WOMFDJXKLODHBA-NHELSVQFSA-N 2 2 188.702 1.551 10 0 ADAELP Cc1c[nH+]ccc1/C=C/[C@H](C)[NH3+] 307087315 345802078 /nfs/dbraw/zinc/80/20/78/345802078.db2.gz RIILHYUUXHDQMV-NWALNABHSA-N 2 2 162.236 1.750 10 0 ADAELP Cc1c[nH+]ccc1/C=C/[C@@H](C)[NH3+] 307087314 345802512 /nfs/dbraw/zinc/80/25/12/345802512.db2.gz RIILHYUUXHDQMV-CDAZIORVSA-N 2 2 162.236 1.750 10 0 ADAELP Cc1[nH+]cccc1N[C@@H](C)[C@@H](C)[NH3+] 307105634 345812145 /nfs/dbraw/zinc/81/21/45/345812145.db2.gz DBHVNPRAYGJYTR-SFYZADRCSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1[nH+]cccc1N[C@@H](C)[C@H](C)[NH3+] 307105635 345812239 /nfs/dbraw/zinc/81/22/39/345812239.db2.gz DBHVNPRAYGJYTR-YUMQZZPRSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1[nH+]cccc1N[C@H](C)[C@H](C)[NH3+] 307105633 345812586 /nfs/dbraw/zinc/81/25/86/345812586.db2.gz DBHVNPRAYGJYTR-JGVFFNPUSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1[nH+]cccc1N[C@H](C)[C@@H](C)[NH3+] 307105632 345812600 /nfs/dbraw/zinc/81/26/00/345812600.db2.gz DBHVNPRAYGJYTR-HTQZYQBOSA-N 2 2 179.267 1.538 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[NH+]1CC(C)(C)C1 307112727 345816777 /nfs/dbraw/zinc/81/67/77/345816777.db2.gz QHXYSDLXDMDXQQ-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH+]1CC(C)(C)C1 307112729 345816802 /nfs/dbraw/zinc/81/68/02/345816802.db2.gz QHXYSDLXDMDXQQ-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[NH+]1CC(C)(C)C1 307112728 345816924 /nfs/dbraw/zinc/81/69/24/345816924.db2.gz QHXYSDLXDMDXQQ-VHSXEESVSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[NH+]1CC(C)(C)C1 307112726 345817021 /nfs/dbraw/zinc/81/70/21/345817021.db2.gz QHXYSDLXDMDXQQ-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP [NH3+][C@H](C[NH+]1CCC1)C1CCCCCC1 307114143 345817369 /nfs/dbraw/zinc/81/73/69/345817369.db2.gz SLPSXNOBKWVISB-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+][C@@H](C[NH+]1CCC1)C1CCCCCC1 307114144 345817557 /nfs/dbraw/zinc/81/75/57/345817557.db2.gz SLPSXNOBKWVISB-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]2)C1 307128847 345826147 /nfs/dbraw/zinc/82/61/47/345826147.db2.gz JTIGEXQVYKAXLJ-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CC[NH2+]2)C1 307128849 345826107 /nfs/dbraw/zinc/82/61/07/345826107.db2.gz JTIGEXQVYKAXLJ-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]2)C1 307128849 345826109 /nfs/dbraw/zinc/82/61/09/345826109.db2.gz JTIGEXQVYKAXLJ-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CC[NH2+]2)C1 307128847 345826142 /nfs/dbraw/zinc/82/61/42/345826142.db2.gz JTIGEXQVYKAXLJ-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1C[C@H]1CC[NH2+]1 307128848 345826176 /nfs/dbraw/zinc/82/61/76/345826176.db2.gz JTIGEXQVYKAXLJ-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CC[NH2+]1 307128848 345826181 /nfs/dbraw/zinc/82/61/81/345826181.db2.gz JTIGEXQVYKAXLJ-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]([NH3+])c1c[nH+]c(C2(C)CC2)[nH]1 307129830 345826620 /nfs/dbraw/zinc/82/66/20/345826620.db2.gz YGVDFLCZHTYOSR-LURJTMIESA-N 2 2 165.240 1.481 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CC[NH2+]1 307129385 345826864 /nfs/dbraw/zinc/82/68/64/345826864.db2.gz JTIGEXQVYKAXLJ-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]1 307129385 345826866 /nfs/dbraw/zinc/82/68/66/345826866.db2.gz JTIGEXQVYKAXLJ-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c(C2(C)CC2)[nH]1 307129831 345826997 /nfs/dbraw/zinc/82/69/97/345826997.db2.gz YGVDFLCZHTYOSR-ZCFIWIBFSA-N 2 2 165.240 1.481 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])C(C)(C)C)n1C 307130871 345827696 /nfs/dbraw/zinc/82/76/96/345827696.db2.gz GAUQPQPNULGQIN-VIFPVBQESA-N 2 2 181.283 1.774 10 0 ADAELP Cc1[nH+]cc([C@@H]([NH3+])C(C)(C)C)n1C 307130870 345827708 /nfs/dbraw/zinc/82/77/08/345827708.db2.gz GAUQPQPNULGQIN-SECBINFHSA-N 2 2 181.283 1.774 10 0 ADAELP CC1C[NH+](C[C@@]2(C)CCCC[NH2+]2)C1 307132161 345828577 /nfs/dbraw/zinc/82/85/77/345828577.db2.gz GXXZVIIOXOCPPU-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC1C[NH+](C[C@]2(C)CCCC[NH2+]2)C1 307132162 345828893 /nfs/dbraw/zinc/82/88/93/345828893.db2.gz GXXZVIIOXOCPPU-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 307133102 345829474 /nfs/dbraw/zinc/82/94/74/345829474.db2.gz MNDBZTUQEHQFNQ-VPOLOUISSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2[NH3+])[C@@H]1C 307133100 345829485 /nfs/dbraw/zinc/82/94/85/345829485.db2.gz MNDBZTUQEHQFNQ-GWOFURMSSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2[NH3+])[C@@H]1C 307133100 345829489 /nfs/dbraw/zinc/82/94/89/345829489.db2.gz MNDBZTUQEHQFNQ-GWOFURMSSA-N 2 2 182.311 1.597 10 0 ADAELP Cc1c[nH+]cc(CC(C)(C)C[NH3+])c1 307133010 345829567 /nfs/dbraw/zinc/82/95/67/345829567.db2.gz WLMWNNTZEJAUFS-UHFFFAOYSA-N 2 2 178.279 1.917 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 307133099 345829577 /nfs/dbraw/zinc/82/95/77/345829577.db2.gz MNDBZTUQEHQFNQ-CHWFTXMASA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 307133099 345829581 /nfs/dbraw/zinc/82/95/81/345829581.db2.gz MNDBZTUQEHQFNQ-CHWFTXMASA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 307133101 345829620 /nfs/dbraw/zinc/82/96/20/345829620.db2.gz MNDBZTUQEHQFNQ-LMLFDSFASA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 307133101 345829623 /nfs/dbraw/zinc/82/96/23/345829623.db2.gz MNDBZTUQEHQFNQ-LMLFDSFASA-N 2 2 182.311 1.597 10 0 ADAELP C[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H]2C[C@H]21 307140176 345833743 /nfs/dbraw/zinc/83/37/43/345833743.db2.gz HVLZSUYHJUBBMD-IRCOFANPSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@H]2C[C@H]21 307140176 345833746 /nfs/dbraw/zinc/83/37/46/345833746.db2.gz HVLZSUYHJUBBMD-IRCOFANPSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@@H]2C[C@@H]21 307140194 345833902 /nfs/dbraw/zinc/83/39/02/345833902.db2.gz HVLZSUYHJUBBMD-WISYIIOYSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCC[C@@H]2C[C@@H]21 307140194 345833905 /nfs/dbraw/zinc/83/39/05/345833905.db2.gz HVLZSUYHJUBBMD-WISYIIOYSA-N 2 2 194.322 1.469 10 0 ADAELP C1=CC[NH+](C[C@H]2CCCCC[NH2+]2)C1 307141004 345834514 /nfs/dbraw/zinc/83/45/14/345834514.db2.gz IJWDQVATUJQGAS-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP C1=CC[NH+](C[C@@H]2CCCCC[NH2+]2)C1 307141005 345834633 /nfs/dbraw/zinc/83/46/33/345834633.db2.gz IJWDQVATUJQGAS-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 307142662 345835739 /nfs/dbraw/zinc/83/57/39/345835739.db2.gz JZQBPMNCVCQPLZ-MRVPVSSYSA-N 2 2 190.237 1.065 10 0 ADAELP [NH3+][C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 307142663 345835764 /nfs/dbraw/zinc/83/57/64/345835764.db2.gz JZQBPMNCVCQPLZ-QMMMGPOBSA-N 2 2 190.237 1.065 10 0 ADAELP [NH3+][C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 307142663 345835766 /nfs/dbraw/zinc/83/57/66/345835766.db2.gz JZQBPMNCVCQPLZ-QMMMGPOBSA-N 2 2 190.237 1.065 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@@H]2C)C1 307144663 345838172 /nfs/dbraw/zinc/83/81/72/345838172.db2.gz IIXXWCQJONGCDR-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H]2C)C1 307144663 345838175 /nfs/dbraw/zinc/83/81/75/345838175.db2.gz IIXXWCQJONGCDR-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H]2C)C1 307144659 345838240 /nfs/dbraw/zinc/83/82/40/345838240.db2.gz IIXXWCQJONGCDR-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H]2C)C1 307144659 345838242 /nfs/dbraw/zinc/83/82/42/345838242.db2.gz IIXXWCQJONGCDR-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1c(N)cc[nH+]c1C[NH+]1CCC1 307144903 345838258 /nfs/dbraw/zinc/83/82/58/345838258.db2.gz MCGRBSUKVKVHLW-UHFFFAOYSA-N 2 2 177.251 1.178 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@H]2CC[NH2+][C@H]2C)C1 307144661 345838264 /nfs/dbraw/zinc/83/82/64/345838264.db2.gz IIXXWCQJONGCDR-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H]2C)C1 307144661 345838266 /nfs/dbraw/zinc/83/82/66/345838266.db2.gz IIXXWCQJONGCDR-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H]2C)C1 307144660 345838341 /nfs/dbraw/zinc/83/83/41/345838341.db2.gz IIXXWCQJONGCDR-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H]2C)C1 307144660 345838343 /nfs/dbraw/zinc/83/83/43/345838343.db2.gz IIXXWCQJONGCDR-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccoc1 307146013 345839226 /nfs/dbraw/zinc/83/92/26/345839226.db2.gz NFMXUENRWUIVDS-KOLCDFICSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccoc1 307146013 345839229 /nfs/dbraw/zinc/83/92/29/345839229.db2.gz NFMXUENRWUIVDS-KOLCDFICSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccoc1 307146015 345839407 /nfs/dbraw/zinc/83/94/07/345839407.db2.gz NFMXUENRWUIVDS-ONGXEEELSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccoc1 307146015 345839410 /nfs/dbraw/zinc/83/94/10/345839410.db2.gz NFMXUENRWUIVDS-ONGXEEELSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccoc1 307146012 345839513 /nfs/dbraw/zinc/83/95/13/345839513.db2.gz NFMXUENRWUIVDS-GXSJLCMTSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccoc1 307146014 345839601 /nfs/dbraw/zinc/83/96/01/345839601.db2.gz NFMXUENRWUIVDS-MWLCHTKSSA-N 2 2 194.278 1.591 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccoc1 307146014 345839603 /nfs/dbraw/zinc/83/96/03/345839603.db2.gz NFMXUENRWUIVDS-MWLCHTKSSA-N 2 2 194.278 1.591 10 0 ADAELP CCn1cc[nH+]c1[C@H]1[C@H]([NH3+])C1(C)C 307148440 345841380 /nfs/dbraw/zinc/84/13/80/345841380.db2.gz QCWREXAYBKFUBL-SFYZADRCSA-N 2 2 179.267 1.354 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1[C@H]([NH3+])C1(C)C 307148444 345841497 /nfs/dbraw/zinc/84/14/97/345841497.db2.gz QCWREXAYBKFUBL-YUMQZZPRSA-N 2 2 179.267 1.354 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1[C@@H]([NH3+])C1(C)C 307148436 345841583 /nfs/dbraw/zinc/84/15/83/345841583.db2.gz QCWREXAYBKFUBL-JGVFFNPUSA-N 2 2 179.267 1.354 10 0 ADAELP CCn1cc[nH+]c1[C@H]1[C@@H]([NH3+])C1(C)C 307148432 345841565 /nfs/dbraw/zinc/84/15/65/345841565.db2.gz QCWREXAYBKFUBL-HTQZYQBOSA-N 2 2 179.267 1.354 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@H]2CC2(C)C)n1C 307150390 345842730 /nfs/dbraw/zinc/84/27/30/345842730.db2.gz TVXYHHBRQYTEPM-PSASIEDQSA-N 2 2 193.294 1.774 10 0 ADAELP C[C@H]1CC[N@H+](CCF)CCC[NH2+]1 307150677 345842755 /nfs/dbraw/zinc/84/27/55/345842755.db2.gz AHJXDALVHCMFHJ-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP C[C@H]1CC[N@@H+](CCF)CCC[NH2+]1 307150677 345842757 /nfs/dbraw/zinc/84/27/57/345842757.db2.gz AHJXDALVHCMFHJ-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@@H]2CC2(C)C)n1C 307150392 345842768 /nfs/dbraw/zinc/84/27/68/345842768.db2.gz TVXYHHBRQYTEPM-WCBMZHEXSA-N 2 2 193.294 1.774 10 0 ADAELP Cc1[nH+]cc([C@@H]([NH3+])[C@H]2CC2(C)C)n1C 307150391 345842818 /nfs/dbraw/zinc/84/28/18/345842818.db2.gz TVXYHHBRQYTEPM-SCZZXKLOSA-N 2 2 193.294 1.774 10 0 ADAELP Cc1[nH+]cc([C@@H]([NH3+])[C@@H]2CC2(C)C)n1C 307150393 345842927 /nfs/dbraw/zinc/84/29/27/345842927.db2.gz TVXYHHBRQYTEPM-WPRPVWTQSA-N 2 2 193.294 1.774 10 0 ADAELP C[C@@H]1CC[N@H+](CCF)CCC[NH2+]1 307150676 345842944 /nfs/dbraw/zinc/84/29/44/345842944.db2.gz AHJXDALVHCMFHJ-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP C[C@@H]1CC[N@@H+](CCF)CCC[NH2+]1 307150676 345842946 /nfs/dbraw/zinc/84/29/46/345842946.db2.gz AHJXDALVHCMFHJ-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1C1CCCC1 307152136 345844854 /nfs/dbraw/zinc/84/48/54/345844854.db2.gz XDGTYBYNFYGYEC-KOLCDFICSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C1CCCC1 307152136 345844856 /nfs/dbraw/zinc/84/48/56/345844856.db2.gz XDGTYBYNFYGYEC-KOLCDFICSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1C1CCCC1 307152138 345845144 /nfs/dbraw/zinc/84/51/44/345845144.db2.gz XDGTYBYNFYGYEC-ONGXEEELSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1C1CCCC1 307152138 345845147 /nfs/dbraw/zinc/84/51/47/345845147.db2.gz XDGTYBYNFYGYEC-ONGXEEELSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1C1CCCC1 307152135 345845247 /nfs/dbraw/zinc/84/52/47/345845247.db2.gz XDGTYBYNFYGYEC-GXSJLCMTSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1[C@H]([NH3+])CCC[N@H+]1C1CCCC1 307152135 345845248 /nfs/dbraw/zinc/84/52/48/345845248.db2.gz XDGTYBYNFYGYEC-GXSJLCMTSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C1CCCC1 307152137 345845282 /nfs/dbraw/zinc/84/52/82/345845282.db2.gz XDGTYBYNFYGYEC-MWLCHTKSSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C1CCCC1 307152137 345845284 /nfs/dbraw/zinc/84/52/84/345845284.db2.gz XDGTYBYNFYGYEC-MWLCHTKSSA-N 2 2 182.311 1.741 10 0 ADAELP Cc1cccc(N[C@@H](C)[C@@H](C)[NH3+])[nH+]1 307159598 345851593 /nfs/dbraw/zinc/85/15/93/345851593.db2.gz USQMSELUEFKALF-BDAKNGLRSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cccc(N[C@@H](C)[C@H](C)[NH3+])[nH+]1 307159600 345851689 /nfs/dbraw/zinc/85/16/89/345851689.db2.gz USQMSELUEFKALF-IUCAKERBSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cccc(N[C@H](C)[C@H](C)[NH3+])[nH+]1 307159599 345851764 /nfs/dbraw/zinc/85/17/64/345851764.db2.gz USQMSELUEFKALF-DTWKUNHWSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cccc(N[C@H](C)[C@@H](C)[NH3+])[nH+]1 307159601 345851951 /nfs/dbraw/zinc/85/19/51/345851951.db2.gz USQMSELUEFKALF-RKDXNWHRSA-N 2 2 179.267 1.538 10 0 ADAELP CCn1c[nH+]c([C@@H]2CCC[C@H]2[NH3+])c1 307160817 345852390 /nfs/dbraw/zinc/85/23/90/345852390.db2.gz FFNLUPOYWBUKBV-RKDXNWHRSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1c[nH+]c([C@H]2CCC[C@H]2[NH3+])c1 307160814 345852425 /nfs/dbraw/zinc/85/24/25/345852425.db2.gz FFNLUPOYWBUKBV-DTWKUNHWSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1c[nH+]c([C@@H]2CCC[C@@H]2[NH3+])c1 307160813 345852475 /nfs/dbraw/zinc/85/24/75/345852475.db2.gz FFNLUPOYWBUKBV-BDAKNGLRSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1c[nH+]c([C@H]2CCC[C@@H]2[NH3+])c1 307160815 345852744 /nfs/dbraw/zinc/85/27/44/345852744.db2.gz FFNLUPOYWBUKBV-IUCAKERBSA-N 2 2 179.267 1.498 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CCC[C@H]([NH3+])[C@H]1C 307161895 345854047 /nfs/dbraw/zinc/85/40/47/345854047.db2.gz XNXWSGFIAQNMOQ-NGZCFLSTSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CCC[C@H]([NH3+])[C@H]1C 307161895 345854050 /nfs/dbraw/zinc/85/40/50/345854050.db2.gz XNXWSGFIAQNMOQ-NGZCFLSTSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H](C1CC1)[N@@H+]1CCC[C@H]([NH3+])[C@H]1C 307161894 345854338 /nfs/dbraw/zinc/85/43/38/345854338.db2.gz XNXWSGFIAQNMOQ-KKZNHRDASA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H](C1CC1)[N@H+]1CCC[C@H]([NH3+])[C@H]1C 307161894 345854341 /nfs/dbraw/zinc/85/43/41/345854341.db2.gz XNXWSGFIAQNMOQ-KKZNHRDASA-N 2 2 182.311 1.597 10 0 ADAELP CC[C@@]([NH3+])(c1c[nH+]c(C)n1C)C(C)C 307164243 345856372 /nfs/dbraw/zinc/85/63/72/345856372.db2.gz DUGACDJPCWUSLZ-NSHDSACASA-N 2 2 195.310 1.949 10 0 ADAELP CC[C@]([NH3+])(c1c[nH+]c(C)n1C)C(C)C 307164241 345856432 /nfs/dbraw/zinc/85/64/32/345856432.db2.gz DUGACDJPCWUSLZ-LLVKDONJSA-N 2 2 195.310 1.949 10 0 ADAELP CC1(n2c[nH+]cc2C2CC2)C[NH2+]C1 307176677 345866966 /nfs/dbraw/zinc/86/69/66/345866966.db2.gz YUUNUYBFLCDVNO-UHFFFAOYSA-N 2 2 177.251 1.079 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)[C@@H]2CCC[NH2+]2)C1 307187857 345874933 /nfs/dbraw/zinc/87/49/33/345874933.db2.gz WKQPVWTUQABMIH-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)[C@@H]2CCC[NH2+]2)C1 307187857 345874934 /nfs/dbraw/zinc/87/49/34/345874934.db2.gz WKQPVWTUQABMIH-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H](C)C1 307187859 345874971 /nfs/dbraw/zinc/87/49/71/345874971.db2.gz WKQPVWTUQABMIH-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CC[C@@H](C)C1 307187859 345874974 /nfs/dbraw/zinc/87/49/74/345874974.db2.gz WKQPVWTUQABMIH-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)[C@H]2CCC[NH2+]2)C1 307187856 345875108 /nfs/dbraw/zinc/87/51/08/345875108.db2.gz WKQPVWTUQABMIH-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)[C@H]2CCC[NH2+]2)C1 307187856 345875110 /nfs/dbraw/zinc/87/51/10/345875110.db2.gz WKQPVWTUQABMIH-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C 307195852 345881142 /nfs/dbraw/zinc/88/11/42/345881142.db2.gz SGVDKAGXAJBIHR-ZJUUUORDSA-N 2 2 170.300 1.467 10 0 ADAELP 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345881493 /nfs/dbraw/zinc/88/14/93/345881493.db2.gz SGVDKAGXAJBIHR-VHSXEESVSA-N 2 2 170.300 1.467 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@H](C)C2CC2)n1C 307200047 345884888 /nfs/dbraw/zinc/88/48/88/345884888.db2.gz YTGVBIAITGKNBM-RDDDGLTNSA-N 2 2 193.294 1.774 10 0 ADAELP Cc1[nH+]cc([C@@H]([NH3+])[C@@H](C)C2CC2)n1C 307200045 345884993 /nfs/dbraw/zinc/88/49/93/345884993.db2.gz YTGVBIAITGKNBM-CPCISQLKSA-N 2 2 193.294 1.774 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@@H](C)C2CC2)n1C 307200049 345885006 /nfs/dbraw/zinc/88/50/06/345885006.db2.gz YTGVBIAITGKNBM-WRWORJQWSA-N 2 2 193.294 1.774 10 0 ADAELP Cc1[nH+]cc([C@@H]([NH3+])[C@H](C)C2CC2)n1C 307200046 345885205 /nfs/dbraw/zinc/88/52/05/345885205.db2.gz YTGVBIAITGKNBM-HQJQHLMTSA-N 2 2 193.294 1.774 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)C[N@@H+]1C 307204965 345889038 /nfs/dbraw/zinc/88/90/38/345889038.db2.gz GWRPIMTYZLVBJZ-GMTAPVOTSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC2(C)C)C[N@H+]1C 307204965 345889041 /nfs/dbraw/zinc/88/90/41/345889041.db2.gz GWRPIMTYZLVBJZ-GMTAPVOTSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)C[N@@H+]1C 307204967 345889149 /nfs/dbraw/zinc/88/91/49/345889149.db2.gz GWRPIMTYZLVBJZ-OUAUKWLOSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC2(C)C)C[N@H+]1C 307204967 345889152 /nfs/dbraw/zinc/88/91/52/345889152.db2.gz GWRPIMTYZLVBJZ-OUAUKWLOSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)C[N@@H+]1C 307204968 345889191 /nfs/dbraw/zinc/88/91/91/345889191.db2.gz GWRPIMTYZLVBJZ-VWYCJHECSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC2(C)C)C[N@H+]1C 307204968 345889193 /nfs/dbraw/zinc/88/91/93/345889193.db2.gz GWRPIMTYZLVBJZ-VWYCJHECSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC2(C)C)C[N@H+]1C 307204966 345889217 /nfs/dbraw/zinc/88/92/17/345889217.db2.gz GWRPIMTYZLVBJZ-MXWKQRLJSA-N 2 2 196.338 1.857 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1C1CCCC1 307207697 345891224 /nfs/dbraw/zinc/89/12/24/345891224.db2.gz IPQGKFKSEBKONX-NXEZZACHSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1C1CCCC1 307207697 345891226 /nfs/dbraw/zinc/89/12/26/345891226.db2.gz IPQGKFKSEBKONX-NXEZZACHSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1C1CCCC1 307207701 345891392 /nfs/dbraw/zinc/89/13/92/345891392.db2.gz IPQGKFKSEBKONX-VHSXEESVSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1C1CCCC1 307207701 345891395 /nfs/dbraw/zinc/89/13/95/345891395.db2.gz IPQGKFKSEBKONX-VHSXEESVSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1C1CCCC1 307207699 345891414 /nfs/dbraw/zinc/89/14/14/345891414.db2.gz IPQGKFKSEBKONX-UWVGGRQHSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])C[N@H+]1C1CCCC1 307207699 345891417 /nfs/dbraw/zinc/89/14/17/345891417.db2.gz IPQGKFKSEBKONX-UWVGGRQHSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C1CCCC1 307207704 345891518 /nfs/dbraw/zinc/89/15/18/345891518.db2.gz IPQGKFKSEBKONX-ZJUUUORDSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C1CCCC1 307207704 345891519 /nfs/dbraw/zinc/89/15/19/345891519.db2.gz IPQGKFKSEBKONX-ZJUUUORDSA-N 2 2 182.311 1.741 10 0 ADAELP Cc1ccoc1C[NH2+]C1CC[NH2+]CC1 307215434 345896450 /nfs/dbraw/zinc/89/64/50/345896450.db2.gz DVRZKSBRXLTVAS-UHFFFAOYSA-N 2 2 194.278 1.430 10 0 ADAELP C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307218768 345898780 /nfs/dbraw/zinc/89/87/80/345898780.db2.gz NPFZJQDDVVAPJY-GWOFURMSSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307218768 345898782 /nfs/dbraw/zinc/89/87/82/345898782.db2.gz NPFZJQDDVVAPJY-GWOFURMSSA-N 2 2 182.311 1.597 10 0 ADAELP CCC1C[NH+]([C@@H]2C[NH2+][C@H](C)C2)C1 307218940 345898853 /nfs/dbraw/zinc/89/88/53/345898853.db2.gz VWRSFETVICJGER-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1CC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307218770 345899020 /nfs/dbraw/zinc/89/90/20/345899020.db2.gz NPFZJQDDVVAPJY-LNFKQOIKSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@H]1CC[C@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307218770 345899022 /nfs/dbraw/zinc/89/90/22/345899022.db2.gz NPFZJQDDVVAPJY-LNFKQOIKSA-N 2 2 182.311 1.597 10 0 ADAELP CCC1C[NH+]([C@@H]2C[NH2+][C@@H](C)C2)C1 307218942 345899031 /nfs/dbraw/zinc/89/90/31/345899031.db2.gz VWRSFETVICJGER-WPRPVWTQSA-N 2 2 168.284 1.079 10 0 ADAELP CCC1C[NH+]([C@H]2C[NH2+][C@H](C)C2)C1 307218939 345899050 /nfs/dbraw/zinc/89/90/50/345899050.db2.gz VWRSFETVICJGER-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1CC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307218772 345899109 /nfs/dbraw/zinc/89/91/09/345899109.db2.gz NPFZJQDDVVAPJY-ZDCRXTMVSA-N 2 2 182.311 1.597 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@@H]2CCC[C@@H]21 307222256 345901539 /nfs/dbraw/zinc/90/15/39/345901539.db2.gz YTPTUIDVNDQNGL-DCAQKATOSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@@H]2CCC[C@@H]21 307222256 345901542 /nfs/dbraw/zinc/90/15/42/345901542.db2.gz YTPTUIDVNDQNGL-DCAQKATOSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@H]2CCC[C@H]21 307222260 345901578 /nfs/dbraw/zinc/90/15/78/345901578.db2.gz YTPTUIDVNDQNGL-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@H]2CCC[C@H]21 307222260 345901580 /nfs/dbraw/zinc/90/15/80/345901580.db2.gz YTPTUIDVNDQNGL-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@@H]2CCC[C@H]21 307222258 345901634 /nfs/dbraw/zinc/90/16/34/345901634.db2.gz YTPTUIDVNDQNGL-GARJFASQSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@@H]2CCC[C@H]21 307222258 345901635 /nfs/dbraw/zinc/90/16/35/345901635.db2.gz YTPTUIDVNDQNGL-GARJFASQSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@H+]1[C@H](C[NH3+])CC[C@H]2CCC[C@@H]21 307222261 345901721 /nfs/dbraw/zinc/90/17/21/345901721.db2.gz YTPTUIDVNDQNGL-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP CC[N@@H+]1[C@H](C[NH3+])CC[C@H]2CCC[C@@H]21 307222261 345901724 /nfs/dbraw/zinc/90/17/24/345901724.db2.gz YTPTUIDVNDQNGL-VWYCJHECSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)[C@@H]1C 307227356 345904506 /nfs/dbraw/zinc/90/45/06/345904506.db2.gz DHARUDLUSQNDOX-KYXWUPHJSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H](C)[NH3+])[C@@H](C)[C@@H]1C 307227356 345904511 /nfs/dbraw/zinc/90/45/11/345904511.db2.gz DHARUDLUSQNDOX-KYXWUPHJSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])[C@H](C)[C@H]1C 307227353 345904564 /nfs/dbraw/zinc/90/45/64/345904564.db2.gz DHARUDLUSQNDOX-DOLQZWNJSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H](C)[NH3+])[C@H](C)[C@H]1C 307227353 345904566 /nfs/dbraw/zinc/90/45/66/345904566.db2.gz DHARUDLUSQNDOX-DOLQZWNJSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])[C@H](C)[C@@H]1C 307227357 345904846 /nfs/dbraw/zinc/90/48/46/345904846.db2.gz DHARUDLUSQNDOX-ZYUZMQFOSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H](C)[NH3+])[C@H](C)[C@@H]1C 307227357 345904848 /nfs/dbraw/zinc/90/48/48/345904848.db2.gz DHARUDLUSQNDOX-ZYUZMQFOSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)[C@H]1C 307227355 345904895 /nfs/dbraw/zinc/90/48/95/345904895.db2.gz DHARUDLUSQNDOX-IMSYWVGJSA-N 2 2 170.300 1.310 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H](C)[NH3+])[C@@H](C)[C@H]1C 307227355 345904898 /nfs/dbraw/zinc/90/48/98/345904898.db2.gz DHARUDLUSQNDOX-IMSYWVGJSA-N 2 2 170.300 1.310 10 0 ADAELP CC1(C)CCC[N@@H+]1C[C@@H]1CC[NH2+]1 307230274 345906849 /nfs/dbraw/zinc/90/68/49/345906849.db2.gz KOFFPZUEXWBNQZ-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CCC[N@H+]1C[C@@H]1CC[NH2+]1 307230274 345906853 /nfs/dbraw/zinc/90/68/53/345906853.db2.gz KOFFPZUEXWBNQZ-VIFPVBQESA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CCC[N@@H+]1C[C@H]1CC[NH2+]1 307230269 345907278 /nfs/dbraw/zinc/90/72/78/345907278.db2.gz KOFFPZUEXWBNQZ-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CCC[N@H+]1C[C@H]1CC[NH2+]1 307230269 345907282 /nfs/dbraw/zinc/90/72/82/345907282.db2.gz KOFFPZUEXWBNQZ-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])[C@@H](C)[C@@H]1C 307231493 345908304 /nfs/dbraw/zinc/90/83/04/345908304.db2.gz OMHFXYHVHMPMQX-BBBLOLIVSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])[C@@H](C)[C@@H]1C 307231493 345908307 /nfs/dbraw/zinc/90/83/07/345908307.db2.gz OMHFXYHVHMPMQX-BBBLOLIVSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])[C@H](C)[C@@H]1C 307231503 345908417 /nfs/dbraw/zinc/90/84/17/345908417.db2.gz OMHFXYHVHMPMQX-OPRDCNLKSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])[C@H](C)[C@@H]1C 307231503 345908421 /nfs/dbraw/zinc/90/84/21/345908421.db2.gz OMHFXYHVHMPMQX-OPRDCNLKSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])[C@H](C)[C@H]1C 307231498 345908525 /nfs/dbraw/zinc/90/85/25/345908525.db2.gz OMHFXYHVHMPMQX-KXUCPTDWSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])[C@H](C)[C@H]1C 307231498 345908527 /nfs/dbraw/zinc/90/85/27/345908527.db2.gz OMHFXYHVHMPMQX-KXUCPTDWSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])[C@@H](C)[C@H]1C 307231507 345908632 /nfs/dbraw/zinc/90/86/32/345908632.db2.gz OMHFXYHVHMPMQX-UTLUCORTSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])[C@@H](C)[C@H]1C 307231507 345908636 /nfs/dbraw/zinc/90/86/36/345908636.db2.gz OMHFXYHVHMPMQX-UTLUCORTSA-N 2 2 184.327 1.700 10 0 ADAELP Cc1cc[nH+]c(C)c1NC1C[NH2+]C1 307236137 345912575 /nfs/dbraw/zinc/91/25/75/345912575.db2.gz GTIKTRWHXFNASN-UHFFFAOYSA-N 2 2 177.251 1.082 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+]1CC[C@@H]1C 307239296 345914585 /nfs/dbraw/zinc/91/45/85/345914585.db2.gz PLOHLEHMRQAJFF-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+]1CC[C@@H]1C 307239296 345914586 /nfs/dbraw/zinc/91/45/86/345914586.db2.gz PLOHLEHMRQAJFF-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]CC(C)(C)[N@@H+]1CC[C@H]1C 307239295 345914707 /nfs/dbraw/zinc/91/47/07/345914707.db2.gz PLOHLEHMRQAJFF-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]CC(C)(C)[N@H+]1CC[C@H]1C 307239295 345914710 /nfs/dbraw/zinc/91/47/10/345914710.db2.gz PLOHLEHMRQAJFF-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]C(C)(C)[C@@H](F)c1c[nH+]ccc1N 307248302 345920776 /nfs/dbraw/zinc/92/07/76/345920776.db2.gz FDWLOIQSPBMHDD-VIFPVBQESA-N 2 2 197.257 1.672 10 0 ADAELP C[NH2+]C(C)(C)[C@H](F)c1c[nH+]ccc1N 307248301 345921008 /nfs/dbraw/zinc/92/10/08/345921008.db2.gz FDWLOIQSPBMHDD-SECBINFHSA-N 2 2 197.257 1.672 10 0 ADAELP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C(C)(C)C1 307258578 345929626 /nfs/dbraw/zinc/92/96/26/345929626.db2.gz QTQVECFLJQYEQT-VIFPVBQESA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[N@H+](CC(C)(C)[NH3+])C(C)(C)C1 307258577 345929733 /nfs/dbraw/zinc/92/97/33/345929733.db2.gz QTQVECFLJQYEQT-SECBINFHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])C(C)(C)C1 307258577 345929736 /nfs/dbraw/zinc/92/97/36/345929736.db2.gz QTQVECFLJQYEQT-SECBINFHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[C@H]1c1cn(C)c[nH+]1 307262686 345932532 /nfs/dbraw/zinc/93/25/32/345932532.db2.gz XJICPIRHBPGJOL-YIZRAAEISA-N 2 2 179.267 1.261 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[C@@H]1c1cn(C)c[nH+]1 307262683 345932560 /nfs/dbraw/zinc/93/25/60/345932560.db2.gz XJICPIRHBPGJOL-CIUDSAMLSA-N 2 2 179.267 1.261 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CC[C@H]1c1cn(C)c[nH+]1 307262684 345932630 /nfs/dbraw/zinc/93/26/30/345932630.db2.gz XJICPIRHBPGJOL-DJLDLDEBSA-N 2 2 179.267 1.261 10 0 ADAELP C[C@H]1[C@@H](c2cn(C)c[nH+]2)CC[C@H]1[NH3+] 307262685 345932692 /nfs/dbraw/zinc/93/26/92/345932692.db2.gz XJICPIRHBPGJOL-XHNCKOQMSA-N 2 2 179.267 1.261 10 0 ADAELP FC1=CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 307267646 345936189 /nfs/dbraw/zinc/93/61/89/345936189.db2.gz LOJDILAIJYHJMB-SECBINFHSA-N 2 2 184.258 1.155 10 0 ADAELP FC1=CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 307267651 345936180 /nfs/dbraw/zinc/93/61/80/345936180.db2.gz LOJDILAIJYHJMB-VIFPVBQESA-N 2 2 184.258 1.155 10 0 ADAELP FC1=CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 307267651 345936183 /nfs/dbraw/zinc/93/61/83/345936183.db2.gz LOJDILAIJYHJMB-VIFPVBQESA-N 2 2 184.258 1.155 10 0 ADAELP FC1=CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 307267646 345936194 /nfs/dbraw/zinc/93/61/94/345936194.db2.gz LOJDILAIJYHJMB-SECBINFHSA-N 2 2 184.258 1.155 10 0 ADAELP Cc1[nH]c(C[N@@H+]2CCC2(C)C)c[nH+]1 307267720 345936330 /nfs/dbraw/zinc/93/63/30/345936330.db2.gz FCJVTXBMYDJKRQ-UHFFFAOYSA-N 2 2 179.267 1.702 10 0 ADAELP Cc1[nH]c(C[N@H+]2CCC2(C)C)c[nH+]1 307267720 345936332 /nfs/dbraw/zinc/93/63/32/345936332.db2.gz FCJVTXBMYDJKRQ-UHFFFAOYSA-N 2 2 179.267 1.702 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C 307269713 345937067 /nfs/dbraw/zinc/93/70/67/345937067.db2.gz NQTZTTOQPGWOTD-DCAQKATOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C 307269713 345937069 /nfs/dbraw/zinc/93/70/69/345937069.db2.gz NQTZTTOQPGWOTD-DCAQKATOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 307269712 345937166 /nfs/dbraw/zinc/93/71/66/345937166.db2.gz NQTZTTOQPGWOTD-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 307269712 345937168 /nfs/dbraw/zinc/93/71/68/345937168.db2.gz NQTZTTOQPGWOTD-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[NH2+][C@@H]1C[NH+]1CC(C)(C)C1 307275357 345941476 /nfs/dbraw/zinc/94/14/76/345941476.db2.gz QLVRRKBYIBSYCO-VHSXEESVSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CC[NH2+][C@H]1C[NH+]1CC(C)(C)C1 307275356 345941567 /nfs/dbraw/zinc/94/15/67/345941567.db2.gz QLVRRKBYIBSYCO-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[NH+]1CC(C)(C)C1 307275355 345941580 /nfs/dbraw/zinc/94/15/80/345941580.db2.gz QLVRRKBYIBSYCO-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[NH2+][C@H](C)[C@@H]1c1[nH+]ccn1C 307279319 345943447 /nfs/dbraw/zinc/94/34/47/345943447.db2.gz WTGDHWRJYABQBX-IWSPIJDZSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](C)[C@H]1c1[nH+]ccn1C 307279320 345943664 /nfs/dbraw/zinc/94/36/64/345943664.db2.gz WTGDHWRJYABQBX-VGMNWLOBSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@H](C)[C@H]1c1[nH+]ccn1C 307279317 345943679 /nfs/dbraw/zinc/94/36/79/345943679.db2.gz WTGDHWRJYABQBX-HLTSFMKQSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](C)[C@@H]1c1[nH+]ccn1C 307279318 345943718 /nfs/dbraw/zinc/94/37/18/345943718.db2.gz WTGDHWRJYABQBX-HRDYMLBCSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CC1 307282913 345945951 /nfs/dbraw/zinc/94/59/51/345945951.db2.gz HTLMFUVUMIKKDL-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CC1 307282913 345945953 /nfs/dbraw/zinc/94/59/53/345945953.db2.gz HTLMFUVUMIKKDL-UWVGGRQHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CC1 307282918 345946008 /nfs/dbraw/zinc/94/60/08/345946008.db2.gz HTLMFUVUMIKKDL-VHSXEESVSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@@H]1C 307286576 345948115 /nfs/dbraw/zinc/94/81/15/345948115.db2.gz RJBAITFZKKKPMU-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@@H]1C 307286576 345948117 /nfs/dbraw/zinc/94/81/17/345948117.db2.gz RJBAITFZKKKPMU-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+][C@H]1C 307286577 345948135 /nfs/dbraw/zinc/94/81/35/345948135.db2.gz RJBAITFZKKKPMU-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H]1C 307286577 345948138 /nfs/dbraw/zinc/94/81/38/345948138.db2.gz RJBAITFZKKKPMU-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@@H]1C 307286578 345948158 /nfs/dbraw/zinc/94/81/58/345948158.db2.gz RJBAITFZKKKPMU-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@@H]1C 307286578 345948160 /nfs/dbraw/zinc/94/81/60/345948160.db2.gz RJBAITFZKKKPMU-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+][C@H]1C 307286575 345948314 /nfs/dbraw/zinc/94/83/14/345948314.db2.gz RJBAITFZKKKPMU-AXFHLTTASA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H]1C 307286575 345948315 /nfs/dbraw/zinc/94/83/15/345948315.db2.gz RJBAITFZKKKPMU-AXFHLTTASA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH+]1CC(C)(C)C1 307288733 345949100 /nfs/dbraw/zinc/94/91/00/345949100.db2.gz DDLKOLOQBZNHBA-JGVFFNPUSA-N 2 2 156.273 1.064 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CC(C)(C)C1 307288732 345949357 /nfs/dbraw/zinc/94/93/57/345949357.db2.gz DDLKOLOQBZNHBA-HTQZYQBOSA-N 2 2 156.273 1.064 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CC(C)(C)C1 307288734 345949406 /nfs/dbraw/zinc/94/94/06/345949406.db2.gz DDLKOLOQBZNHBA-SFYZADRCSA-N 2 2 156.273 1.064 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1CC(C)(C)C1 307288735 345949437 /nfs/dbraw/zinc/94/94/37/345949437.db2.gz DDLKOLOQBZNHBA-YUMQZZPRSA-N 2 2 156.273 1.064 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@H+](C)C(C)(C)C 307289284 345949733 /nfs/dbraw/zinc/94/97/33/345949733.db2.gz YETOUPWLEGMLEU-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)C(C)(C)C 307289284 345949734 /nfs/dbraw/zinc/94/97/34/345949734.db2.gz YETOUPWLEGMLEU-NXEZZACHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@H+](C)C(C)(C)C 307289285 345949819 /nfs/dbraw/zinc/94/98/19/345949819.db2.gz YETOUPWLEGMLEU-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)C(C)(C)C 307289285 345949822 /nfs/dbraw/zinc/94/98/22/345949822.db2.gz YETOUPWLEGMLEU-UWVGGRQHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@H+](C)C(C)(C)C 307289286 345949940 /nfs/dbraw/zinc/94/99/40/345949940.db2.gz YETOUPWLEGMLEU-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1[N@@H+](C)C(C)(C)C 307289286 345949942 /nfs/dbraw/zinc/94/99/42/345949942.db2.gz YETOUPWLEGMLEU-VHSXEESVSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)C(C)(C)C 307289287 345949971 /nfs/dbraw/zinc/94/99/71/345949971.db2.gz YETOUPWLEGMLEU-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)C(C)(C)C 307289287 345949973 /nfs/dbraw/zinc/94/99/73/345949973.db2.gz YETOUPWLEGMLEU-ZJUUUORDSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1C[NH+]1CCC1 307302884 345957046 /nfs/dbraw/zinc/95/70/46/345957046.db2.gz OAQOGIRLGYLMOW-VHSXEESVSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1C[NH+]1CCC1 307302880 345957057 /nfs/dbraw/zinc/95/70/57/345957057.db2.gz OAQOGIRLGYLMOW-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CCC[NH2+][C@@H]1C[NH+]1CCC1 307302876 345957078 /nfs/dbraw/zinc/95/70/78/345957078.db2.gz OAQOGIRLGYLMOW-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1C[NH+]1CCC1 307302888 345957082 /nfs/dbraw/zinc/95/70/82/345957082.db2.gz OAQOGIRLGYLMOW-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303454 345957399 /nfs/dbraw/zinc/95/73/99/345957399.db2.gz BWAXLTUEMATVKE-DDHJBXDOSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303454 345957401 /nfs/dbraw/zinc/95/74/01/345957401.db2.gz BWAXLTUEMATVKE-DDHJBXDOSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303461 345957610 /nfs/dbraw/zinc/95/76/10/345957610.db2.gz BWAXLTUEMATVKE-QCNOEVLYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303461 345957615 /nfs/dbraw/zinc/95/76/15/345957615.db2.gz BWAXLTUEMATVKE-QCNOEVLYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303455 345957735 /nfs/dbraw/zinc/95/77/35/345957735.db2.gz BWAXLTUEMATVKE-IRCOFANPSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@H]1CCC[C@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303455 345957739 /nfs/dbraw/zinc/95/77/39/345957739.db2.gz BWAXLTUEMATVKE-IRCOFANPSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303457 345957781 /nfs/dbraw/zinc/95/77/81/345957781.db2.gz BWAXLTUEMATVKE-KKOKHZNYSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307303457 345957782 /nfs/dbraw/zinc/95/77/82/345957782.db2.gz BWAXLTUEMATVKE-KKOKHZNYSA-N 2 2 196.338 1.987 10 0 ADAELP CC[C@H](C)C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C 307305259 345958831 /nfs/dbraw/zinc/95/88/31/345958831.db2.gz CSIQIILZYDKYFL-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H](C)C[N@H+]1CCC[C@H]([NH3+])[C@H]1C 307305259 345958832 /nfs/dbraw/zinc/95/88/32/345958832.db2.gz CSIQIILZYDKYFL-AXFHLTTASA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H](c2cn(C)c[nH+]2)C1 307312014 345963594 /nfs/dbraw/zinc/96/35/94/345963594.db2.gz RJXVSEMTLWOIPK-BDAKNGLRSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH+]1CCCC1 307318922 345968237 /nfs/dbraw/zinc/96/82/37/345968237.db2.gz RMSBVAGDCSBSFY-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH+]1CCCC1 307318925 345968298 /nfs/dbraw/zinc/96/82/98/345968298.db2.gz RMSBVAGDCSBSFY-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH+]1CCCC1 307318926 345968375 /nfs/dbraw/zinc/96/83/75/345968375.db2.gz RMSBVAGDCSBSFY-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH+]1CCCC1 307318924 345968448 /nfs/dbraw/zinc/96/84/48/345968448.db2.gz RMSBVAGDCSBSFY-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+]Cc1cnc(-n2cc[nH+]c2)s1 307322468 345970215 /nfs/dbraw/zinc/97/02/15/345970215.db2.gz ZFNLDBQPHNEAFP-UHFFFAOYSA-N 2 2 194.263 1.048 10 0 ADAELP C[C@@]1(C[NH+]2CC=CC2)CCCC[NH2+]1 307324094 345970945 /nfs/dbraw/zinc/97/09/45/345970945.db2.gz DMIXSQNIIYEHHI-NSHDSACASA-N 2 2 180.295 1.390 10 0 ADAELP C[C@]1(C[NH+]2CC=CC2)CCCC[NH2+]1 307324093 345971193 /nfs/dbraw/zinc/97/11/93/345971193.db2.gz DMIXSQNIIYEHHI-LLVKDONJSA-N 2 2 180.295 1.390 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@@H]1[C@H](C)[NH3+] 307324548 345971533 /nfs/dbraw/zinc/97/15/33/345971533.db2.gz HTTPXWKPYYZRCK-GDPRMGEGSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@@H]1[C@@H](C)[NH3+] 307324551 345971549 /nfs/dbraw/zinc/97/15/49/345971549.db2.gz HTTPXWKPYYZRCK-IEBDPFPHSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@H]1[C@@H](C)[NH3+] 307324556 345971605 /nfs/dbraw/zinc/97/16/05/345971605.db2.gz HTTPXWKPYYZRCK-MIMYLULJSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@H]1[C@H](C)[NH3+] 307324553 345971773 /nfs/dbraw/zinc/97/17/73/345971773.db2.gz HTTPXWKPYYZRCK-LSJOCFKGSA-N 2 2 176.263 1.841 10 0 ADAELP C[NH2+][C@H](C)C[NH+]1CC2(CCCC2)C1 307330395 345975492 /nfs/dbraw/zinc/97/54/92/345975492.db2.gz NIHBZGNPWLIHCJ-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[NH2+][C@@H](C)C[NH+]1CC2(CCCC2)C1 307330265 345975521 /nfs/dbraw/zinc/97/55/21/345975521.db2.gz NIHBZGNPWLIHCJ-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[NH2+][C@@H]1C 307331632 345976115 /nfs/dbraw/zinc/97/61/15/345976115.db2.gz PLLTXVQGQTVBEU-CHWFTXMASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@@H+]1CC[C@@H](C)[C@H]1C 307331635 345976167 /nfs/dbraw/zinc/97/61/67/345976167.db2.gz PLLTXVQGQTVBEU-LMLFDSFASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@H+]1CC[C@@H](C)[C@H]1C 307331635 345976168 /nfs/dbraw/zinc/97/61/68/345976168.db2.gz PLLTXVQGQTVBEU-LMLFDSFASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H]2C)[C@@H]1C 307331633 345976184 /nfs/dbraw/zinc/97/61/84/345976184.db2.gz PLLTXVQGQTVBEU-GWOFURMSSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@@H+]1CC[C@@H](C)[C@@H]1C 307331692 345976290 /nfs/dbraw/zinc/97/62/90/345976290.db2.gz PLLTXVQGQTVBEU-VPOLOUISSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[N@H+]1CC[C@@H](C)[C@@H]1C 307331692 345976292 /nfs/dbraw/zinc/97/62/92/345976292.db2.gz PLLTXVQGQTVBEU-VPOLOUISSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CCC[C@@H](Cn2cc[nH+]c2)[NH2+]1 307333820 345977127 /nfs/dbraw/zinc/97/71/27/345977127.db2.gz LIEXTBBFCLJMTM-UWVGGRQHSA-N 2 2 179.267 1.414 10 0 ADAELP C[C@H]1CCC[C@H](Cn2cc[nH+]c2)[NH2+]1 307333821 345977170 /nfs/dbraw/zinc/97/71/70/345977170.db2.gz LIEXTBBFCLJMTM-VHSXEESVSA-N 2 2 179.267 1.414 10 0 ADAELP C[C@@H]1CCC[C@@H](Cn2cc[nH+]c2)[NH2+]1 307333822 345977229 /nfs/dbraw/zinc/97/72/29/345977229.db2.gz LIEXTBBFCLJMTM-ZJUUUORDSA-N 2 2 179.267 1.414 10 0 ADAELP C[C@@H]1CCC[C@H](Cn2cc[nH+]c2)[NH2+]1 307333819 345977242 /nfs/dbraw/zinc/97/72/42/345977242.db2.gz LIEXTBBFCLJMTM-NXEZZACHSA-N 2 2 179.267 1.414 10 0 ADAELP CC[C@]1(C[NH+]2CC3(CC3)C2)CCC[NH2+]1 307335768 345978122 /nfs/dbraw/zinc/97/81/22/345978122.db2.gz RSJIQOUNZJAQAG-GFCCVEGCSA-N 2 2 194.322 1.614 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C[NH+]2CCC2)C1 307336720 345979455 /nfs/dbraw/zinc/97/94/55/345979455.db2.gz NXXGVQJWKISUPZ-UWVGGRQHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](C[NH+]2CCC2)C1 307336723 345979463 /nfs/dbraw/zinc/97/94/63/345979463.db2.gz NXXGVQJWKISUPZ-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H](C[NH+]2CCC2)C1 307336718 345979511 /nfs/dbraw/zinc/97/95/11/345979511.db2.gz NXXGVQJWKISUPZ-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1CC[NH2+][C@@H](C[NH+]2CCC2)C1 307336721 345979639 /nfs/dbraw/zinc/97/96/39/345979639.db2.gz NXXGVQJWKISUPZ-VHSXEESVSA-N 2 2 168.284 1.080 10 0 ADAELP Cn1c[nH+]c(CCC2CC[NH2+]CC2)c1 307338638 345980730 /nfs/dbraw/zinc/98/07/30/345980730.db2.gz HJLMNXXMEYDVLV-UHFFFAOYSA-N 2 2 193.294 1.352 10 0 ADAELP C[NH2+][C@H](C)c1c[nH+]c(C)n1C 307350692 345987449 /nfs/dbraw/zinc/98/74/49/345987449.db2.gz IYUZREQSQPUOBJ-ZCFIWIBFSA-N 2 2 153.229 1.009 10 0 ADAELP C[NH2+][C@@H](C)c1c[nH+]c(C)n1C 307350690 345987498 /nfs/dbraw/zinc/98/74/98/345987498.db2.gz IYUZREQSQPUOBJ-LURJTMIESA-N 2 2 153.229 1.009 10 0 ADAELP Cn1c[nH+]c(CC[C@@H]2CCCC[NH2+]2)c1 307354134 345990346 /nfs/dbraw/zinc/99/03/46/345990346.db2.gz QEQUHZGNNTUUHP-JTQLQIEISA-N 2 2 193.294 1.495 10 0 ADAELP Cn1c[nH+]c(CC[C@H]2CCCC[NH2+]2)c1 307354135 345990558 /nfs/dbraw/zinc/99/05/58/345990558.db2.gz QEQUHZGNNTUUHP-SNVBAGLBSA-N 2 2 193.294 1.495 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 307357907 345992515 /nfs/dbraw/zinc/99/25/15/345992515.db2.gz XOCOITVOHVICHW-YBXAARCKSA-N 2 2 194.322 1.454 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 307357907 345992518 /nfs/dbraw/zinc/99/25/18/345992518.db2.gz XOCOITVOHVICHW-YBXAARCKSA-N 2 2 194.322 1.454 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 307357901 345992540 /nfs/dbraw/zinc/99/25/40/345992540.db2.gz XOCOITVOHVICHW-LDMBFOFVSA-N 2 2 194.322 1.454 10 0 ADAELP Cn1cc[nH+]c1[C@H]1CC[NH2+]C1(C)C 307358181 345992780 /nfs/dbraw/zinc/99/27/80/345992780.db2.gz YDCAEBGGLAUDSO-MRVPVSSYSA-N 2 2 179.267 1.276 10 0 ADAELP Cc1c[nH+]cc(NCC(C)(C)[NH3+])c1 307358206 345992827 /nfs/dbraw/zinc/99/28/27/345992827.db2.gz YERHRMZRVWNXHK-UHFFFAOYSA-N 2 2 179.267 1.539 10 0 ADAELP Cn1cc[nH+]c1[C@@H]1CC[NH2+]C1(C)C 307358182 345992912 /nfs/dbraw/zinc/99/29/12/345992912.db2.gz YDCAEBGGLAUDSO-QMMMGPOBSA-N 2 2 179.267 1.276 10 0 ADAELP C1C[NH2+]CC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 307361004 345994502 /nfs/dbraw/zinc/99/45/02/345994502.db2.gz GVJIIPLKPFMXKT-JGPRNRPPSA-N 2 2 180.295 1.080 10 0 ADAELP C1C[NH2+]CC[N@@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 307361004 345994506 /nfs/dbraw/zinc/99/45/06/345994506.db2.gz GVJIIPLKPFMXKT-JGPRNRPPSA-N 2 2 180.295 1.080 10 0 ADAELP C[C@@H]1C[C@@H]([N@@H+]2CCCC2(C)C)C[NH2+]1 307363436 345995548 /nfs/dbraw/zinc/99/55/48/345995548.db2.gz JYXYMEKINYMAJL-NXEZZACHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@@H]([N@H+]2CCCC2(C)C)C[NH2+]1 307363436 345995549 /nfs/dbraw/zinc/99/55/49/345995549.db2.gz JYXYMEKINYMAJL-NXEZZACHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@H]([N@@H+]2CCCC2(C)C)C[NH2+]1 307363437 345995563 /nfs/dbraw/zinc/99/55/63/345995563.db2.gz JYXYMEKINYMAJL-UWVGGRQHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@H]([N@H+]2CCCC2(C)C)C[NH2+]1 307363437 345995565 /nfs/dbraw/zinc/99/55/65/345995565.db2.gz JYXYMEKINYMAJL-UWVGGRQHSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@H]([N@@H+]2CCCC2(C)C)C[NH2+]1 307363439 345995834 /nfs/dbraw/zinc/99/58/34/345995834.db2.gz JYXYMEKINYMAJL-ZJUUUORDSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@H]([N@H+]2CCCC2(C)C)C[NH2+]1 307363439 345995837 /nfs/dbraw/zinc/99/58/37/345995837.db2.gz JYXYMEKINYMAJL-ZJUUUORDSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@@H]([N@@H+]2CCCC2(C)C)C[NH2+]1 307363438 345995854 /nfs/dbraw/zinc/99/58/54/345995854.db2.gz JYXYMEKINYMAJL-VHSXEESVSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1C[C@@H]([N@H+]2CCCC2(C)C)C[NH2+]1 307363438 345995856 /nfs/dbraw/zinc/99/58/56/345995856.db2.gz JYXYMEKINYMAJL-VHSXEESVSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@H]1[C@H](C)C[N@@H+]1CCn1cc[nH+]c1 307368952 345999017 /nfs/dbraw/zinc/99/90/17/345999017.db2.gz NPMYPQVCKVFTIS-ZJUUUORDSA-N 2 2 179.267 1.223 10 0 ADAELP C[C@H]1[C@H](C)C[N@H+]1CCn1cc[nH+]c1 307368952 345999020 /nfs/dbraw/zinc/99/90/20/345999020.db2.gz NPMYPQVCKVFTIS-ZJUUUORDSA-N 2 2 179.267 1.223 10 0 ADAELP C[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@H]1C 307368950 345999164 /nfs/dbraw/zinc/99/91/64/345999164.db2.gz NPMYPQVCKVFTIS-UWVGGRQHSA-N 2 2 179.267 1.223 10 0 ADAELP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H]1C 307368950 345999167 /nfs/dbraw/zinc/99/91/67/345999167.db2.gz NPMYPQVCKVFTIS-UWVGGRQHSA-N 2 2 179.267 1.223 10 0 ADAELP C[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@@H]1C 307368951 345999274 /nfs/dbraw/zinc/99/92/74/345999274.db2.gz NPMYPQVCKVFTIS-VHSXEESVSA-N 2 2 179.267 1.223 10 0 ADAELP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@H]1C 307368951 345999276 /nfs/dbraw/zinc/99/92/76/345999276.db2.gz NPMYPQVCKVFTIS-VHSXEESVSA-N 2 2 179.267 1.223 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CC2CCC1CC2 307370413 346000272 /nfs/dbraw/zinc/00/02/72/346000272.db2.gz PKFDBKURMSIONW-RTBKNWGFSA-N 2 2 195.310 1.575 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CC2CCC1CC2 307370413 346000276 /nfs/dbraw/zinc/00/02/76/346000276.db2.gz PKFDBKURMSIONW-RTBKNWGFSA-N 2 2 195.310 1.575 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CC2CCC1CC2 307370416 346000431 /nfs/dbraw/zinc/00/04/31/346000431.db2.gz PKFDBKURMSIONW-UDNWOFFPSA-N 2 2 195.310 1.575 10 0 ADAELP CC[C@H](C(N)=[NH2+])[N@H+]1CC2CCC1CC2 307370416 346000435 /nfs/dbraw/zinc/00/04/35/346000435.db2.gz PKFDBKURMSIONW-UDNWOFFPSA-N 2 2 195.310 1.575 10 0 ADAELP [NH3+]CC[C@H]([NH3+])c1ccc(Cl)o1 307373202 346002019 /nfs/dbraw/zinc/00/20/19/346002019.db2.gz RRTKMUCZHORJQO-YFKPBYRVSA-N 2 2 174.631 1.282 10 0 ADAELP CC(C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 307380142 346006034 /nfs/dbraw/zinc/00/60/34/346006034.db2.gz FFWDAIJSRVHPOF-JTQLQIEISA-N 2 2 193.294 1.759 10 0 ADAELP Cc1cc[nH+]c(N[C@H](C)[C@@H](C)[NH3+])c1 307382789 346007374 /nfs/dbraw/zinc/00/73/74/346007374.db2.gz HDLWPSBJLQNXHM-RKDXNWHRSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cc[nH+]c(N[C@@H](C)[C@@H](C)[NH3+])c1 307382783 346007581 /nfs/dbraw/zinc/00/75/81/346007581.db2.gz HDLWPSBJLQNXHM-BDAKNGLRSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cc[nH+]c(N[C@@H](C)[C@H](C)[NH3+])c1 307382787 346007602 /nfs/dbraw/zinc/00/76/02/346007602.db2.gz HDLWPSBJLQNXHM-IUCAKERBSA-N 2 2 179.267 1.538 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C2)[C@@H]1C 307384210 346007999 /nfs/dbraw/zinc/00/79/99/346007999.db2.gz IKFHMGBKEGBGEB-OOCWMUITSA-N 2 2 196.338 1.713 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C2)[C@@H]1C 307384210 346008000 /nfs/dbraw/zinc/00/80/00/346008000.db2.gz IKFHMGBKEGBGEB-OOCWMUITSA-N 2 2 196.338 1.713 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C2)C[C@H]1C 307384212 346008060 /nfs/dbraw/zinc/00/80/60/346008060.db2.gz IKFHMGBKEGBGEB-ZIQFBCGOSA-N 2 2 196.338 1.713 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C2)C[C@H]1C 307384212 346008061 /nfs/dbraw/zinc/00/80/61/346008061.db2.gz IKFHMGBKEGBGEB-ZIQFBCGOSA-N 2 2 196.338 1.713 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[C@H]2C)C[N@H+]1C 307384211 346008117 /nfs/dbraw/zinc/00/81/17/346008117.db2.gz IKFHMGBKEGBGEB-ROHXPCBUSA-N 2 2 196.338 1.713 10 0 ADAELP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[C@H]2C)C[N@@H+]1C 307384211 346008118 /nfs/dbraw/zinc/00/81/18/346008118.db2.gz IKFHMGBKEGBGEB-ROHXPCBUSA-N 2 2 196.338 1.713 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C2)C[C@H]1C 307384209 346008185 /nfs/dbraw/zinc/00/81/85/346008185.db2.gz IKFHMGBKEGBGEB-IIRVCBMXSA-N 2 2 196.338 1.713 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C2)C[C@H]1C 307384209 346008189 /nfs/dbraw/zinc/00/81/89/346008189.db2.gz IKFHMGBKEGBGEB-IIRVCBMXSA-N 2 2 196.338 1.713 10 0 ADAELP Cc1c[nH+]c(N[C@H](C)C[NH3+])c(C)c1 307385430 346008688 /nfs/dbraw/zinc/00/86/88/346008688.db2.gz KPEZIWSPKZCARZ-SECBINFHSA-N 2 2 179.267 1.458 10 0 ADAELP Cc1c[nH+]c(N[C@@H](C)C[NH3+])c(C)c1 307385432 346009181 /nfs/dbraw/zinc/00/91/81/346009181.db2.gz KPEZIWSPKZCARZ-VIFPVBQESA-N 2 2 179.267 1.458 10 0 ADAELP c1[nH]c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]32)c[nH+]1 307393994 346014309 /nfs/dbraw/zinc/01/43/09/346014309.db2.gz CIOFFSFFTIBHLW-FKTZTGRPSA-N 2 2 177.251 1.298 10 0 ADAELP C[C@H]1CC[N@@H+]1[C@H]1CC[NH2+]C1(C)C 307395002 346014491 /nfs/dbraw/zinc/01/44/91/346014491.db2.gz FXIOLOMYXSMSJE-IUCAKERBSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[N@H+]1[C@H]1CC[NH2+]C1(C)C 307395002 346014493 /nfs/dbraw/zinc/01/44/93/346014493.db2.gz FXIOLOMYXSMSJE-IUCAKERBSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@@H]1CC[NH2+]C1(C)C 307395003 346014597 /nfs/dbraw/zinc/01/45/97/346014597.db2.gz FXIOLOMYXSMSJE-RKDXNWHRSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@@H]1CC[NH2+]C1(C)C 307395003 346014602 /nfs/dbraw/zinc/01/46/02/346014602.db2.gz FXIOLOMYXSMSJE-RKDXNWHRSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@H]1CC[NH2+]C1(C)C 307395000 346014748 /nfs/dbraw/zinc/01/47/48/346014748.db2.gz FXIOLOMYXSMSJE-BDAKNGLRSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@H]1CC[NH2+]C1(C)C 307395000 346014751 /nfs/dbraw/zinc/01/47/51/346014751.db2.gz FXIOLOMYXSMSJE-BDAKNGLRSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[N@@H+]1[C@@H]1CC[NH2+]C1(C)C 307395001 346014782 /nfs/dbraw/zinc/01/47/82/346014782.db2.gz FXIOLOMYXSMSJE-DTWKUNHWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[N@H+]1[C@@H]1CC[NH2+]C1(C)C 307395001 346014784 /nfs/dbraw/zinc/01/47/84/346014784.db2.gz FXIOLOMYXSMSJE-DTWKUNHWSA-N 2 2 168.284 1.221 10 0 ADAELP CCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307398164 346016771 /nfs/dbraw/zinc/01/67/71/346016771.db2.gz SJXNNBCRBWSZFD-GMTAPVOTSA-N 2 2 184.327 1.987 10 0 ADAELP CCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307398164 346016772 /nfs/dbraw/zinc/01/67/72/346016772.db2.gz SJXNNBCRBWSZFD-GMTAPVOTSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@@H]1CC[N@H+](CCF)CCC[NH2+]1 307398537 346017260 /nfs/dbraw/zinc/01/72/60/346017260.db2.gz YKDKCZGRLRRMIT-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CC[C@@H]1CC[N@@H+](CCF)CCC[NH2+]1 307398537 346017261 /nfs/dbraw/zinc/01/72/61/346017261.db2.gz YKDKCZGRLRRMIT-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CC[C@H]1CC[N@H+](CCF)CCC[NH2+]1 307398536 346017277 /nfs/dbraw/zinc/01/72/77/346017277.db2.gz YKDKCZGRLRRMIT-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP CC[C@H]1CC[N@@H+](CCF)CCC[NH2+]1 307398536 346017279 /nfs/dbraw/zinc/01/72/79/346017279.db2.gz YKDKCZGRLRRMIT-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP CC(C)[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307398626 346017616 /nfs/dbraw/zinc/01/76/16/346017616.db2.gz UGQUOHYYKAWEJS-GMTAPVOTSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307398626 346017620 /nfs/dbraw/zinc/01/76/20/346017620.db2.gz UGQUOHYYKAWEJS-GMTAPVOTSA-N 2 2 184.327 1.843 10 0 ADAELP Cc1[nH+]cn(-c2c[nH+]ccc2N)c1C 307399770 346018602 /nfs/dbraw/zinc/01/86/02/346018602.db2.gz XVOBHNJUJOYIJP-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP C[C@@H]1C[NH2+]CCC[N@@H+]1CC1CC1 307403476 346021432 /nfs/dbraw/zinc/02/14/32/346021432.db2.gz ATGSNQXAZFVTCH-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1C[NH2+]CCC[N@H+]1CC1CC1 307403476 346021433 /nfs/dbraw/zinc/02/14/33/346021433.db2.gz ATGSNQXAZFVTCH-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1C[NH2+]CCC[N@@H+]1CC1CC1 307403479 346021503 /nfs/dbraw/zinc/02/15/03/346021503.db2.gz ATGSNQXAZFVTCH-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1C[NH2+]CCC[N@H+]1CC1CC1 307403479 346021505 /nfs/dbraw/zinc/02/15/05/346021505.db2.gz ATGSNQXAZFVTCH-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP CC[C@@H]([NH2+]C)c1c[nH+]c(C)n1C 307406251 346023032 /nfs/dbraw/zinc/02/30/32/346023032.db2.gz DDGVMCULFXYDPH-MRVPVSSYSA-N 2 2 167.256 1.399 10 0 ADAELP CC[C@H]([NH2+]C)c1c[nH+]c(C)n1C 307406253 346023190 /nfs/dbraw/zinc/02/31/90/346023190.db2.gz DDGVMCULFXYDPH-QMMMGPOBSA-N 2 2 167.256 1.399 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+][C@@H]2C)C1 307409333 346025310 /nfs/dbraw/zinc/02/53/10/346025310.db2.gz FYLRWZCFYMMSSV-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+][C@@H]2C)C1 307409333 346025311 /nfs/dbraw/zinc/02/53/11/346025311.db2.gz FYLRWZCFYMMSSV-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CC[C@@H](C)C1 307409335 346025367 /nfs/dbraw/zinc/02/53/67/346025367.db2.gz FYLRWZCFYMMSSV-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CC[C@@H](C)C1 307409335 346025371 /nfs/dbraw/zinc/02/53/71/346025371.db2.gz FYLRWZCFYMMSSV-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+]1CC[C@@H](C)C1 307409336 346025382 /nfs/dbraw/zinc/02/53/82/346025382.db2.gz FYLRWZCFYMMSSV-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CC[C@@H](C)C1 307409336 346025385 /nfs/dbraw/zinc/02/53/85/346025385.db2.gz FYLRWZCFYMMSSV-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+][C@@H]2C)C1 307409334 346025448 /nfs/dbraw/zinc/02/54/48/346025448.db2.gz FYLRWZCFYMMSSV-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H]2CCC[NH2+][C@@H]2C)C1 307409334 346025451 /nfs/dbraw/zinc/02/54/51/346025451.db2.gz FYLRWZCFYMMSSV-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC=CC1 307410344 346025950 /nfs/dbraw/zinc/02/59/50/346025950.db2.gz GKWNTUYQSNYGDR-KOLCDFICSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC=CC1 307410344 346025952 /nfs/dbraw/zinc/02/59/52/346025952.db2.gz GKWNTUYQSNYGDR-KOLCDFICSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC=CC1 307410350 346026154 /nfs/dbraw/zinc/02/61/54/346026154.db2.gz GKWNTUYQSNYGDR-ONGXEEELSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC=CC1 307410340 346026174 /nfs/dbraw/zinc/02/61/74/346026174.db2.gz GKWNTUYQSNYGDR-GXSJLCMTSA-N 2 2 180.295 1.245 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC=CC1 307410340 346026175 /nfs/dbraw/zinc/02/61/75/346026175.db2.gz GKWNTUYQSNYGDR-GXSJLCMTSA-N 2 2 180.295 1.245 10 0 ADAELP CNc1cc(C)c(C[NH3+])c(C)[nH+]1 307409480 346026235 /nfs/dbraw/zinc/02/62/35/346026235.db2.gz DXSNGIILQWRYSN-UHFFFAOYSA-N 2 2 165.240 1.199 10 0 ADAELP C1CC[NH2+][C@H](C[NH+]2CCC2)CC1 307413369 346027961 /nfs/dbraw/zinc/02/79/61/346027961.db2.gz UNDGMPRMMBSWHM-JTQLQIEISA-N 2 2 168.284 1.224 10 0 ADAELP C1CC[NH2+][C@@H](C[NH+]2CCC2)CC1 307413370 346028213 /nfs/dbraw/zinc/02/82/13/346028213.db2.gz UNDGMPRMMBSWHM-SNVBAGLBSA-N 2 2 168.284 1.224 10 0 ADAELP CNC(=[NH2+])C[NH+]1CCCCCC1 307416834 346030026 /nfs/dbraw/zinc/03/00/26/346030026.db2.gz WAGJLDFORPUKAD-UHFFFAOYSA-N 2 2 169.272 1.059 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+]([C@H]2CCC(F)(F)C2)C1 307417657 346030500 /nfs/dbraw/zinc/03/05/00/346030500.db2.gz WQPYUSDNVZSDLE-SFYZADRCSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@@H]1CC[N@H+]([C@H]2CCC(F)(F)C2)C1 307417657 346030502 /nfs/dbraw/zinc/03/05/02/346030502.db2.gz WQPYUSDNVZSDLE-SFYZADRCSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCC(F)(F)C2)C1 307417656 346030554 /nfs/dbraw/zinc/03/05/54/346030554.db2.gz WQPYUSDNVZSDLE-JGVFFNPUSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@H]1CC[N@H+]([C@@H]2CCC(F)(F)C2)C1 307417656 346030556 /nfs/dbraw/zinc/03/05/56/346030556.db2.gz WQPYUSDNVZSDLE-JGVFFNPUSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC(F)(F)C2)C1 307417655 346030643 /nfs/dbraw/zinc/03/06/43/346030643.db2.gz WQPYUSDNVZSDLE-HTQZYQBOSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@H]1CC[N@@H+]([C@H]2CCC(F)(F)C2)C1 307417658 346030750 /nfs/dbraw/zinc/03/07/50/346030750.db2.gz WQPYUSDNVZSDLE-YUMQZZPRSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@H]1CC[N@H+]([C@H]2CCC(F)(F)C2)C1 307417658 346030753 /nfs/dbraw/zinc/03/07/53/346030753.db2.gz WQPYUSDNVZSDLE-YUMQZZPRSA-N 2 2 190.237 1.207 10 0 ADAELP Cc1[nH+]cc([C@@]2(F)CC[C@H]([NH3+])C2)n1C 307425904 346034140 /nfs/dbraw/zinc/03/41/40/346034140.db2.gz PZKMOIRMUJCZNQ-WCBMZHEXSA-N 2 2 197.257 1.405 10 0 ADAELP Cc1[nH+]cc([C@@]2(F)CC[C@@H]([NH3+])C2)n1C 307425899 346034219 /nfs/dbraw/zinc/03/42/19/346034219.db2.gz PZKMOIRMUJCZNQ-PSASIEDQSA-N 2 2 197.257 1.405 10 0 ADAELP Cc1[nH+]cc([C@]2(F)CC[C@H]([NH3+])C2)n1C 307425906 346034265 /nfs/dbraw/zinc/03/42/65/346034265.db2.gz PZKMOIRMUJCZNQ-WPRPVWTQSA-N 2 2 197.257 1.405 10 0 ADAELP Cc1[nH+]cc([C@]2(F)CC[C@@H]([NH3+])C2)n1C 307425902 346034395 /nfs/dbraw/zinc/03/43/95/346034395.db2.gz PZKMOIRMUJCZNQ-SCZZXKLOSA-N 2 2 197.257 1.405 10 0 ADAELP C[N@H+]([C@@H]1CCCC[NH2+]C1)C(C)(C)C 307431769 346036364 /nfs/dbraw/zinc/03/63/64/346036364.db2.gz XQTDSMWLHCIMFP-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]([C@@H]1CCCC[NH2+]C1)C(C)(C)C 307431769 346036367 /nfs/dbraw/zinc/03/63/67/346036367.db2.gz XQTDSMWLHCIMFP-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@H+]([C@H]1CCCC[NH2+]C1)C(C)(C)C 307431768 346036386 /nfs/dbraw/zinc/03/63/86/346036386.db2.gz XQTDSMWLHCIMFP-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]([C@H]1CCCC[NH2+]C1)C(C)(C)C 307431768 346036387 /nfs/dbraw/zinc/03/63/87/346036387.db2.gz XQTDSMWLHCIMFP-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]([NH3+])C[NH+]1CCCCCCCC1 307432467 346036849 /nfs/dbraw/zinc/03/68/49/346036849.db2.gz ZLPLSHLOTQYWLI-NSHDSACASA-N 2 2 184.327 1.990 10 0 ADAELP Cc1[nH+]cccc1NCCC(C)(C)[NH3+] 307432452 346036947 /nfs/dbraw/zinc/03/69/47/346036947.db2.gz ZJWPKDNPQVDLAO-UHFFFAOYSA-N 2 2 193.294 1.929 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1Cn1cc[nH+]c1 307433725 346037460 /nfs/dbraw/zinc/03/74/60/346037460.db2.gz LAFCJUXIERDUHR-UWVGGRQHSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@@H]1CCC[NH2+][C@@H]1Cn1cc[nH+]c1 307433724 346037497 /nfs/dbraw/zinc/03/74/97/346037497.db2.gz LAFCJUXIERDUHR-NXEZZACHSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1Cn1cc[nH+]c1 307433728 346037590 /nfs/dbraw/zinc/03/75/90/346037590.db2.gz LAFCJUXIERDUHR-ZJUUUORDSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1Cn1cc[nH+]c1 307433727 346037617 /nfs/dbraw/zinc/03/76/17/346037617.db2.gz LAFCJUXIERDUHR-VHSXEESVSA-N 2 2 179.267 1.271 10 0 ADAELP Cc1sccc1[C@@H]1[C@@H]([NH3+])CC[N@H+]1C 307442247 346042824 /nfs/dbraw/zinc/04/28/24/346042824.db2.gz SMEVVCOZBXBCJC-VHSXEESVSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1sccc1[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C 307442247 346042826 /nfs/dbraw/zinc/04/28/26/346042826.db2.gz SMEVVCOZBXBCJC-VHSXEESVSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1sccc1[C@H]1[C@H]([NH3+])CC[N@H+]1C 307442248 346042903 /nfs/dbraw/zinc/04/29/03/346042903.db2.gz SMEVVCOZBXBCJC-ZJUUUORDSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1sccc1[C@H]1[C@H]([NH3+])CC[N@@H+]1C 307442248 346042907 /nfs/dbraw/zinc/04/29/07/346042907.db2.gz SMEVVCOZBXBCJC-ZJUUUORDSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1sccc1[C@@H]1[C@H]([NH3+])CC[N@H+]1C 307442245 346043009 /nfs/dbraw/zinc/04/30/09/346043009.db2.gz SMEVVCOZBXBCJC-NXEZZACHSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1sccc1[C@@H]1[C@H]([NH3+])CC[N@@H+]1C 307442245 346043013 /nfs/dbraw/zinc/04/30/13/346043013.db2.gz SMEVVCOZBXBCJC-NXEZZACHSA-N 2 2 196.319 1.760 10 0 ADAELP CC/C(=C\c1cn(C)c[nH+]1)C[NH3+] 307446433 346045586 /nfs/dbraw/zinc/04/55/86/346045586.db2.gz HLAXJZNALZDMAR-XBXARRHUSA-N 2 2 165.240 1.172 10 0 ADAELP C/C(=C\c1[nH+]ccn1C)[C@@H](C)[NH3+] 307447147 346045889 /nfs/dbraw/zinc/04/58/89/346045889.db2.gz PUDXBWITYPJGGB-HYDMIIDASA-N 2 2 165.240 1.171 10 0 ADAELP C/C(=C\c1[nH+]ccn1C)[C@H](C)[NH3+] 307447139 346045911 /nfs/dbraw/zinc/04/59/11/346045911.db2.gz PUDXBWITYPJGGB-CZEYKFRCSA-N 2 2 165.240 1.171 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CC1CCC1 307449466 346046986 /nfs/dbraw/zinc/04/69/86/346046986.db2.gz BCJUUIWRLFMDQI-KOLCDFICSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CC1CCC1 307449466 346046987 /nfs/dbraw/zinc/04/69/87/346046987.db2.gz BCJUUIWRLFMDQI-KOLCDFICSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CC1CCC1 307449468 346047097 /nfs/dbraw/zinc/04/70/97/346047097.db2.gz BCJUUIWRLFMDQI-MWLCHTKSSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CC1CCC1 307449468 346047101 /nfs/dbraw/zinc/04/71/01/346047101.db2.gz BCJUUIWRLFMDQI-MWLCHTKSSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CC1CCC1 307449470 346047113 /nfs/dbraw/zinc/04/71/13/346047113.db2.gz BCJUUIWRLFMDQI-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CC1CCC1 307449470 346047116 /nfs/dbraw/zinc/04/71/16/346047116.db2.gz BCJUUIWRLFMDQI-ONGXEEELSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CC1CCC1 307449465 346047252 /nfs/dbraw/zinc/04/72/52/346047252.db2.gz BCJUUIWRLFMDQI-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CC1CCC1 307449465 346047257 /nfs/dbraw/zinc/04/72/57/346047257.db2.gz BCJUUIWRLFMDQI-GXSJLCMTSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@]1(C[NH+]2CCC2)CCCC[NH2+]1 307450949 346048172 /nfs/dbraw/zinc/04/81/72/346048172.db2.gz PDFKRUMYCRNOAZ-SNVBAGLBSA-N 2 2 168.284 1.224 10 0 ADAELP C[C@@]1(C[NH+]2CCC2)CCCC[NH2+]1 307450948 346048254 /nfs/dbraw/zinc/04/82/54/346048254.db2.gz PDFKRUMYCRNOAZ-JTQLQIEISA-N 2 2 168.284 1.224 10 0 ADAELP C[C@H]([NH3+])c1nc(-n2cc[nH+]c2)cs1 307454248 346049782 /nfs/dbraw/zinc/04/97/82/346049782.db2.gz WYTWRRSXGJKJRV-LURJTMIESA-N 2 2 194.263 1.349 10 0 ADAELP C1C[C@H]2[C@H](C1)CC[N@H+]2C[C@H]1CC[NH2+]1 307454318 346049912 /nfs/dbraw/zinc/04/99/12/346049912.db2.gz WFYWPCSMDOPHOF-MXWKQRLJSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@H]2[C@H](C1)CC[N@@H+]2C[C@H]1CC[NH2+]1 307454318 346049916 /nfs/dbraw/zinc/04/99/16/346049916.db2.gz WFYWPCSMDOPHOF-MXWKQRLJSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@@H]([NH3+])c1nc(-n2cc[nH+]c2)cs1 307454249 346049970 /nfs/dbraw/zinc/04/99/70/346049970.db2.gz WYTWRRSXGJKJRV-ZCFIWIBFSA-N 2 2 194.263 1.349 10 0 ADAELP C1C[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+]3)[C@@H]2C1 307454317 346049994 /nfs/dbraw/zinc/04/99/94/346049994.db2.gz WFYWPCSMDOPHOF-GMTAPVOTSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@@H]2CC[N@H+](C[C@H]3CC[NH2+]3)[C@@H]2C1 307454317 346049997 /nfs/dbraw/zinc/04/99/97/346049997.db2.gz WFYWPCSMDOPHOF-GMTAPVOTSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@H]2[C@H](C1)CC[N@H+]2C[C@@H]1CC[NH2+]1 307454320 346050329 /nfs/dbraw/zinc/05/03/29/346050329.db2.gz WFYWPCSMDOPHOF-VWYCJHECSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@H]2[C@H](C1)CC[N@@H+]2C[C@@H]1CC[NH2+]1 307454320 346050331 /nfs/dbraw/zinc/05/03/31/346050331.db2.gz WFYWPCSMDOPHOF-VWYCJHECSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+]3)[C@@H]2C1 307454319 346050539 /nfs/dbraw/zinc/05/05/39/346050539.db2.gz WFYWPCSMDOPHOF-OUAUKWLOSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+]3)[C@@H]2C1 307454319 346050543 /nfs/dbraw/zinc/05/05/43/346050543.db2.gz WFYWPCSMDOPHOF-OUAUKWLOSA-N 2 2 180.295 1.223 10 0 ADAELP CCn1c[nH+]c([C@]2(C)CC[C@H]([NH3+])C2)c1 307458305 346052604 /nfs/dbraw/zinc/05/26/04/346052604.db2.gz DAPSPFXKHOPSNT-GXSJLCMTSA-N 2 2 193.294 1.672 10 0 ADAELP CCn1c[nH+]c([C@]2(C)CC[C@@H]([NH3+])C2)c1 307458327 346052638 /nfs/dbraw/zinc/05/26/38/346052638.db2.gz DAPSPFXKHOPSNT-MWLCHTKSSA-N 2 2 193.294 1.672 10 0 ADAELP CCn1c[nH+]c([C@@]2(C)CC[C@@H]([NH3+])C2)c1 307458316 346052938 /nfs/dbraw/zinc/05/29/38/346052938.db2.gz DAPSPFXKHOPSNT-KOLCDFICSA-N 2 2 193.294 1.672 10 0 ADAELP CCn1c[nH+]c([C@@]2(C)CC[C@H]([NH3+])C2)c1 307458335 346052950 /nfs/dbraw/zinc/05/29/50/346052950.db2.gz DAPSPFXKHOPSNT-ONGXEEELSA-N 2 2 193.294 1.672 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1c1cn(C)c[nH+]1 307464796 346056479 /nfs/dbraw/zinc/05/64/79/346056479.db2.gz HURBPHIADRVWHE-IUCAKERBSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1c1cn(C)c[nH+]1 307464222 346056494 /nfs/dbraw/zinc/05/64/94/346056494.db2.gz HURBPHIADRVWHE-BDAKNGLRSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1c1cn(C)c[nH+]1 307464795 346056753 /nfs/dbraw/zinc/05/67/53/346056753.db2.gz HURBPHIADRVWHE-DTWKUNHWSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1c1cn(C)c[nH+]1 307464797 346056763 /nfs/dbraw/zinc/05/67/63/346056763.db2.gz HURBPHIADRVWHE-RKDXNWHRSA-N 2 2 179.267 1.133 10 0 ADAELP Cc1c[nH+]cc(CC2(C[NH3+])CC2)c1 307466459 346057641 /nfs/dbraw/zinc/05/76/41/346057641.db2.gz JURHLPGATZZEEA-UHFFFAOYSA-N 2 2 176.263 1.671 10 0 ADAELP C[C@H]1C/C(=C/CC[NH3+])c2[nH+]ccn21 307477851 346064644 /nfs/dbraw/zinc/06/46/44/346064644.db2.gz DPUJWKSDJUNRGQ-CLJBBPMWSA-N 2 2 177.251 1.580 10 0 ADAELP C[C@@H]1C/C(=C/CC[NH3+])c2[nH+]ccn21 307477852 346064675 /nfs/dbraw/zinc/06/46/75/346064675.db2.gz DPUJWKSDJUNRGQ-MMEMACFNSA-N 2 2 177.251 1.580 10 0 ADAELP CCC1([N@@H+]2CCC[NH2+][C@H](C)C2)CC1 307479799 346065747 /nfs/dbraw/zinc/06/57/47/346065747.db2.gz OJOUREXDIZIROS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CCC1([N@H+]2CCC[NH2+][C@H](C)C2)CC1 307479799 346065750 /nfs/dbraw/zinc/06/57/50/346065750.db2.gz OJOUREXDIZIROS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CCC1([N@@H+]2CCC[NH2+][C@@H](C)C2)CC1 307479796 346065784 /nfs/dbraw/zinc/06/57/84/346065784.db2.gz OJOUREXDIZIROS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CCC1([N@H+]2CCC[NH2+][C@@H](C)C2)CC1 307479796 346065785 /nfs/dbraw/zinc/06/57/85/346065785.db2.gz OJOUREXDIZIROS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP Cn1c[nH+]c([C@@H]2CCC[C@@H]([NH3+])C2)c1 307481432 346066277 /nfs/dbraw/zinc/06/62/77/346066277.db2.gz LFKUMZUHFHUXFA-RKDXNWHRSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1c[nH+]c([C@H]2CCC[C@@H]([NH3+])C2)c1 307481430 346066478 /nfs/dbraw/zinc/06/64/78/346066478.db2.gz LFKUMZUHFHUXFA-DTWKUNHWSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1c[nH+]c([C@H]2CCC[C@H]([NH3+])C2)c1 307481431 346066375 /nfs/dbraw/zinc/06/63/75/346066375.db2.gz LFKUMZUHFHUXFA-IUCAKERBSA-N 2 2 179.267 1.405 10 0 ADAELP Cn1c[nH+]c([C@@H]2CCC[C@H]([NH3+])C2)c1 307481429 346066485 /nfs/dbraw/zinc/06/64/85/346066485.db2.gz LFKUMZUHFHUXFA-BDAKNGLRSA-N 2 2 179.267 1.405 10 0 ADAELP C[C@@H]1C[NH2+][C@H](C)[C@H]1c1c[nH+]cn1C 307484947 346068820 /nfs/dbraw/zinc/06/88/20/346068820.db2.gz BEIBUVMROMNEFY-MRTMQBJTSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](C)[C@@H]1c1c[nH+]cn1C 307484945 346068865 /nfs/dbraw/zinc/06/88/65/346068865.db2.gz BEIBUVMROMNEFY-KHQFGBGNSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@@H](C)[C@H]1c1c[nH+]cn1C 307484954 346068980 /nfs/dbraw/zinc/06/89/80/346068980.db2.gz BEIBUVMROMNEFY-WEDXCCLWSA-N 2 2 179.267 1.132 10 0 ADAELP C[C@@H]1C[NH2+][C@H](C)[C@@H]1c1c[nH+]cn1C 307484950 346068992 /nfs/dbraw/zinc/06/89/92/346068992.db2.gz BEIBUVMROMNEFY-NQMVMOMDSA-N 2 2 179.267 1.132 10 0 ADAELP CCn1c[nH+]c([C@@H]2CCC[NH2+]C2)c1 307488363 346070090 /nfs/dbraw/zinc/07/00/90/346070090.db2.gz WNKBUPRGFQPSAG-SECBINFHSA-N 2 2 179.267 1.370 10 0 ADAELP CCn1c[nH+]c([C@H]2CCC[NH2+]C2)c1 307488375 346070298 /nfs/dbraw/zinc/07/02/98/346070298.db2.gz WNKBUPRGFQPSAG-VIFPVBQESA-N 2 2 179.267 1.370 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]C2(C)CCC2)C1 307491297 346071601 /nfs/dbraw/zinc/07/16/01/346071601.db2.gz YIKHNMNJTYHOHO-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@@H]([NH2+]C2(C)CCC2)C1 307491297 346071603 /nfs/dbraw/zinc/07/16/03/346071603.db2.gz YIKHNMNJTYHOHO-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1C[C@@H]([NH2+]C2(C)CCC2)[C@H](C)C1 307491294 346071660 /nfs/dbraw/zinc/07/16/60/346071660.db2.gz YIKHNMNJTYHOHO-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1C[C@@H]([NH2+]C2(C)CCC2)[C@H](C)C1 307491294 346071662 /nfs/dbraw/zinc/07/16/62/346071662.db2.gz YIKHNMNJTYHOHO-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2(C)CCC2)C1 307491298 346071683 /nfs/dbraw/zinc/07/16/83/346071683.db2.gz YIKHNMNJTYHOHO-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2(C)CCC2)C1 307491298 346071684 /nfs/dbraw/zinc/07/16/84/346071684.db2.gz YIKHNMNJTYHOHO-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2(C)CCC2)C1 307491296 346071823 /nfs/dbraw/zinc/07/18/23/346071823.db2.gz YIKHNMNJTYHOHO-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1Cc1cn(C)c[nH+]1 307494390 346074005 /nfs/dbraw/zinc/07/40/05/346074005.db2.gz HRWATJAGMXNHOV-VHSXEESVSA-N 2 2 193.294 1.208 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1Cc1cn(C)c[nH+]1 307494394 346074072 /nfs/dbraw/zinc/07/40/72/346074072.db2.gz HRWATJAGMXNHOV-ZJUUUORDSA-N 2 2 193.294 1.208 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1Cc1cn(C)c[nH+]1 307494384 346074230 /nfs/dbraw/zinc/07/42/30/346074230.db2.gz HRWATJAGMXNHOV-NXEZZACHSA-N 2 2 193.294 1.208 10 0 ADAELP C[C@@H]1C[NH2+]CCC[N@@H+]1CC1CCC1 307498926 346075835 /nfs/dbraw/zinc/07/58/35/346075835.db2.gz GXUHTZWCPMYSOZ-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1C[NH2+]CCC[N@H+]1CC1CCC1 307498926 346075838 /nfs/dbraw/zinc/07/58/38/346075838.db2.gz GXUHTZWCPMYSOZ-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[NH2+]CCC[N@@H+]1CC1CCC1 307498925 346076079 /nfs/dbraw/zinc/07/60/79/346076079.db2.gz GXUHTZWCPMYSOZ-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[NH2+]CCC[N@H+]1CC1CCC1 307498925 346076080 /nfs/dbraw/zinc/07/60/80/346076080.db2.gz GXUHTZWCPMYSOZ-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1C[NH2+][C@@H](C)C1 307499713 346076336 /nfs/dbraw/zinc/07/63/36/346076336.db2.gz LLQNUAKLRNFQHS-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1C[NH2+][C@@H](C)C1 307499713 346076339 /nfs/dbraw/zinc/07/63/39/346076339.db2.gz LLQNUAKLRNFQHS-HBNTYKKESA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@H]1C[NH2+][C@H](C)C1 307499711 346076512 /nfs/dbraw/zinc/07/65/12/346076512.db2.gz LLQNUAKLRNFQHS-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@H]1C[NH2+][C@H](C)C1 307499711 346076513 /nfs/dbraw/zinc/07/65/13/346076513.db2.gz LLQNUAKLRNFQHS-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1C[NH2+][C@H](C)C1 307499714 346076569 /nfs/dbraw/zinc/07/65/69/346076569.db2.gz LLQNUAKLRNFQHS-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1C[NH2+][C@H](C)C1 307499714 346076571 /nfs/dbraw/zinc/07/65/71/346076571.db2.gz LLQNUAKLRNFQHS-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@@H+]1[C@@H]1C[NH2+][C@@H](C)C1 307499709 346076597 /nfs/dbraw/zinc/07/65/97/346076597.db2.gz LLQNUAKLRNFQHS-AXFHLTTASA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1CCC[N@H+]1[C@@H]1C[NH2+][C@@H](C)C1 307499709 346076598 /nfs/dbraw/zinc/07/65/98/346076598.db2.gz LLQNUAKLRNFQHS-AXFHLTTASA-N 2 2 182.311 1.611 10 0 ADAELP Cc1cc([C@@H]2[C@@H]([NH3+])CC[N@H+]2C)cs1 307504162 346078791 /nfs/dbraw/zinc/07/87/91/346078791.db2.gz PFRRFYWCCKGZTK-VHSXEESVSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1cc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2C)cs1 307504162 346078792 /nfs/dbraw/zinc/07/87/92/346078792.db2.gz PFRRFYWCCKGZTK-VHSXEESVSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1cc([C@H]2[C@H]([NH3+])CC[N@H+]2C)cs1 307504163 346078816 /nfs/dbraw/zinc/07/88/16/346078816.db2.gz PFRRFYWCCKGZTK-ZJUUUORDSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1cc([C@H]2[C@H]([NH3+])CC[N@@H+]2C)cs1 307504163 346078818 /nfs/dbraw/zinc/07/88/18/346078818.db2.gz PFRRFYWCCKGZTK-ZJUUUORDSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1cc([C@H]2[C@@H]([NH3+])CC[N@H+]2C)cs1 307504161 346078946 /nfs/dbraw/zinc/07/89/46/346078946.db2.gz PFRRFYWCCKGZTK-UWVGGRQHSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1cc([C@H]2[C@@H]([NH3+])CC[N@@H+]2C)cs1 307504161 346078948 /nfs/dbraw/zinc/07/89/48/346078948.db2.gz PFRRFYWCCKGZTK-UWVGGRQHSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1cc([C@@H]2[C@H]([NH3+])CC[N@H+]2C)cs1 307504160 346078957 /nfs/dbraw/zinc/07/89/57/346078957.db2.gz PFRRFYWCCKGZTK-NXEZZACHSA-N 2 2 196.319 1.760 10 0 ADAELP Cc1cc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C)cs1 307504160 346078961 /nfs/dbraw/zinc/07/89/61/346078961.db2.gz PFRRFYWCCKGZTK-NXEZZACHSA-N 2 2 196.319 1.760 10 0 ADAELP C[NH2+][C@@H](c1c[nH+]c(C)n1C)C(C)C 307509120 346081932 /nfs/dbraw/zinc/08/19/32/346081932.db2.gz UWPPYKUPNPGJOV-SNVBAGLBSA-N 2 2 181.283 1.645 10 0 ADAELP CCn1c[nH+]c([C@@H]2CC[C@@H]([NH3+])C2)c1 307510331 346082359 /nfs/dbraw/zinc/08/23/59/346082359.db2.gz CNNLGQHASKXEQP-RKDXNWHRSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1c[nH+]c([C@H]2CC[C@H]([NH3+])C2)c1 307510328 346082477 /nfs/dbraw/zinc/08/24/77/346082477.db2.gz CNNLGQHASKXEQP-IUCAKERBSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1c[nH+]c([C@H]2CC[C@@H]([NH3+])C2)c1 307510325 346082503 /nfs/dbraw/zinc/08/25/03/346082503.db2.gz CNNLGQHASKXEQP-DTWKUNHWSA-N 2 2 179.267 1.498 10 0 ADAELP CCn1c[nH+]c([C@@H]2CC[C@H]([NH3+])C2)c1 307510321 346082567 /nfs/dbraw/zinc/08/25/67/346082567.db2.gz CNNLGQHASKXEQP-BDAKNGLRSA-N 2 2 179.267 1.498 10 0 ADAELP CCC[N@@H+]1CCc2[nH+]c(C)[nH]c2C1 307517458 346086806 /nfs/dbraw/zinc/08/68/06/346086806.db2.gz JKJCESYTKKGCAF-UHFFFAOYSA-N 2 2 179.267 1.486 10 0 ADAELP CCC[N@H+]1CCc2[nH+]c(C)[nH]c2C1 307517458 346086808 /nfs/dbraw/zinc/08/68/08/346086808.db2.gz JKJCESYTKKGCAF-UHFFFAOYSA-N 2 2 179.267 1.486 10 0 ADAELP Cc1sccc1C[N@H+]1CC[C@@H]([NH3+])C1 307518834 346087680 /nfs/dbraw/zinc/08/76/80/346087680.db2.gz VPICDNMWKQDOMD-SNVBAGLBSA-N 2 2 196.319 1.590 10 0 ADAELP [NH3+]CC1([N@@H+]2CC3CCC2CC3)CC1 307518668 346087685 /nfs/dbraw/zinc/08/76/85/346087685.db2.gz LKQMLBUYXMAFAX-UHFFFAOYSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]CC1([N@H+]2CC3CCC2CC3)CC1 307518668 346087689 /nfs/dbraw/zinc/08/76/89/346087689.db2.gz LKQMLBUYXMAFAX-UHFFFAOYSA-N 2 2 180.295 1.352 10 0 ADAELP Cc1sccc1C[N@@H+]1CC[C@H]([NH3+])C1 307518830 346087780 /nfs/dbraw/zinc/08/77/80/346087780.db2.gz VPICDNMWKQDOMD-JTQLQIEISA-N 2 2 196.319 1.590 10 0 ADAELP Cc1sccc1C[N@H+]1CC[C@H]([NH3+])C1 307518830 346087784 /nfs/dbraw/zinc/08/77/84/346087784.db2.gz VPICDNMWKQDOMD-JTQLQIEISA-N 2 2 196.319 1.590 10 0 ADAELP CC[C@H]1C[NH2+]C[C@H]1[NH+]1CC(C)(C)C1 307531237 346094903 /nfs/dbraw/zinc/09/49/03/346094903.db2.gz UBVFWZSZHSBNBL-VHSXEESVSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[NH+]1CC(C)(C)C1 307531239 346094981 /nfs/dbraw/zinc/09/49/81/346094981.db2.gz UBVFWZSZHSBNBL-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[NH+]1CC(C)(C)C1 307531235 346095057 /nfs/dbraw/zinc/09/50/57/346095057.db2.gz UBVFWZSZHSBNBL-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP CC[NH+](CC)[C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 307531677 346095296 /nfs/dbraw/zinc/09/52/96/346095296.db2.gz WFFAQFHLQVXYSD-HBNTYKKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH+](CC)[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 307531676 346095316 /nfs/dbraw/zinc/09/53/16/346095316.db2.gz WFFAQFHLQVXYSD-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH+](CC)[C@@H]1[C@@H](C)CC[NH2+][C@H]1C 307531675 346095486 /nfs/dbraw/zinc/09/54/86/346095486.db2.gz WFFAQFHLQVXYSD-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP CC[NH+](CC)[C@H]1[C@H](C)[NH2+]CC[C@H]1C 307531678 346095515 /nfs/dbraw/zinc/09/55/15/346095515.db2.gz WFFAQFHLQVXYSD-OUAUKWLOSA-N 2 2 184.327 1.715 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2CC[C@H]2C)c[nH+]1 307534925 346097465 /nfs/dbraw/zinc/09/74/65/346097465.db2.gz JPFNLIOCUGTCFN-XCBNKYQSSA-N 2 2 179.267 1.606 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2CC[C@@H]2C)c[nH+]1 307534926 346097473 /nfs/dbraw/zinc/09/74/73/346097473.db2.gz JPFNLIOCUGTCFN-XVKPBYJWSA-N 2 2 179.267 1.606 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2CC[C@@H]2C)c[nH+]1 307534924 346097483 /nfs/dbraw/zinc/09/74/83/346097483.db2.gz JPFNLIOCUGTCFN-OIBJUYFYSA-N 2 2 179.267 1.606 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2CC[C@H]2C)c[nH+]1 307534923 346097661 /nfs/dbraw/zinc/09/76/61/346097661.db2.gz JPFNLIOCUGTCFN-GMSGAONNSA-N 2 2 179.267 1.606 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H](C)[C@H](C)[NH3+])C(C)(C)C1 307536701 346098526 /nfs/dbraw/zinc/09/85/26/346098526.db2.gz QARXEYYTRAKQJU-GUBZILKMSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H](C)[C@H](C)[NH3+])C(C)(C)C1 307536701 346098528 /nfs/dbraw/zinc/09/85/28/346098528.db2.gz QARXEYYTRAKQJU-GUBZILKMSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)[C@H](C)[NH3+])C(C)(C)C1 307536704 346098749 /nfs/dbraw/zinc/09/87/49/346098749.db2.gz QARXEYYTRAKQJU-LPEHRKFASA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[N@H+]([C@H](C)[C@H](C)[NH3+])C(C)(C)C1 307536704 346098751 /nfs/dbraw/zinc/09/87/51/346098751.db2.gz QARXEYYTRAKQJU-LPEHRKFASA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H](C)[C@@H](C)[NH3+])C(C)(C)C1 307536700 346098756 /nfs/dbraw/zinc/09/87/56/346098756.db2.gz QARXEYYTRAKQJU-AEJSXWLSSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H](C)[C@@H](C)[NH3+])C(C)(C)C1 307536700 346098758 /nfs/dbraw/zinc/09/87/58/346098758.db2.gz QARXEYYTRAKQJU-AEJSXWLSSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)[C@@H](C)[NH3+])C(C)(C)C1 307536703 346098799 /nfs/dbraw/zinc/09/87/99/346098799.db2.gz QARXEYYTRAKQJU-IVZWLZJFSA-N 2 2 184.327 1.843 10 0 ADAELP C[C@@H]1C[N@H+]([C@H](C)[C@@H](C)[NH3+])C(C)(C)C1 307536703 346098801 /nfs/dbraw/zinc/09/88/01/346098801.db2.gz QARXEYYTRAKQJU-IVZWLZJFSA-N 2 2 184.327 1.843 10 0 ADAELP Cc1[nH+]cc([C@@](C)(F)[C@H](C)[NH3+])n1C 307537386 346099047 /nfs/dbraw/zinc/09/90/47/346099047.db2.gz JHQICDLJLAGLIM-RCOVLWMOSA-N 2 2 185.246 1.260 10 0 ADAELP Cc1[nH+]cc([C@@](C)(F)[C@@H](C)[NH3+])n1C 307537383 346099101 /nfs/dbraw/zinc/09/91/01/346099101.db2.gz JHQICDLJLAGLIM-MUWHJKNJSA-N 2 2 185.246 1.260 10 0 ADAELP CC[C@@H]1C[NH2+]CC[C@@H]1c1cn(C)c[nH+]1 307537455 346099112 /nfs/dbraw/zinc/09/91/12/346099112.db2.gz QUUZPURKVSYWQD-ZJUUUORDSA-N 2 2 193.294 1.523 10 0 ADAELP CC[C@@H]1C[NH2+]CC[C@H]1c1cn(C)c[nH+]1 307537448 346099119 /nfs/dbraw/zinc/09/91/19/346099119.db2.gz QUUZPURKVSYWQD-NXEZZACHSA-N 2 2 193.294 1.523 10 0 ADAELP Cc1[nH+]cc([C@](C)(F)[C@H](C)[NH3+])n1C 307537379 346099158 /nfs/dbraw/zinc/09/91/58/346099158.db2.gz JHQICDLJLAGLIM-IMTBSYHQSA-N 2 2 185.246 1.260 10 0 ADAELP Cc1[nH+]cc([C@](C)(F)[C@@H](C)[NH3+])n1C 307537375 346099193 /nfs/dbraw/zinc/09/91/93/346099193.db2.gz JHQICDLJLAGLIM-HZGVNTEJSA-N 2 2 185.246 1.260 10 0 ADAELP CC[C@H]1C[NH2+]CC[C@H]1c1cn(C)c[nH+]1 307537453 346099313 /nfs/dbraw/zinc/09/93/13/346099313.db2.gz QUUZPURKVSYWQD-VHSXEESVSA-N 2 2 193.294 1.523 10 0 ADAELP CC[C@H]1C[NH2+]CC[C@@H]1c1cn(C)c[nH+]1 307537450 346099378 /nfs/dbraw/zinc/09/93/78/346099378.db2.gz QUUZPURKVSYWQD-UWVGGRQHSA-N 2 2 193.294 1.523 10 0 ADAELP Cc1[nH+]c[nH]c1CNC(=[NH2+])C(C)(C)C 307540906 346100774 /nfs/dbraw/zinc/10/07/74/346100774.db2.gz WTNFUCASRJZRGH-UHFFFAOYSA-N 2 2 194.282 1.831 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH+]1CC2(CC2)C1 307543711 346102867 /nfs/dbraw/zinc/10/28/67/346102867.db2.gz FSQYDHVBRCODOW-ZJUUUORDSA-N 2 2 180.295 1.080 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[NH+]1CC2(CC2)C1 307543708 346102900 /nfs/dbraw/zinc/10/29/00/346102900.db2.gz FSQYDHVBRCODOW-NXEZZACHSA-N 2 2 180.295 1.080 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1[NH+]1CC2(CC2)C1 307543709 346102946 /nfs/dbraw/zinc/10/29/46/346102946.db2.gz FSQYDHVBRCODOW-UWVGGRQHSA-N 2 2 180.295 1.080 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1[NH+]1CC2(CC2)C1 307543710 346103028 /nfs/dbraw/zinc/10/30/28/346103028.db2.gz FSQYDHVBRCODOW-VHSXEESVSA-N 2 2 180.295 1.080 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CC2(CCC2)C1 307545828 346103929 /nfs/dbraw/zinc/10/39/29/346103929.db2.gz KPKWPDZACZSOHA-RKDXNWHRSA-N 2 2 168.284 1.208 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[NH+]1CC2(CCC2)C1 307545826 346103960 /nfs/dbraw/zinc/10/39/60/346103960.db2.gz KPKWPDZACZSOHA-IUCAKERBSA-N 2 2 168.284 1.208 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CC2(CCC2)C1 307545823 346104007 /nfs/dbraw/zinc/10/40/07/346104007.db2.gz KPKWPDZACZSOHA-BDAKNGLRSA-N 2 2 168.284 1.208 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[NH+]1CC2(CCC2)C1 307545824 346104037 /nfs/dbraw/zinc/10/40/37/346104037.db2.gz KPKWPDZACZSOHA-DTWKUNHWSA-N 2 2 168.284 1.208 10 0 ADAELP C[C@H]1CCC[NH2+][C@H]1C[NH+]1CC=CC1 307553211 346108854 /nfs/dbraw/zinc/10/88/54/346108854.db2.gz DNXSFEWFHQUQGY-QWRGUYRKSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@H]1CCC[NH2+][C@@H]1C[NH+]1CC=CC1 307553212 346108952 /nfs/dbraw/zinc/10/89/52/346108952.db2.gz DNXSFEWFHQUQGY-WDEREUQCSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@@H]1CCC[NH2+][C@@H]1C[NH+]1CC=CC1 307553209 346109046 /nfs/dbraw/zinc/10/90/46/346109046.db2.gz DNXSFEWFHQUQGY-GHMZBOCLSA-N 2 2 180.295 1.246 10 0 ADAELP C[C@H]([NH3+])c1c[nH+]c(C2CC2)[nH]1 307553872 346109067 /nfs/dbraw/zinc/10/90/67/346109067.db2.gz RSHARWKGAAJDCW-YFKPBYRVSA-N 2 2 151.213 1.307 10 0 ADAELP C[C@@H]1CCC[NH2+][C@H]1C[NH+]1CC=CC1 307553210 346109075 /nfs/dbraw/zinc/10/90/75/346109075.db2.gz DNXSFEWFHQUQGY-MNOVXSKESA-N 2 2 180.295 1.246 10 0 ADAELP CCC1(CC)C[NH+]([C@H]2CC[NH2+][C@H]2C)C1 307556036 346110579 /nfs/dbraw/zinc/11/05/79/346110579.db2.gz YQJLDBLPYQFQQO-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(CC)C[NH+]([C@@H]2CC[NH2+][C@@H]2C)C1 307556034 346110522 /nfs/dbraw/zinc/11/05/22/346110522.db2.gz YQJLDBLPYQFQQO-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(CC)C[NH+]([C@@H]2CC[NH2+][C@H]2C)C1 307556037 346110602 /nfs/dbraw/zinc/11/06/02/346110602.db2.gz YQJLDBLPYQFQQO-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(CC)C[NH+]([C@H]2CC[NH2+][C@@H]2C)C1 307556035 346110619 /nfs/dbraw/zinc/11/06/19/346110619.db2.gz YQJLDBLPYQFQQO-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP Cc1c[nH+]ccc1[C@H]1C[C@@H]1C[NH3+] 307563996 346115146 /nfs/dbraw/zinc/11/51/46/346115146.db2.gz PWJGAMXORIHJGV-SCZZXKLOSA-N 2 2 162.236 1.452 10 0 ADAELP Cc1c[nH+]ccc1[C@H]1C[C@H]1C[NH3+] 307564000 346115023 /nfs/dbraw/zinc/11/50/23/346115023.db2.gz PWJGAMXORIHJGV-WPRPVWTQSA-N 2 2 162.236 1.452 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1c1[nH+]ccn1C 307563585 346115037 /nfs/dbraw/zinc/11/50/37/346115037.db2.gz POQRWNBEDKXWRN-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP CC[C@H]1[NH2+]CC[C@@H]1c1[nH+]ccn1C 307563584 346115041 /nfs/dbraw/zinc/11/50/41/346115041.db2.gz POQRWNBEDKXWRN-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@@H]1C[NH3+] 307563994 346115061 /nfs/dbraw/zinc/11/50/61/346115061.db2.gz PWJGAMXORIHJGV-PSASIEDQSA-N 2 2 162.236 1.452 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@H]1C[NH3+] 307563997 346115065 /nfs/dbraw/zinc/11/50/65/346115065.db2.gz PWJGAMXORIHJGV-WCBMZHEXSA-N 2 2 162.236 1.452 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]1c1[nH+]ccn1C 307563583 346115089 /nfs/dbraw/zinc/11/50/89/346115089.db2.gz POQRWNBEDKXWRN-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP CC[C@H]1[NH2+]CC[C@H]1c1[nH+]ccn1C 307563587 346115140 /nfs/dbraw/zinc/11/51/40/346115140.db2.gz POQRWNBEDKXWRN-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCCC[C@H]32)C1 307573020 346121372 /nfs/dbraw/zinc/12/13/72/346121372.db2.gz ZPCDFAOLBRTNDH-WYUUTHIRSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCCC[C@H]32)C1 307573020 346121377 /nfs/dbraw/zinc/12/13/77/346121377.db2.gz ZPCDFAOLBRTNDH-WYUUTHIRSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCCC[C@H]32)C1 307573018 346121641 /nfs/dbraw/zinc/12/16/41/346121641.db2.gz ZPCDFAOLBRTNDH-NNYUYHANSA-N 2 2 194.322 1.469 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCCC[C@H]32)C1 307573018 346121643 /nfs/dbraw/zinc/12/16/43/346121643.db2.gz ZPCDFAOLBRTNDH-NNYUYHANSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@]1(C[NH+]2CC3(CC3)C2)CCC[NH2+]1 307573534 346122157 /nfs/dbraw/zinc/12/21/57/346122157.db2.gz FTNXNNLEKCOPKR-SNVBAGLBSA-N 2 2 180.295 1.224 10 0 ADAELP C[C@@]1(C[NH+]2CC3(CC3)C2)CCC[NH2+]1 307573533 346122263 /nfs/dbraw/zinc/12/22/63/346122263.db2.gz FTNXNNLEKCOPKR-JTQLQIEISA-N 2 2 180.295 1.224 10 0 ADAELP C1CC[C@@H]2[NH2+][C@@H](C[NH+]3CCC3)C[C@@H]2C1 307578612 346125179 /nfs/dbraw/zinc/12/51/79/346125179.db2.gz SEIRXIPYLFJAQB-TUAOUCFPSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@H]1C[C@H]([NH+]2CC(C)(C)C2)C[NH2+]1 307578379 346125209 /nfs/dbraw/zinc/12/52/09/346125209.db2.gz RPKBJZKLTCTGNU-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C1CC[C@@H]2C[C@H](C[NH+]3CCC3)[NH2+][C@H]2C1 307578613 346125218 /nfs/dbraw/zinc/12/52/18/346125218.db2.gz SEIRXIPYLFJAQB-UTUOFQBUSA-N 2 2 194.322 1.613 10 0 ADAELP C1CC[C@@H]2[NH2+][C@H](C[NH+]3CCC3)C[C@@H]2C1 307578611 346125248 /nfs/dbraw/zinc/12/52/48/346125248.db2.gz SEIRXIPYLFJAQB-SRVKXCTJSA-N 2 2 194.322 1.613 10 0 ADAELP C1CC[C@@H]2C[C@@H](C[NH+]3CCC3)[NH2+][C@H]2C1 307578614 346125353 /nfs/dbraw/zinc/12/53/53/346125353.db2.gz SEIRXIPYLFJAQB-WOPDTQHZSA-N 2 2 194.322 1.613 10 0 ADAELP C[C@H]1C[C@@H]([NH+]2CC(C)(C)C2)C[NH2+]1 307578378 346125365 /nfs/dbraw/zinc/12/53/65/346125365.db2.gz RPKBJZKLTCTGNU-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]([NH+]2CC(C)(C)C2)C[NH2+]1 307578380 346125372 /nfs/dbraw/zinc/12/53/72/346125372.db2.gz RPKBJZKLTCTGNU-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@H]([NH+]2CC(C)(C)C2)C[NH2+]1 307578377 346125382 /nfs/dbraw/zinc/12/53/82/346125382.db2.gz RPKBJZKLTCTGNU-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C(C)(C)C)C[N@@H+]1C 307579204 346125832 /nfs/dbraw/zinc/12/58/32/346125832.db2.gz PEDLKOSOZIFVFV-DTWKUNHWSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]C(C)(C)C)C[N@H+]1C 307579204 346125834 /nfs/dbraw/zinc/12/58/34/346125834.db2.gz PEDLKOSOZIFVFV-DTWKUNHWSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C(C)(C)C)C[N@@H+]1C 307579203 346125843 /nfs/dbraw/zinc/12/58/43/346125843.db2.gz PEDLKOSOZIFVFV-BDAKNGLRSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C(C)(C)C)C[N@H+]1C 307579203 346125846 /nfs/dbraw/zinc/12/58/46/346125846.db2.gz PEDLKOSOZIFVFV-BDAKNGLRSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)C[N@H+]1C 307579206 346125905 /nfs/dbraw/zinc/12/59/05/346125905.db2.gz PEDLKOSOZIFVFV-RKDXNWHRSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C(C)(C)C)C[N@@H+]1C 307579205 346125951 /nfs/dbraw/zinc/12/59/51/346125951.db2.gz PEDLKOSOZIFVFV-IUCAKERBSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@H]1C[C@H]([NH2+]C(C)(C)C)C[N@H+]1C 307579205 346125953 /nfs/dbraw/zinc/12/59/53/346125953.db2.gz PEDLKOSOZIFVFV-IUCAKERBSA-N 2 2 170.300 1.467 10 0 ADAELP CC1C[NH+](C[C@@]2(C)CCC[NH2+]2)C1 307584044 346128577 /nfs/dbraw/zinc/12/85/77/346128577.db2.gz GWCZYVOWMCFDKD-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 307584391 346128648 /nfs/dbraw/zinc/12/86/48/346128648.db2.gz IEVQCLAGMRXQBH-OPRDCNLKSA-N 2 2 170.300 1.597 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 307584391 346128651 /nfs/dbraw/zinc/12/86/51/346128651.db2.gz IEVQCLAGMRXQBH-OPRDCNLKSA-N 2 2 170.300 1.597 10 0 ADAELP CC1C[NH+](C[C@]2(C)CCC[NH2+]2)C1 307584043 346128964 /nfs/dbraw/zinc/12/89/64/346128964.db2.gz GWCZYVOWMCFDKD-JTQLQIEISA-N 2 2 168.284 1.080 10 0 ADAELP C[NH+]1CC(CNc2cccc[nH+]2)C1 307584426 346129491 /nfs/dbraw/zinc/12/94/91/346129491.db2.gz IIQGXRXMSMOBPJ-UHFFFAOYSA-N 2 2 177.251 1.055 10 0 ADAELP C[C@@H]1CCC[C@H]1c1[nH]c(C[NH3+])c[nH+]1 307586605 346130323 /nfs/dbraw/zinc/13/03/23/346130323.db2.gz QEAQARZYYONTEV-VXNVDRBHSA-N 2 2 179.267 1.772 10 0 ADAELP C[C@H]1CCC[C@H]1c1[nH]c(C[NH3+])c[nH+]1 307586604 346130384 /nfs/dbraw/zinc/13/03/84/346130384.db2.gz QEAQARZYYONTEV-IONNQARKSA-N 2 2 179.267 1.772 10 0 ADAELP C[C@H]1CCC[C@@H]1c1[nH]c(C[NH3+])c[nH+]1 307586603 346130416 /nfs/dbraw/zinc/13/04/16/346130416.db2.gz QEAQARZYYONTEV-CBAPKCEASA-N 2 2 179.267 1.772 10 0 ADAELP C[C@@H]1CCC[C@@H]1c1[nH]c(C[NH3+])c[nH+]1 307586602 346130495 /nfs/dbraw/zinc/13/04/95/346130495.db2.gz QEAQARZYYONTEV-APPZFPTMSA-N 2 2 179.267 1.772 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[NH2+][C@@H]1C 307588245 346131378 /nfs/dbraw/zinc/13/13/78/346131378.db2.gz WQLRXIOQVGTOGB-RKDXNWHRSA-N 2 2 179.267 1.368 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[NH2+][C@H]1C 307588244 346131423 /nfs/dbraw/zinc/13/14/23/346131423.db2.gz WQLRXIOQVGTOGB-IUCAKERBSA-N 2 2 179.267 1.368 10 0 ADAELP CCn1cc[nH+]c1[C@@H]1CC[NH2+][C@H]1C 307588243 346131440 /nfs/dbraw/zinc/13/14/40/346131440.db2.gz WQLRXIOQVGTOGB-DTWKUNHWSA-N 2 2 179.267 1.368 10 0 ADAELP CCn1cc[nH+]c1[C@H]1CC[NH2+][C@@H]1C 307588242 346131651 /nfs/dbraw/zinc/13/16/51/346131651.db2.gz WQLRXIOQVGTOGB-BDAKNGLRSA-N 2 2 179.267 1.368 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 307590583 346133085 /nfs/dbraw/zinc/13/30/85/346133085.db2.gz BTTDVIZFEWENSP-IUCAKERBSA-N 2 2 193.294 1.655 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 307590583 346133088 /nfs/dbraw/zinc/13/30/88/346133088.db2.gz BTTDVIZFEWENSP-IUCAKERBSA-N 2 2 193.294 1.655 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 307590577 346133145 /nfs/dbraw/zinc/13/31/45/346133145.db2.gz BTTDVIZFEWENSP-DTWKUNHWSA-N 2 2 193.294 1.655 10 0 ADAELP CC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 307590577 346133147 /nfs/dbraw/zinc/13/31/47/346133147.db2.gz BTTDVIZFEWENSP-DTWKUNHWSA-N 2 2 193.294 1.655 10 0 ADAELP [NH3+]Cc1c[nH+]c(CC2CCCC2)[nH]1 307591565 346133618 /nfs/dbraw/zinc/13/36/18/346133618.db2.gz CNIBUJNZDWHGBD-UHFFFAOYSA-N 2 2 179.267 1.601 10 0 ADAELP C[C@H]1CC[N@H+](CC2([NH3+])CCC2)[C@H]1C 307592925 346134707 /nfs/dbraw/zinc/13/47/07/346134707.db2.gz GCSUFWUDVVMUOC-UWVGGRQHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[N@@H+](CC2([NH3+])CCC2)[C@H]1C 307592925 346134708 /nfs/dbraw/zinc/13/47/08/346134708.db2.gz GCSUFWUDVVMUOC-UWVGGRQHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1CC1([NH3+])CCC1 307592927 346134761 /nfs/dbraw/zinc/13/47/61/346134761.db2.gz GCSUFWUDVVMUOC-ZJUUUORDSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@H+](CC2([NH3+])CCC2)[C@@H]1C 307592924 346134769 /nfs/dbraw/zinc/13/47/69/346134769.db2.gz GCSUFWUDVVMUOC-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@@H+](CC2([NH3+])CCC2)[C@@H]1C 307592924 346134771 /nfs/dbraw/zinc/13/47/71/346134771.db2.gz GCSUFWUDVVMUOC-NXEZZACHSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[N@H+](CC2([NH3+])CCC2)[C@@H]1C 307592926 346134786 /nfs/dbraw/zinc/13/47/86/346134786.db2.gz GCSUFWUDVVMUOC-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1CC[N@@H+](CC2([NH3+])CCC2)[C@@H]1C 307592926 346134790 /nfs/dbraw/zinc/13/47/90/346134790.db2.gz GCSUFWUDVVMUOC-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP Cc1[nH+]cccc1C[C@H]1CCC[NH2+]C1 307597264 346137369 /nfs/dbraw/zinc/13/73/69/346137369.db2.gz NLVBDIJOHJKWHQ-LLVKDONJSA-N 2 2 190.290 1.932 10 0 ADAELP Cc1[nH+]cccc1C[C@@H]1CCC[NH2+]C1 307597265 346137620 /nfs/dbraw/zinc/13/76/20/346137620.db2.gz NLVBDIJOHJKWHQ-NSHDSACASA-N 2 2 190.290 1.932 10 0 ADAELP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2)cs1 307598255 346137919 /nfs/dbraw/zinc/13/79/19/346137919.db2.gz OQMRQOLPCLXCNF-JTQLQIEISA-N 2 2 196.319 1.508 10 0 ADAELP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2)cs1 307598256 346138009 /nfs/dbraw/zinc/13/80/09/346138009.db2.gz OQMRQOLPCLXCNF-SNVBAGLBSA-N 2 2 196.319 1.508 10 0 ADAELP [NH3+]C[C@H]1CC[C@@H]1[N@@H+]1CCC=C(F)C1 307601246 346139331 /nfs/dbraw/zinc/13/93/31/346139331.db2.gz UORURBCYYPSNJM-SCZZXKLOSA-N 2 2 184.258 1.283 10 0 ADAELP [NH3+]C[C@H]1CC[C@@H]1[N@H+]1CCC=C(F)C1 307601246 346139335 /nfs/dbraw/zinc/13/93/35/346139335.db2.gz UORURBCYYPSNJM-SCZZXKLOSA-N 2 2 184.258 1.283 10 0 ADAELP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1CCC=C(F)C1 307601248 346139486 /nfs/dbraw/zinc/13/94/86/346139486.db2.gz UORURBCYYPSNJM-WCBMZHEXSA-N 2 2 184.258 1.283 10 0 ADAELP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCC=C(F)C1 307601248 346139490 /nfs/dbraw/zinc/13/94/90/346139490.db2.gz UORURBCYYPSNJM-WCBMZHEXSA-N 2 2 184.258 1.283 10 0 ADAELP [NH3+]C[C@H]1CC[C@H]1[N@@H+]1CCC=C(F)C1 307601244 346139643 /nfs/dbraw/zinc/13/96/43/346139643.db2.gz UORURBCYYPSNJM-PSASIEDQSA-N 2 2 184.258 1.283 10 0 ADAELP [NH3+]C[C@H]1CC[C@H]1[N@H+]1CCC=C(F)C1 307601244 346139644 /nfs/dbraw/zinc/13/96/44/346139644.db2.gz UORURBCYYPSNJM-PSASIEDQSA-N 2 2 184.258 1.283 10 0 ADAELP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1CCC=C(F)C1 307601250 346139685 /nfs/dbraw/zinc/13/96/85/346139685.db2.gz UORURBCYYPSNJM-WPRPVWTQSA-N 2 2 184.258 1.283 10 0 ADAELP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCC=C(F)C1 307601250 346139686 /nfs/dbraw/zinc/13/96/86/346139686.db2.gz UORURBCYYPSNJM-WPRPVWTQSA-N 2 2 184.258 1.283 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1CC[C@@H](C)[C@H]1C 307602058 346140128 /nfs/dbraw/zinc/14/01/28/346140128.db2.gz VWTSKAIPERFUIC-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1CC[C@@H](C)[C@H]1C 307602058 346140130 /nfs/dbraw/zinc/14/01/30/346140130.db2.gz VWTSKAIPERFUIC-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1CC[C@@H](C)[C@@H]1C 307602059 346140148 /nfs/dbraw/zinc/14/01/48/346140148.db2.gz VWTSKAIPERFUIC-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1CC[C@@H](C)[C@@H]1C 307602059 346140151 /nfs/dbraw/zinc/14/01/51/346140151.db2.gz VWTSKAIPERFUIC-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1[C@@H]1C[NH2+]C[C@H]1C 307602056 346140201 /nfs/dbraw/zinc/14/02/01/346140201.db2.gz VWTSKAIPERFUIC-CHWFTXMASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1C[NH2+]C[C@H]1C 307602056 346140202 /nfs/dbraw/zinc/14/02/02/346140202.db2.gz VWTSKAIPERFUIC-CHWFTXMASA-N 2 2 182.311 1.325 10 0 ADAELP C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH2+]1 307603087 346141054 /nfs/dbraw/zinc/14/10/54/346141054.db2.gz YOCVJMBRTCOVGI-GARJFASQSA-N 2 2 180.295 1.365 10 0 ADAELP C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]1 307603087 346141058 /nfs/dbraw/zinc/14/10/58/346141058.db2.gz YOCVJMBRTCOVGI-GARJFASQSA-N 2 2 180.295 1.365 10 0 ADAELP C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH2+]1 307603088 346141243 /nfs/dbraw/zinc/14/12/43/346141243.db2.gz YOCVJMBRTCOVGI-MXWKQRLJSA-N 2 2 180.295 1.365 10 0 ADAELP C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]1 307603088 346141244 /nfs/dbraw/zinc/14/12/44/346141244.db2.gz YOCVJMBRTCOVGI-MXWKQRLJSA-N 2 2 180.295 1.365 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@@H]1[NH3+] 307604259 346141774 /nfs/dbraw/zinc/14/17/74/346141774.db2.gz VQQBEGDOXGPKBR-IUCAKERBSA-N 2 2 148.209 1.205 10 0 ADAELP Cc1c[nH+]ccc1[C@H]1C[C@H]1[NH3+] 307604260 346141805 /nfs/dbraw/zinc/14/18/05/346141805.db2.gz VQQBEGDOXGPKBR-RKDXNWHRSA-N 2 2 148.209 1.205 10 0 ADAELP Cc1c[nH+]ccc1[C@H]1C[C@@H]1[NH3+] 307604257 346141827 /nfs/dbraw/zinc/14/18/27/346141827.db2.gz VQQBEGDOXGPKBR-BDAKNGLRSA-N 2 2 148.209 1.205 10 0 ADAELP Cc1c[nH+]ccc1[C@@H]1C[C@H]1[NH3+] 307604258 346141886 /nfs/dbraw/zinc/14/18/86/346141886.db2.gz VQQBEGDOXGPKBR-DTWKUNHWSA-N 2 2 148.209 1.205 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@H]2C[C@@H]2C)n1C 307607843 346143865 /nfs/dbraw/zinc/14/38/65/346143865.db2.gz CSMAKECBBYQKSI-KADJCCMJSA-N 2 2 179.267 1.384 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@@H]2C[C@@H]2C)n1C 307607880 346144159 /nfs/dbraw/zinc/14/41/59/346144159.db2.gz CSMAKECBBYQKSI-SKWCMTHISA-N 2 2 179.267 1.384 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])[C@@H]2C[C@H]2C)n1C 307607837 346144184 /nfs/dbraw/zinc/14/41/84/346144184.db2.gz CSMAKECBBYQKSI-GTNGPMTGSA-N 2 2 179.267 1.384 10 0 ADAELP CC[C@@H]1[C@@H](C)CC[N@@H+]1[C@@H]1CC[NH2+]C1 307609080 346144378 /nfs/dbraw/zinc/14/43/78/346144378.db2.gz HMFYDBDPRYQLME-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1[C@@H](C)CC[N@H+]1[C@@H]1CC[NH2+]C1 307609080 346144381 /nfs/dbraw/zinc/14/43/81/346144381.db2.gz HMFYDBDPRYQLME-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1[C@@H](C)CC[N@@H+]1[C@H]1CC[NH2+]C1 307609078 346144416 /nfs/dbraw/zinc/14/44/16/346144416.db2.gz HMFYDBDPRYQLME-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1[C@@H](C)CC[N@H+]1[C@H]1CC[NH2+]C1 307609078 346144418 /nfs/dbraw/zinc/14/44/18/346144418.db2.gz HMFYDBDPRYQLME-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1[C@H](C)CC[N@H+]1[C@@H]1CC[NH2+]C1 307609079 346144500 /nfs/dbraw/zinc/14/45/00/346144500.db2.gz HMFYDBDPRYQLME-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[NH2+]C1 307609079 346144498 /nfs/dbraw/zinc/14/44/98/346144498.db2.gz HMFYDBDPRYQLME-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1[C@H](C)CC[N@@H+]1[C@H]1CC[NH2+]C1 307609082 346144535 /nfs/dbraw/zinc/14/45/35/346144535.db2.gz HMFYDBDPRYQLME-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP CC[C@@H]1[C@H](C)CC[N@H+]1[C@H]1CC[NH2+]C1 307609082 346144536 /nfs/dbraw/zinc/14/45/36/346144536.db2.gz HMFYDBDPRYQLME-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 307609887 346145096 /nfs/dbraw/zinc/14/50/96/346145096.db2.gz GZVUIKABSTVPKF-SSRBZLIGSA-N 2 2 184.327 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 307609887 346145098 /nfs/dbraw/zinc/14/50/98/346145098.db2.gz GZVUIKABSTVPKF-SSRBZLIGSA-N 2 2 184.327 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C 307609884 346145153 /nfs/dbraw/zinc/14/51/53/346145153.db2.gz GZVUIKABSTVPKF-HWUMTFDVSA-N 2 2 184.327 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 307609884 346145155 /nfs/dbraw/zinc/14/51/55/346145155.db2.gz GZVUIKABSTVPKF-HWUMTFDVSA-N 2 2 184.327 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C 307609886 346145195 /nfs/dbraw/zinc/14/51/95/346145195.db2.gz GZVUIKABSTVPKF-QHZLYTNSSA-N 2 2 184.327 1.698 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 307609886 346145197 /nfs/dbraw/zinc/14/51/97/346145197.db2.gz GZVUIKABSTVPKF-QHZLYTNSSA-N 2 2 184.327 1.698 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)[C@@H]1C 307612084 346146455 /nfs/dbraw/zinc/14/64/55/346146455.db2.gz KBOLUJYNCAVYFL-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)[C@@H]1C 307612084 346146456 /nfs/dbraw/zinc/14/64/56/346146456.db2.gz KBOLUJYNCAVYFL-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C[C@H]1C 307612083 346146471 /nfs/dbraw/zinc/14/64/71/346146471.db2.gz KBOLUJYNCAVYFL-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C[C@H]1C 307612083 346146474 /nfs/dbraw/zinc/14/64/74/346146474.db2.gz KBOLUJYNCAVYFL-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)[C@@H]1C 307612081 346146528 /nfs/dbraw/zinc/14/65/28/346146528.db2.gz KBOLUJYNCAVYFL-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)[C@@H]1C 307612081 346146530 /nfs/dbraw/zinc/14/65/30/346146530.db2.gz KBOLUJYNCAVYFL-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C[C@H]1C 307612082 346146604 /nfs/dbraw/zinc/14/66/04/346146604.db2.gz KBOLUJYNCAVYFL-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C[C@H]1C 307612082 346146605 /nfs/dbraw/zinc/14/66/05/346146605.db2.gz KBOLUJYNCAVYFL-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP Cn1c[nH+]c([C@@H]2CC[C@H]([NH3+])C2)c1 307615421 346148568 /nfs/dbraw/zinc/14/85/68/346148568.db2.gz MKFYCAFJAFQMAK-SFYZADRCSA-N 2 2 165.240 1.015 10 0 ADAELP Cn1c[nH+]c([C@H]2CC[C@H]([NH3+])C2)c1 307615422 346148591 /nfs/dbraw/zinc/14/85/91/346148591.db2.gz MKFYCAFJAFQMAK-YUMQZZPRSA-N 2 2 165.240 1.015 10 0 ADAELP Cn1c[nH+]c([C@H]2CC[C@@H]([NH3+])C2)c1 307615420 346148724 /nfs/dbraw/zinc/14/87/24/346148724.db2.gz MKFYCAFJAFQMAK-JGVFFNPUSA-N 2 2 165.240 1.015 10 0 ADAELP NC(=[NH2+])C[N@@H+]1CCC2(CCCC2)C1 307616180 346149729 /nfs/dbraw/zinc/14/97/29/346149729.db2.gz NKTGDFKMMJMJPK-UHFFFAOYSA-N 2 2 181.283 1.188 10 0 ADAELP NC(=[NH2+])C[N@H+]1CCC2(CCCC2)C1 307616180 346149730 /nfs/dbraw/zinc/14/97/30/346149730.db2.gz NKTGDFKMMJMJPK-UHFFFAOYSA-N 2 2 181.283 1.188 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CC[C@H](C(F)(F)F)C1 307620154 346151735 /nfs/dbraw/zinc/15/17/35/346151735.db2.gz AQDRJTFYBOXIRC-RQJHMYQMSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CC[C@H](C(F)(F)F)C1 307620154 346151737 /nfs/dbraw/zinc/15/17/37/346151737.db2.gz AQDRJTFYBOXIRC-RQJHMYQMSA-N 2 2 196.216 1.218 10 0 ADAELP CC1(C)C[NH+](C[C@@]2(C)CCCC[NH2+]2)C1 307619700 346151746 /nfs/dbraw/zinc/15/17/46/346151746.db2.gz YXUGGWJYTAASKM-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)C[NH+](C[C@]2(C)CCCC[NH2+]2)C1 307619701 346151757 /nfs/dbraw/zinc/15/17/57/346151757.db2.gz YXUGGWJYTAASKM-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CC[C@@H](C(F)(F)F)C1 307620150 346151851 /nfs/dbraw/zinc/15/18/51/346151851.db2.gz AQDRJTFYBOXIRC-RNFRBKRXSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CC[C@@H](C(F)(F)F)C1 307620150 346151854 /nfs/dbraw/zinc/15/18/54/346151854.db2.gz AQDRJTFYBOXIRC-RNFRBKRXSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H](C[NH3+])[N@@H+]1CC[C@H](C(F)(F)F)C1 307620142 346151868 /nfs/dbraw/zinc/15/18/68/346151868.db2.gz AQDRJTFYBOXIRC-BQBZGAKWSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H](C[NH3+])[N@H+]1CC[C@H](C(F)(F)F)C1 307620142 346151872 /nfs/dbraw/zinc/15/18/72/346151872.db2.gz AQDRJTFYBOXIRC-BQBZGAKWSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H](C[NH3+])[N@@H+]1CC[C@@H](C(F)(F)F)C1 307620146 346151947 /nfs/dbraw/zinc/15/19/47/346151947.db2.gz AQDRJTFYBOXIRC-NKWVEPMBSA-N 2 2 196.216 1.218 10 0 ADAELP C[C@@H](C[NH3+])[N@H+]1CC[C@@H](C(F)(F)F)C1 307620146 346151950 /nfs/dbraw/zinc/15/19/50/346151950.db2.gz AQDRJTFYBOXIRC-NKWVEPMBSA-N 2 2 196.216 1.218 10 0 ADAELP NC(=[NH2+])C[NH+]1CCCCCCCC1 307623441 346153508 /nfs/dbraw/zinc/15/35/08/346153508.db2.gz DQXAAQKDJTXYDK-UHFFFAOYSA-N 2 2 183.299 1.579 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCSC[C@@H]1C 307632519 346159126 /nfs/dbraw/zinc/15/91/26/346159126.db2.gz QANNNAZPMVRFPK-XHNCKOQMSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCSC[C@@H]1C 307632519 346159129 /nfs/dbraw/zinc/15/91/29/346159129.db2.gz QANNNAZPMVRFPK-XHNCKOQMSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCSC[C@@H]1C 307632516 346159282 /nfs/dbraw/zinc/15/92/82/346159282.db2.gz QANNNAZPMVRFPK-CIUDSAMLSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCSC[C@@H]1C 307632516 346159283 /nfs/dbraw/zinc/15/92/83/346159283.db2.gz QANNNAZPMVRFPK-CIUDSAMLSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCSC[C@H]1C 307632517 346159354 /nfs/dbraw/zinc/15/93/54/346159354.db2.gz QANNNAZPMVRFPK-HRDYMLBCSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCSC[C@H]1C 307632517 346159357 /nfs/dbraw/zinc/15/93/57/346159357.db2.gz QANNNAZPMVRFPK-HRDYMLBCSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCSC[C@H]1C 307632518 346159514 /nfs/dbraw/zinc/15/95/14/346159514.db2.gz QANNNAZPMVRFPK-VGMNWLOBSA-N 2 2 188.340 1.159 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCSC[C@H]1C 307632518 346159517 /nfs/dbraw/zinc/15/95/17/346159517.db2.gz QANNNAZPMVRFPK-VGMNWLOBSA-N 2 2 188.340 1.159 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1c1cn(C)c[nH+]1 307646677 346165726 /nfs/dbraw/zinc/16/57/26/346165726.db2.gz CIIIQRQJLSVFRY-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP CC[C@H]1[NH2+]CC[C@H]1c1cn(C)c[nH+]1 307646678 346165735 /nfs/dbraw/zinc/16/57/35/346165735.db2.gz CIIIQRQJLSVFRY-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]1c1cn(C)c[nH+]1 307646675 346165791 /nfs/dbraw/zinc/16/57/91/346165791.db2.gz CIIIQRQJLSVFRY-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP CC[C@H]1[NH2+]CC[C@@H]1c1cn(C)c[nH+]1 307646676 346165883 /nfs/dbraw/zinc/16/58/83/346165883.db2.gz CIIIQRQJLSVFRY-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP CC(C)C1C[NH+]([C@H]2C[NH2+][C@H](C)C2)C1 307663498 346171182 /nfs/dbraw/zinc/17/11/82/346171182.db2.gz IVQRLQGUIHVFIO-MWLCHTKSSA-N 2 2 182.311 1.325 10 0 ADAELP CC(C)C1C[NH+]([C@@H]2C[NH2+][C@@H](C)C2)C1 307663499 346171318 /nfs/dbraw/zinc/17/13/18/346171318.db2.gz IVQRLQGUIHVFIO-ONGXEEELSA-N 2 2 182.311 1.325 10 0 ADAELP CC(C)C1C[NH+]([C@@H]2C[NH2+][C@H](C)C2)C1 307663497 346171348 /nfs/dbraw/zinc/17/13/48/346171348.db2.gz IVQRLQGUIHVFIO-KOLCDFICSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCC[NH2+]2)S1 307668611 346173225 /nfs/dbraw/zinc/17/32/25/346173225.db2.gz QMKOFUNLNIZPAW-IWSPIJDZSA-N 2 2 186.324 1.180 10 0 ADAELP C[C@@H]1C[NH2+][C@](C)([C@H]2CCC[NH2+]2)S1 307668609 346173232 /nfs/dbraw/zinc/17/32/32/346173232.db2.gz QMKOFUNLNIZPAW-HLTSFMKQSA-N 2 2 186.324 1.180 10 0 ADAELP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCC[NH2+]2)S1 307668610 346173429 /nfs/dbraw/zinc/17/34/29/346173429.db2.gz QMKOFUNLNIZPAW-HRDYMLBCSA-N 2 2 186.324 1.180 10 0 ADAELP C[C@@H]1C[NH2+][C@](C)([C@@H]2CCC[NH2+]2)S1 307668612 346173948 /nfs/dbraw/zinc/17/39/48/346173948.db2.gz QMKOFUNLNIZPAW-VGMNWLOBSA-N 2 2 186.324 1.180 10 0 ADAELP Cc1[nH+]cc([C@@H]([NH3+])C2(C)CC2)n1C 307682639 346180818 /nfs/dbraw/zinc/18/08/18/346180818.db2.gz RXCZJKDAZZMBBL-SECBINFHSA-N 2 2 179.267 1.528 10 0 ADAELP CC[C@](C)([C@@H](C)[NH3+])[N@@H+]1CC[C@@H](C)C1 307694362 346188106 /nfs/dbraw/zinc/18/81/06/346188106.db2.gz WFGXPYYNUOSWCV-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CC[C@@H](C)C1 307694362 346188107 /nfs/dbraw/zinc/18/81/07/346188107.db2.gz WFGXPYYNUOSWCV-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@@H](C)[NH3+])[N@@H+]1CC[C@H](C)C1 307694363 346188161 /nfs/dbraw/zinc/18/81/61/346188161.db2.gz WFGXPYYNUOSWCV-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CC[C@H](C)C1 307694363 346188163 /nfs/dbraw/zinc/18/81/63/346188163.db2.gz WFGXPYYNUOSWCV-HBNTYKKESA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[N@@H+]1CC[C@H](C)C1 307694361 346188219 /nfs/dbraw/zinc/18/82/19/346188219.db2.gz WFGXPYYNUOSWCV-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CC[C@H](C)C1 307694361 346188222 /nfs/dbraw/zinc/18/82/22/346188222.db2.gz WFGXPYYNUOSWCV-GARJFASQSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[N@@H+]1CC[C@@H](C)C1 307694364 346188289 /nfs/dbraw/zinc/18/82/89/346188289.db2.gz WFGXPYYNUOSWCV-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CC[C@@H](C)C1 307694364 346188291 /nfs/dbraw/zinc/18/82/91/346188291.db2.gz WFGXPYYNUOSWCV-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1[NH2+][C@H](C)C[C@@H]1c1[nH+]ccn1C 307700221 346191724 /nfs/dbraw/zinc/19/17/24/346191724.db2.gz QATCJORLUDWNEZ-VGMNWLOBSA-N 2 2 179.267 1.274 10 0 ADAELP C[C@@H]1C[C@@H](c2[nH+]ccn2C)[C@@H](C)[NH2+]1 307700220 346191744 /nfs/dbraw/zinc/19/17/44/346191744.db2.gz QATCJORLUDWNEZ-IWSPIJDZSA-N 2 2 179.267 1.274 10 0 ADAELP C[C@@H]1[NH2+][C@H](C)C[C@H]1c1[nH+]ccn1C 307700219 346191938 /nfs/dbraw/zinc/19/19/38/346191938.db2.gz QATCJORLUDWNEZ-HRDYMLBCSA-N 2 2 179.267 1.274 10 0 ADAELP Cc1[nH+]cc([C@@H](F)C(C)(C)[NH3+])n1C 307701441 346192496 /nfs/dbraw/zinc/19/24/96/346192496.db2.gz RTWODLXECYWVLO-MRVPVSSYSA-N 2 2 185.246 1.476 10 0 ADAELP Cc1[nH+]cc([C@H](F)C(C)(C)[NH3+])n1C 307701442 346192541 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/nfs/dbraw/zinc/31/43/75/346314375.db2.gz AFEQCKZWDJIHDW-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCC1 308598516 346314405 /nfs/dbraw/zinc/31/44/05/346314405.db2.gz AFEQCKZWDJIHDW-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCC1 308598516 346314407 /nfs/dbraw/zinc/31/44/07/346314407.db2.gz AFEQCKZWDJIHDW-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 308625123 346315417 /nfs/dbraw/zinc/31/54/17/346315417.db2.gz VPATYMKTYFZWHL-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 308625123 346315419 /nfs/dbraw/zinc/31/54/19/346315419.db2.gz VPATYMKTYFZWHL-WOPDTQHZSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 308625120 346315437 /nfs/dbraw/zinc/31/54/37/346315437.db2.gz VPATYMKTYFZWHL-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 308625120 346315439 /nfs/dbraw/zinc/31/54/39/346315439.db2.gz VPATYMKTYFZWHL-GRYCIOLGSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccc(Cn2cc[nH+]c2)c(C)[nH+]1 334493393 346350016 /nfs/dbraw/zinc/35/00/16/346350016.db2.gz MOESTMOAALZGCV-UHFFFAOYSA-N 2 2 187.246 1.943 10 0 ADAELP CCC1([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 334671089 346359579 /nfs/dbraw/zinc/35/95/79/346359579.db2.gz NCQSRUADWVETRR-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 334671089 346359582 /nfs/dbraw/zinc/35/95/82/346359582.db2.gz NCQSRUADWVETRR-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 334671090 346359857 /nfs/dbraw/zinc/35/98/57/346359857.db2.gz NCQSRUADWVETRR-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 334671090 346359858 /nfs/dbraw/zinc/35/98/58/346359858.db2.gz NCQSRUADWVETRR-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 334671088 346359900 /nfs/dbraw/zinc/35/99/00/346359900.db2.gz NCQSRUADWVETRR-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 334671088 346359905 /nfs/dbraw/zinc/35/99/05/346359905.db2.gz NCQSRUADWVETRR-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 334671091 346359963 /nfs/dbraw/zinc/35/99/63/346359963.db2.gz NCQSRUADWVETRR-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 334671091 346359965 /nfs/dbraw/zinc/35/99/65/346359965.db2.gz NCQSRUADWVETRR-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP CCC[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 334998986 346373541 /nfs/dbraw/zinc/37/35/41/346373541.db2.gz YKZKXLYVTDWSLL-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP CCC[N@@H+]1CC[NH2+]C[C@](C)(F)C1 334998987 346373494 /nfs/dbraw/zinc/37/34/94/346373494.db2.gz YKZKXLYVTDWSLL-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP CCC[N@H+]1CC[NH2+]C[C@](C)(F)C1 334998987 346373496 /nfs/dbraw/zinc/37/34/96/346373496.db2.gz YKZKXLYVTDWSLL-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP CC(C)[N@@H+]1CC[NH2+]C[C@](C)(F)C1 334998197 346373520 /nfs/dbraw/zinc/37/35/20/346373520.db2.gz MBOGFYMTQGSPOM-VIFPVBQESA-N 2 2 174.263 1.028 10 0 ADAELP CC(C)[N@H+]1CC[NH2+]C[C@](C)(F)C1 334998197 346373522 /nfs/dbraw/zinc/37/35/22/346373522.db2.gz MBOGFYMTQGSPOM-VIFPVBQESA-N 2 2 174.263 1.028 10 0 ADAELP CCC[N@H+]1CC[NH2+]C[C@@](C)(F)C1 334998986 346373544 /nfs/dbraw/zinc/37/35/44/346373544.db2.gz YKZKXLYVTDWSLL-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP CC(C)[N@H+]1CC[NH2+]C[C@@](C)(F)C1 334998196 346373721 /nfs/dbraw/zinc/37/37/21/346373721.db2.gz MBOGFYMTQGSPOM-SECBINFHSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+]1CC[NH+]2CCC1CC2 335997832 346432618 /nfs/dbraw/zinc/43/26/18/346432618.db2.gz PGTLENHGZMSJFI-WDEREUQCSA-N 2 2 194.322 1.422 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+]1CC[NH+]2CCC1CC2 335997832 346432620 /nfs/dbraw/zinc/43/26/20/346432620.db2.gz PGTLENHGZMSJFI-WDEREUQCSA-N 2 2 194.322 1.422 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+]1CC[NH+]2CCC1CC2 335997831 346432715 /nfs/dbraw/zinc/43/27/15/346432715.db2.gz PGTLENHGZMSJFI-QWRGUYRKSA-N 2 2 194.322 1.422 10 0 ADAELP C[C@H]1C[C@H]1C[N@H+]1CC[NH+]2CCC1CC2 335997831 346432721 /nfs/dbraw/zinc/43/27/21/346432721.db2.gz PGTLENHGZMSJFI-QWRGUYRKSA-N 2 2 194.322 1.422 10 0 ADAELP CC[C@H](C)C[N@@H+]1CC[NH+]2CCC1CC2 335997313 346432916 /nfs/dbraw/zinc/43/29/16/346432916.db2.gz BCGRUENRXSRXCE-NSHDSACASA-N 2 2 196.338 1.813 10 0 ADAELP CC[C@H](C)C[N@H+]1CC[NH+]2CCC1CC2 335997313 346432918 /nfs/dbraw/zinc/43/29/18/346432918.db2.gz BCGRUENRXSRXCE-NSHDSACASA-N 2 2 196.338 1.813 10 0 ADAELP CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 336038733 346434907 /nfs/dbraw/zinc/43/49/07/346434907.db2.gz URVLDOQWPFCQNT-UHFFFAOYSA-N 2 2 193.294 1.999 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](F)C1 336262593 346448833 /nfs/dbraw/zinc/44/88/33/346448833.db2.gz DMCUDVFCUVZGIZ-SNVBAGLBSA-N 2 2 197.257 1.235 10 0 ADAELP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](F)C1 336262593 346448838 /nfs/dbraw/zinc/44/88/38/346448838.db2.gz DMCUDVFCUVZGIZ-SNVBAGLBSA-N 2 2 197.257 1.235 10 0 ADAELP CC(C)n1cc[nH+]c1Cn1cc[nH+]c1 336355457 346457766 /nfs/dbraw/zinc/45/77/66/346457766.db2.gz VVZSHUJJTDKAHK-UHFFFAOYSA-N 2 2 190.250 1.709 10 0 ADAELP Cc1[nH+]ccn1CC[N@@H+]1[C@@H](C)C[C@H]1C 336458802 346464332 /nfs/dbraw/zinc/46/43/32/346464332.db2.gz JIIJDXSWWNHRKD-AOOOYVTPSA-N 2 2 193.294 1.674 10 0 ADAELP CC1=CC[N@H+](CCn2cc[nH+]c2)CC1 336467264 346464514 /nfs/dbraw/zinc/46/45/14/346464514.db2.gz APIAMUOLDABIOU-UHFFFAOYSA-N 2 2 191.278 1.535 10 0 ADAELP C[N@@H+]1CCC[C@H]1CCn1cc[nH+]c1 336481272 346465991 /nfs/dbraw/zinc/46/59/91/346465991.db2.gz HOVPVPRMNIYDJM-JTQLQIEISA-N 2 2 179.267 1.367 10 0 ADAELP C[N@H+]1CCC[C@H]1CCn1cc[nH+]c1 336481272 346465993 /nfs/dbraw/zinc/46/59/93/346465993.db2.gz HOVPVPRMNIYDJM-JTQLQIEISA-N 2 2 179.267 1.367 10 0 ADAELP C[N@@H+]1CCC[C@@H]1CCn1cc[nH+]c1 336481273 346466054 /nfs/dbraw/zinc/46/60/54/346466054.db2.gz HOVPVPRMNIYDJM-SNVBAGLBSA-N 2 2 179.267 1.367 10 0 ADAELP C[N@H+]1CCC[C@@H]1CCn1cc[nH+]c1 336481273 346466057 /nfs/dbraw/zinc/46/60/57/346466057.db2.gz HOVPVPRMNIYDJM-SNVBAGLBSA-N 2 2 179.267 1.367 10 0 ADAELP CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 336523819 346469924 /nfs/dbraw/zinc/46/99/24/346469924.db2.gz XMYFIFLTIKKRKV-UHFFFAOYSA-N 2 2 193.294 1.999 10 0 ADAELP CC1(C)CCC[N@@H+]1CCn1cc[nH+]c1 336555220 346474005 /nfs/dbraw/zinc/47/40/05/346474005.db2.gz DLGQXGLLBJEJPZ-UHFFFAOYSA-N 2 2 193.294 1.758 10 0 ADAELP CC1(C)CCC[N@H+]1CCn1cc[nH+]c1 336555220 346474008 /nfs/dbraw/zinc/47/40/08/346474008.db2.gz DLGQXGLLBJEJPZ-UHFFFAOYSA-N 2 2 193.294 1.758 10 0 ADAELP C/C(=C/c1c[nH+]cn1C)[C@H](C)[NH3+] 379315351 346493782 /nfs/dbraw/zinc/49/37/82/346493782.db2.gz AVIVXYZWIYLPCO-NZGHECTNSA-N 2 2 165.240 1.171 10 0 ADAELP C/C(=C/c1c[nH+]cn1C)[C@@H](C)[NH3+] 379315352 346493808 /nfs/dbraw/zinc/49/38/08/346493808.db2.gz AVIVXYZWIYLPCO-RBMBQVQZSA-N 2 2 165.240 1.171 10 0 ADAELP C/C(=C/Cl)C[N@H+]1CC[C@H]([NH3+])[C@H]1C 379320438 346495692 /nfs/dbraw/zinc/49/56/92/346495692.db2.gz WOMFDJXKLODHBA-ZONUIFDKSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C/Cl)C[N@@H+]1CC[C@H]([NH3+])[C@H]1C 379320438 346495695 /nfs/dbraw/zinc/49/56/95/346495695.db2.gz WOMFDJXKLODHBA-ZONUIFDKSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C/Cl)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 379320437 346495889 /nfs/dbraw/zinc/49/58/89/346495889.db2.gz WOMFDJXKLODHBA-SISDLMPYSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C/Cl)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 379320437 346495892 /nfs/dbraw/zinc/49/58/92/346495892.db2.gz WOMFDJXKLODHBA-SISDLMPYSA-N 2 2 188.702 1.551 10 0 ADAELP Cn1c[nH+]cc1CSCC[NH+](C)C 379378389 346510131 /nfs/dbraw/zinc/51/01/31/346510131.db2.gz AHHHGLGAICNQSY-UHFFFAOYSA-N 2 2 199.323 1.215 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C 379388681 346513442 /nfs/dbraw/zinc/51/34/42/346513442.db2.gz JVXVPBFMCVABBD-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C 379388681 346513445 /nfs/dbraw/zinc/51/34/45/346513445.db2.gz JVXVPBFMCVABBD-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C 379388683 346513464 /nfs/dbraw/zinc/51/34/64/346513464.db2.gz JVXVPBFMCVABBD-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C 379388683 346513465 /nfs/dbraw/zinc/51/34/65/346513465.db2.gz JVXVPBFMCVABBD-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]CC1(F)CC1 379402718 346518056 /nfs/dbraw/zinc/51/80/56/346518056.db2.gz NOXROSHVRASYCE-VIFPVBQESA-N 2 2 186.274 1.172 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]CC1(F)CC1 379402718 346518058 /nfs/dbraw/zinc/51/80/58/346518058.db2.gz NOXROSHVRASYCE-VIFPVBQESA-N 2 2 186.274 1.172 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(F)CC1 379402717 346518409 /nfs/dbraw/zinc/51/84/09/346518409.db2.gz NOXROSHVRASYCE-SECBINFHSA-N 2 2 186.274 1.172 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(F)CC1 379402717 346518413 /nfs/dbraw/zinc/51/84/13/346518413.db2.gz NOXROSHVRASYCE-SECBINFHSA-N 2 2 186.274 1.172 10 0 ADAELP C/C(=C/Cl)C[NH+]1CC(C[NH3+])C1 382165050 346533244 /nfs/dbraw/zinc/53/32/44/346533244.db2.gz IMBRAPCDSLYAKE-UQCOIBPSSA-N 2 2 174.675 1.020 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 385024567 346541516 /nfs/dbraw/zinc/54/15/16/346541516.db2.gz OXAKXRVSEHGHFC-ANDSXOESSA-N 2 2 194.322 1.777 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 385024568 346541430 /nfs/dbraw/zinc/54/14/30/346541430.db2.gz OXAKXRVSEHGHFC-CBZSPVTBSA-N 2 2 194.322 1.777 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 385024568 346541432 /nfs/dbraw/zinc/54/14/32/346541432.db2.gz OXAKXRVSEHGHFC-CBZSPVTBSA-N 2 2 194.322 1.777 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 385024567 346541518 /nfs/dbraw/zinc/54/15/18/346541518.db2.gz OXAKXRVSEHGHFC-ANDSXOESSA-N 2 2 194.322 1.777 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 385024570 346541778 /nfs/dbraw/zinc/54/17/78/346541778.db2.gz OXAKXRVSEHGHFC-MJKAUQOVSA-N 2 2 194.322 1.777 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 385024570 346541780 /nfs/dbraw/zinc/54/17/80/346541780.db2.gz OXAKXRVSEHGHFC-MJKAUQOVSA-N 2 2 194.322 1.777 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 385024571 346542699 /nfs/dbraw/zinc/54/26/99/346542699.db2.gz OXAKXRVSEHGHFC-YIZUVKHSSA-N 2 2 194.322 1.777 10 0 ADAELP CCn1cc[nH+]c1/C=C(\C)C[NH3+] 385324360 346543888 /nfs/dbraw/zinc/54/38/88/346543888.db2.gz ORUNGFUBFZHNFF-SOFGYWHQSA-N 2 2 165.240 1.265 10 0 ADAELP CC(C)/C(=C\c1[nH+]ccn1C)C[NH3+] 385308773 346543909 /nfs/dbraw/zinc/54/39/09/346543909.db2.gz LHSQHCVQOSFNBY-TWGQIWQCSA-N 2 2 179.267 1.418 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(C)CCC1 389219856 346570688 /nfs/dbraw/zinc/57/06/88/346570688.db2.gz MTSQILSJBBXHGB-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(C)CCC1 389219856 346570691 /nfs/dbraw/zinc/57/06/91/346570691.db2.gz MTSQILSJBBXHGB-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]CC1(C)CCC1 389219857 346570865 /nfs/dbraw/zinc/57/08/65/346570865.db2.gz MTSQILSJBBXHGB-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]CC1(C)CCC1 389219857 346570866 /nfs/dbraw/zinc/57/08/66/346570866.db2.gz MTSQILSJBBXHGB-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C/C=C\C[NH+]1CC2=C(C[NH+](C)C2)C1 393718321 346582425 /nfs/dbraw/zinc/58/24/25/346582425.db2.gz UUSJPUMVGFFRFZ-ARJAWSKDSA-N 2 2 178.279 1.120 10 0 ADAELP Cc1ncc(C[NH2+]CCC[NH+](C)C)o1 397897903 346593743 /nfs/dbraw/zinc/59/37/43/346593743.db2.gz JMAXVZNZRPCUEZ-UHFFFAOYSA-N 2 2 197.282 1.024 10 0 ADAELP C[Si](C)(C)C[N@@H+]1CCC[NH2+]CC1 401694650 346615570 /nfs/dbraw/zinc/61/55/70/346615570.db2.gz UCCREKLDCDSNKO-UHFFFAOYSA-N 2 2 186.375 1.159 10 0 ADAELP C[Si](C)(C)C[N@H+]1CCC[NH2+]CC1 401694650 346615571 /nfs/dbraw/zinc/61/55/71/346615571.db2.gz UCCREKLDCDSNKO-UHFFFAOYSA-N 2 2 186.375 1.159 10 0 ADAELP C[C@@H]1C[NH2+]C[C@]2(C1)[NH2+]C[C@@H](C)S2 401712065 346615588 /nfs/dbraw/zinc/61/55/88/346615588.db2.gz WCNCLVOSMLQDJK-DJLDLDEBSA-N 2 2 186.324 1.037 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@]2(C1)[NH2+]C[C@H](C)S2 401712063 346615647 /nfs/dbraw/zinc/61/56/47/346615647.db2.gz WCNCLVOSMLQDJK-CIUDSAMLSA-N 2 2 186.324 1.037 10 0 ADAELP C[Si](C)(C)C[N@@H+]1CCC[C@H]([NH3+])C1 401697988 346615847 /nfs/dbraw/zinc/61/58/47/346615847.db2.gz WWUANMOVXIFTLH-VIFPVBQESA-N 2 2 186.375 1.287 10 0 ADAELP C[Si](C)(C)C[N@H+]1CCC[C@H]([NH3+])C1 401697988 346615850 /nfs/dbraw/zinc/61/58/50/346615850.db2.gz WWUANMOVXIFTLH-VIFPVBQESA-N 2 2 186.375 1.287 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@]2(C1)[NH2+]C[C@@H](C)S2 401712069 346615869 /nfs/dbraw/zinc/61/58/69/346615869.db2.gz WCNCLVOSMLQDJK-YIZRAAEISA-N 2 2 186.324 1.037 10 0 ADAELP C[C@@H]1C[NH2+]C[C@]2(C1)[NH2+]C[C@H](C)S2 401712067 346615889 /nfs/dbraw/zinc/61/58/89/346615889.db2.gz WCNCLVOSMLQDJK-XHNCKOQMSA-N 2 2 186.324 1.037 10 0 ADAELP C[Si](C)(C)C[N@@H+]1CCC[C@@H]([NH3+])C1 401697987 346615965 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OVUKJAYOSAUPOL-SNVBAGLBSA-N 2 2 196.319 1.671 10 0 ADAELP C[C@@]1([NH3+])CC[N@@H+](Cc2ccsc2)C1 405857965 346676607 /nfs/dbraw/zinc/67/66/07/346676607.db2.gz OVUKJAYOSAUPOL-SNVBAGLBSA-N 2 2 196.319 1.671 10 0 ADAELP C[C@@]1([NH3+])CC[N@H+](Cc2cccs2)C1 405850502 346676692 /nfs/dbraw/zinc/67/66/92/346676692.db2.gz MAWSVRQFWCVWPM-SNVBAGLBSA-N 2 2 196.319 1.671 10 0 ADAELP C[C@@]1([NH3+])CC[N@@H+](Cc2cccs2)C1 405850502 346676695 /nfs/dbraw/zinc/67/66/95/346676695.db2.gz MAWSVRQFWCVWPM-SNVBAGLBSA-N 2 2 196.319 1.671 10 0 ADAELP CC1(CF)CC[NH+](CC[NH3+])CC1 409426771 346685081 /nfs/dbraw/zinc/68/50/81/346685081.db2.gz CYBTYPYILWRFEZ-UHFFFAOYSA-N 2 2 174.263 1.017 10 0 ADAELP C1C[NH2+]C[C@H]([NH+](C2CC2)C2CC2)C1 409428591 346688089 /nfs/dbraw/zinc/68/80/89/346688089.db2.gz AJYXWIIHOPPNQU-LLVKDONJSA-N 2 2 180.295 1.365 10 0 ADAELP C1C[NH2+]C[C@@H]([NH+](C2CC2)C2CC2)C1 409428610 346688234 /nfs/dbraw/zinc/68/82/34/346688234.db2.gz AJYXWIIHOPPNQU-NSHDSACASA-N 2 2 180.295 1.365 10 0 ADAELP CC(F)(F)[C@H]1CCC[N@H+](CC[NH3+])C1 409431443 346691909 /nfs/dbraw/zinc/69/19/09/346691909.db2.gz SJDHQAGNVGDISJ-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP CC(F)(F)[C@H]1CCC[N@@H+](CC[NH3+])C1 409431443 346691912 /nfs/dbraw/zinc/69/19/12/346691912.db2.gz SJDHQAGNVGDISJ-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP CC(F)(F)[C@@H]1CCC[N@H+](CC[NH3+])C1 409431442 346691924 /nfs/dbraw/zinc/69/19/24/346691924.db2.gz SJDHQAGNVGDISJ-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP CC(F)(F)[C@@H]1CCC[N@@H+](CC[NH3+])C1 409431442 346691927 /nfs/dbraw/zinc/69/19/27/346691927.db2.gz SJDHQAGNVGDISJ-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP [NH3+]Cc1cccn2c3c([nH+]c12)CCC3 409438195 346701846 /nfs/dbraw/zinc/70/18/46/346701846.db2.gz CKOQBRZCCPQSIF-UHFFFAOYSA-N 2 2 187.246 1.282 10 0 ADAELP C1C[C@H]([NH2+]C2CC2)[C@H]([NH2+]C2CC2)C1 409442687 346708113 /nfs/dbraw/zinc/70/81/13/346708113.db2.gz ZFEYIIUFPOQNRU-PHIMTYICSA-N 2 2 180.295 1.412 10 0 ADAELP C[NH2+]P([NH2+]C)c1ccccc1 584601863 346721009 /nfs/dbraw/zinc/72/10/09/346721009.db2.gz CPXJVSGWDPKXKD-UHFFFAOYSA-N 2 2 168.180 1.063 10 0 ADAELP Cc1cc(C[NH3+])cn2cc[nH+]c12 584642577 346739368 /nfs/dbraw/zinc/73/93/68/346739368.db2.gz FZZHJKWEROCREU-UHFFFAOYSA-N 2 2 161.208 1.101 10 0 ADAELP F[C@]1(COc2cc[nH+]cc2)CC[NH2+]C1 584648897 346741770 /nfs/dbraw/zinc/74/17/70/346741770.db2.gz XAVGUVZQFOSEKU-SNVBAGLBSA-N 2 2 196.225 1.162 10 0 ADAELP F[C@@]1(COc2cc[nH+]cc2)CC[NH2+]C1 584648896 346741838 /nfs/dbraw/zinc/74/18/38/346741838.db2.gz XAVGUVZQFOSEKU-JTQLQIEISA-N 2 2 196.225 1.162 10 0 ADAELP CC1=[NH+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@@H]23 584659029 346745950 /nfs/dbraw/zinc/74/59/50/346745950.db2.gz IDKUMQUBXBQLBD-SDDRHHMPSA-N 2 2 192.306 1.952 10 0 ADAELP CC1=[NH+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@@H]23 584659029 346745955 /nfs/dbraw/zinc/74/59/55/346745955.db2.gz IDKUMQUBXBQLBD-SDDRHHMPSA-N 2 2 192.306 1.952 10 0 ADAELP CC1=[NH+]C[C@@H]2CCC[N@@H+]3CCC[C@H]1[C@@H]23 584659027 346746052 /nfs/dbraw/zinc/74/60/52/346746052.db2.gz IDKUMQUBXBQLBD-QJPTWQEYSA-N 2 2 192.306 1.952 10 0 ADAELP CC1=[NH+]C[C@@H]2CCC[N@H+]3CCC[C@H]1[C@@H]23 584659027 346746055 /nfs/dbraw/zinc/74/60/55/346746055.db2.gz IDKUMQUBXBQLBD-QJPTWQEYSA-N 2 2 192.306 1.952 10 0 ADAELP CC1=[NH+]C[C@@H]2CCC[N@@H+]3CCC[C@@H]1[C@H]23 584659030 346746105 /nfs/dbraw/zinc/74/61/05/346746105.db2.gz IDKUMQUBXBQLBD-SRVKXCTJSA-N 2 2 192.306 1.952 10 0 ADAELP Cc1[nH]c2ccc(F)c(C[NH3+])c2[nH+]1 584881546 346749100 /nfs/dbraw/zinc/74/91/00/346749100.db2.gz KWJYVYUFDSTRCJ-UHFFFAOYSA-N 2 2 179.198 1.469 10 0 ADAELP CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 591866519 346825420 /nfs/dbraw/zinc/82/54/20/346825420.db2.gz BIFHFOOWANRHAN-JTQLQIEISA-N 2 2 179.267 1.540 10 0 ADAELP CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 591866519 346825424 /nfs/dbraw/zinc/82/54/24/346825424.db2.gz BIFHFOOWANRHAN-JTQLQIEISA-N 2 2 179.267 1.540 10 0 ADAELP CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 591866520 346825702 /nfs/dbraw/zinc/82/57/02/346825702.db2.gz BIFHFOOWANRHAN-SNVBAGLBSA-N 2 2 179.267 1.540 10 0 ADAELP CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 591866520 346825703 /nfs/dbraw/zinc/82/57/03/346825703.db2.gz BIFHFOOWANRHAN-SNVBAGLBSA-N 2 2 179.267 1.540 10 0 ADAELP CC[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 616575700 347103269 /nfs/dbraw/zinc/10/32/69/347103269.db2.gz CGDKBCKMWDXLPM-SNVBAGLBSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC1[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 616577634 347103312 /nfs/dbraw/zinc/10/33/12/347103312.db2.gz JPSIOYIWHWMGFK-NSHDSACASA-N 2 2 192.306 1.365 10 0 ADAELP CC[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 616575693 347103322 /nfs/dbraw/zinc/10/33/22/347103322.db2.gz CGDKBCKMWDXLPM-JTQLQIEISA-N 2 2 180.295 1.223 10 0 ADAELP C1CC1[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 616577630 347103416 /nfs/dbraw/zinc/10/34/16/347103416.db2.gz JPSIOYIWHWMGFK-LLVKDONJSA-N 2 2 192.306 1.365 10 0 ADAELP CCC[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 616577830 347104007 /nfs/dbraw/zinc/10/40/07/347104007.db2.gz MXSJCJNEWAEVRM-LLVKDONJSA-N 2 2 194.322 1.613 10 0 ADAELP CCC[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 616577835 347104182 /nfs/dbraw/zinc/10/41/82/347104182.db2.gz MXSJCJNEWAEVRM-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP F[C@@H]1CCC[C@H]1[N@@H+]1CCC[NH2+]CC1 616580849 347104689 /nfs/dbraw/zinc/10/46/89/347104689.db2.gz WIPBPECTVLVABL-NXEZZACHSA-N 2 2 186.274 1.172 10 0 ADAELP F[C@@H]1CCC[C@H]1[N@H+]1CCC[NH2+]CC1 616580849 347104693 /nfs/dbraw/zinc/10/46/93/347104693.db2.gz WIPBPECTVLVABL-NXEZZACHSA-N 2 2 186.274 1.172 10 0 ADAELP CC(C)[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 616580610 347104712 /nfs/dbraw/zinc/10/47/12/347104712.db2.gz ZBAQQJYFIJRKPH-LLVKDONJSA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 616580612 347104834 /nfs/dbraw/zinc/10/48/34/347104834.db2.gz ZBAQQJYFIJRKPH-NSHDSACASA-N 2 2 194.322 1.611 10 0 ADAELP CC[N@@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 616592688 347106881 /nfs/dbraw/zinc/10/68/81/347106881.db2.gz FUNWPRWBIWZJRG-SNVBAGLBSA-N 2 2 195.266 1.124 10 0 ADAELP CC[N@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 616592688 347106884 /nfs/dbraw/zinc/10/68/84/347106884.db2.gz FUNWPRWBIWZJRG-SNVBAGLBSA-N 2 2 195.266 1.124 10 0 ADAELP [NH3+]CC[N@H+]1CCCC[C@H](C(F)F)C1 616603118 347109914 /nfs/dbraw/zinc/10/99/14/347109914.db2.gz BDYHKVORDHLSTM-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP c1cn([C@H]2CCCC[NH2+]C2)c[nH+]1 616602599 347109067 /nfs/dbraw/zinc/10/90/67/347109067.db2.gz MQUPXVJKYQFGHN-VIFPVBQESA-N 2 2 165.240 1.198 10 0 ADAELP c1[nH]cc([C@H]2CCCC[NH2+]C2)[nH+]1 616601445 347109509 /nfs/dbraw/zinc/10/95/09/347109509.db2.gz CPIYYDGYWQHNHU-QMMMGPOBSA-N 2 2 165.240 1.267 10 0 ADAELP [NH3+]CC[N@@H+]1CCCC[C@H](C(F)F)C1 616603118 347109913 /nfs/dbraw/zinc/10/99/13/347109913.db2.gz BDYHKVORDHLSTM-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP CC[N@@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 616602792 347109944 /nfs/dbraw/zinc/10/99/44/347109944.db2.gz OORWPOMFLHETLU-JTQLQIEISA-N 2 2 193.294 1.999 10 0 ADAELP CC[N@H+]1CCCC[C@H](c2[nH]cc[nH+]2)C1 616602792 347109947 /nfs/dbraw/zinc/10/99/47/347109947.db2.gz OORWPOMFLHETLU-JTQLQIEISA-N 2 2 193.294 1.999 10 0 ADAELP C[N@@H+]1CCCC[C@H](n2cc[nH+]c2)C1 616603992 347110004 /nfs/dbraw/zinc/11/00/04/347110004.db2.gz YUYIRRJCHUIUAJ-JTQLQIEISA-N 2 2 179.267 1.540 10 0 ADAELP C[N@H+]1CCCC[C@H](n2cc[nH+]c2)C1 616603992 347110007 /nfs/dbraw/zinc/11/00/07/347110007.db2.gz YUYIRRJCHUIUAJ-JTQLQIEISA-N 2 2 179.267 1.540 10 0 ADAELP CC[N@@H+]1CCCC[C@H](n2cc[nH+]c2)C1 616603996 347110465 /nfs/dbraw/zinc/11/04/65/347110465.db2.gz YYZXMCQLWZBGSZ-NSHDSACASA-N 2 2 193.294 1.930 10 0 ADAELP CC[N@H+]1CCCC[C@H](n2cc[nH+]c2)C1 616603996 347110469 /nfs/dbraw/zinc/11/04/69/347110469.db2.gz YYZXMCQLWZBGSZ-NSHDSACASA-N 2 2 193.294 1.930 10 0 ADAELP c1c[nH+]c([C@H]2CCCC[NH2+]C2)[nH]1 616605407 347111196 /nfs/dbraw/zinc/11/11/96/347111196.db2.gz OMCALJCFAYWAQL-QMMMGPOBSA-N 2 2 165.240 1.267 10 0 ADAELP C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 616609593 347114772 /nfs/dbraw/zinc/11/47/72/347114772.db2.gz CTCKXJLTADZPEL-SECBINFHSA-N 2 2 179.267 1.609 10 0 ADAELP C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 616609593 347114774 /nfs/dbraw/zinc/11/47/74/347114774.db2.gz CTCKXJLTADZPEL-SECBINFHSA-N 2 2 179.267 1.609 10 0 ADAELP CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)CC1 616611481 347116108 /nfs/dbraw/zinc/11/61/08/347116108.db2.gz RKIZHQXCPBKNOZ-LLVKDONJSA-N 2 2 193.294 1.930 10 0 ADAELP CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 616612409 347117739 /nfs/dbraw/zinc/11/77/39/347117739.db2.gz ULULYIQEMVROGQ-SNVBAGLBSA-N 2 2 193.294 1.999 10 0 ADAELP CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)CC1 616612409 347117742 /nfs/dbraw/zinc/11/77/42/347117742.db2.gz ULULYIQEMVROGQ-SNVBAGLBSA-N 2 2 193.294 1.999 10 0 ADAELP CC[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616613186 347118629 /nfs/dbraw/zinc/11/86/29/347118629.db2.gz POTKTUACASNHPF-MRVPVSSYSA-N 2 2 165.240 1.219 10 0 ADAELP CC[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616613186 347118631 /nfs/dbraw/zinc/11/86/31/347118631.db2.gz POTKTUACASNHPF-MRVPVSSYSA-N 2 2 165.240 1.219 10 0 ADAELP CC[N@@H+]1CC[C@@H](n2cc[nH+]c2)C1 616613161 347118717 /nfs/dbraw/zinc/11/87/17/347118717.db2.gz OJICTMIAKAOQSQ-SECBINFHSA-N 2 2 165.240 1.150 10 0 ADAELP CC[N@H+]1CC[C@@H](n2cc[nH+]c2)C1 616613161 347118719 /nfs/dbraw/zinc/11/87/19/347118719.db2.gz OJICTMIAKAOQSQ-SECBINFHSA-N 2 2 165.240 1.150 10 0 ADAELP CC(C)[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616613984 347119346 /nfs/dbraw/zinc/11/93/46/347119346.db2.gz YDEXHLPQBJQTHG-VIFPVBQESA-N 2 2 179.267 1.607 10 0 ADAELP CC(C)[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616613984 347119349 /nfs/dbraw/zinc/11/93/49/347119349.db2.gz YDEXHLPQBJQTHG-VIFPVBQESA-N 2 2 179.267 1.607 10 0 ADAELP CC[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616613759 347119642 /nfs/dbraw/zinc/11/96/42/347119642.db2.gz POTKTUACASNHPF-QMMMGPOBSA-N 2 2 165.240 1.219 10 0 ADAELP CC[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616613759 347119644 /nfs/dbraw/zinc/11/96/44/347119644.db2.gz POTKTUACASNHPF-QMMMGPOBSA-N 2 2 165.240 1.219 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616613829 347119668 /nfs/dbraw/zinc/11/96/68/347119668.db2.gz RSGPXAAMEQVDJY-VIFPVBQESA-N 2 2 193.294 1.998 10 0 ADAELP CC(C)(C)[N@H+]1CC[C@H](c2[nH]cc[nH+]2)C1 616613829 347119671 /nfs/dbraw/zinc/11/96/71/347119671.db2.gz RSGPXAAMEQVDJY-VIFPVBQESA-N 2 2 193.294 1.998 10 0 ADAELP CC[N@@H+]1CC[C@H](n2cc[nH+]c2)C1 616613641 347119773 /nfs/dbraw/zinc/11/97/73/347119773.db2.gz OJICTMIAKAOQSQ-VIFPVBQESA-N 2 2 165.240 1.150 10 0 ADAELP CC[N@H+]1CC[C@H](n2cc[nH+]c2)C1 616613641 347119775 /nfs/dbraw/zinc/11/97/75/347119775.db2.gz OJICTMIAKAOQSQ-VIFPVBQESA-N 2 2 165.240 1.150 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616614856 347121176 /nfs/dbraw/zinc/12/11/76/347121176.db2.gz YDEXHLPQBJQTHG-SECBINFHSA-N 2 2 179.267 1.607 10 0 ADAELP CC(C)[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616614856 347121178 /nfs/dbraw/zinc/12/11/78/347121178.db2.gz YDEXHLPQBJQTHG-SECBINFHSA-N 2 2 179.267 1.607 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616614607 347121189 /nfs/dbraw/zinc/12/11/89/347121189.db2.gz RSGPXAAMEQVDJY-SECBINFHSA-N 2 2 193.294 1.998 10 0 ADAELP CC(C)(C)[N@H+]1CC[C@@H](c2[nH]cc[nH+]2)C1 616614607 347121193 /nfs/dbraw/zinc/12/11/93/347121193.db2.gz RSGPXAAMEQVDJY-SECBINFHSA-N 2 2 193.294 1.998 10 0 ADAELP C[NH+]1CCC(c2ccc[nH+]c2N)CC1 616619657 347126138 /nfs/dbraw/zinc/12/61/38/347126138.db2.gz UNAFGSCVVLBWOV-UHFFFAOYSA-N 2 2 191.278 1.473 10 0 ADAELP c1[nH]cc([C@@H]2CCCC[NH2+]C2)[nH+]1 616624275 347128961 /nfs/dbraw/zinc/12/89/61/347128961.db2.gz CPIYYDGYWQHNHU-MRVPVSSYSA-N 2 2 165.240 1.267 10 0 ADAELP c1cn([C@@H]2CCCC[NH2+]C2)c[nH+]1 616625049 347129109 /nfs/dbraw/zinc/12/91/09/347129109.db2.gz MQUPXVJKYQFGHN-SECBINFHSA-N 2 2 165.240 1.198 10 0 ADAELP c1c[nH+]c([C@@H]2CCCC[NH2+]C2)[nH]1 616625434 347129425 /nfs/dbraw/zinc/12/94/25/347129425.db2.gz OMCALJCFAYWAQL-MRVPVSSYSA-N 2 2 165.240 1.267 10 0 ADAELP C[N@@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 616627638 347130035 /nfs/dbraw/zinc/13/00/35/347130035.db2.gz JWPUAFSVGXIHAH-VIFPVBQESA-N 2 2 179.267 1.609 10 0 ADAELP C[N@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 616627638 347130036 /nfs/dbraw/zinc/13/00/36/347130036.db2.gz JWPUAFSVGXIHAH-VIFPVBQESA-N 2 2 179.267 1.609 10 0 ADAELP [NH3+]CC[N@@H+]1CCCC[C@@H](C(F)F)C1 616627406 347130048 /nfs/dbraw/zinc/13/00/48/347130048.db2.gz BDYHKVORDHLSTM-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP [NH3+]CC[N@H+]1CCCC[C@@H](C(F)F)C1 616627406 347130049 /nfs/dbraw/zinc/13/00/49/347130049.db2.gz BDYHKVORDHLSTM-MRVPVSSYSA-N 2 2 192.253 1.312 10 0 ADAELP CC[N@@H+]1CCC[C@H](c2c[nH]c[nH+]2)CC1 616626753 347130086 /nfs/dbraw/zinc/13/00/86/347130086.db2.gz ASTXHXPSHLLWTG-JTQLQIEISA-N 2 2 193.294 1.999 10 0 ADAELP C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 616626865 347130277 /nfs/dbraw/zinc/13/02/77/347130277.db2.gz CTCKXJLTADZPEL-VIFPVBQESA-N 2 2 179.267 1.609 10 0 ADAELP C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 616626865 347130281 /nfs/dbraw/zinc/13/02/81/347130281.db2.gz CTCKXJLTADZPEL-VIFPVBQESA-N 2 2 179.267 1.609 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@H](C(F)F)CC1 616628735 347130856 /nfs/dbraw/zinc/13/08/56/347130856.db2.gz QGDVLTVUSRKMCL-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@H](C(F)F)CC1 616628735 347130858 /nfs/dbraw/zinc/13/08/58/347130858.db2.gz QGDVLTVUSRKMCL-QMMMGPOBSA-N 2 2 192.253 1.312 10 0 ADAELP CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)CC1 616628937 347130887 /nfs/dbraw/zinc/13/08/87/347130887.db2.gz RKIZHQXCPBKNOZ-NSHDSACASA-N 2 2 193.294 1.930 10 0 ADAELP CC[N@H+]1CCC[C@H](n2cc[nH+]c2)CC1 616628937 347130889 /nfs/dbraw/zinc/13/08/89/347130889.db2.gz RKIZHQXCPBKNOZ-NSHDSACASA-N 2 2 193.294 1.930 10 0 ADAELP CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)CC1 616630043 347130894 /nfs/dbraw/zinc/13/08/94/347130894.db2.gz ULULYIQEMVROGQ-JTQLQIEISA-N 2 2 193.294 1.999 10 0 ADAELP CC[N@@H+]1CCCO[C@H](n2cc[nH+]c2)C1 616648725 347149039 /nfs/dbraw/zinc/14/90/39/347149039.db2.gz ALUWQIVXWOYQJO-JTQLQIEISA-N 2 2 195.266 1.124 10 0 ADAELP CC[N@H+]1CCCO[C@H](n2cc[nH+]c2)C1 616648725 347149042 /nfs/dbraw/zinc/14/90/42/347149042.db2.gz ALUWQIVXWOYQJO-JTQLQIEISA-N 2 2 195.266 1.124 10 0 ADAELP C[N@@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 616651848 347153037 /nfs/dbraw/zinc/15/30/37/347153037.db2.gz AOPDXZHWPWLAFG-SECBINFHSA-N 2 2 179.267 1.609 10 0 ADAELP C[N@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 616651848 347153040 /nfs/dbraw/zinc/15/30/40/347153040.db2.gz AOPDXZHWPWLAFG-SECBINFHSA-N 2 2 179.267 1.609 10 0 ADAELP CC[N@@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 616651833 347153150 /nfs/dbraw/zinc/15/31/50/347153150.db2.gz ALUWQIVXWOYQJO-SNVBAGLBSA-N 2 2 195.266 1.124 10 0 ADAELP CC[N@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 616651833 347153151 /nfs/dbraw/zinc/15/31/51/347153151.db2.gz ALUWQIVXWOYQJO-SNVBAGLBSA-N 2 2 195.266 1.124 10 0 ADAELP CC[N@@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 616654838 347155874 /nfs/dbraw/zinc/15/58/74/347155874.db2.gz OORWPOMFLHETLU-SNVBAGLBSA-N 2 2 193.294 1.999 10 0 ADAELP CC[N@H+]1CCCC[C@@H](c2[nH]cc[nH+]2)C1 616654838 347155879 /nfs/dbraw/zinc/15/58/79/347155879.db2.gz OORWPOMFLHETLU-SNVBAGLBSA-N 2 2 193.294 1.999 10 0 ADAELP C[N@@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 616657126 347157982 /nfs/dbraw/zinc/15/79/82/347157982.db2.gz YUYIRRJCHUIUAJ-SNVBAGLBSA-N 2 2 179.267 1.540 10 0 ADAELP C[N@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 616657126 347157985 /nfs/dbraw/zinc/15/79/85/347157985.db2.gz YUYIRRJCHUIUAJ-SNVBAGLBSA-N 2 2 179.267 1.540 10 0 ADAELP CC[N@@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 616657132 347158018 /nfs/dbraw/zinc/15/80/18/347158018.db2.gz YYZXMCQLWZBGSZ-LLVKDONJSA-N 2 2 193.294 1.930 10 0 ADAELP CC[N@H+]1CCCC[C@@H](n2cc[nH+]c2)C1 616657132 347158021 /nfs/dbraw/zinc/15/80/21/347158021.db2.gz YYZXMCQLWZBGSZ-LLVKDONJSA-N 2 2 193.294 1.930 10 0 ADAELP CC[N@@H+]1CCO[C@H](n2cc[nH+]c2)CC1 616684181 347168126 /nfs/dbraw/zinc/16/81/26/347168126.db2.gz FUNWPRWBIWZJRG-JTQLQIEISA-N 2 2 195.266 1.124 10 0 ADAELP CC[N@H+]1CCO[C@H](n2cc[nH+]c2)CC1 616684181 347168127 /nfs/dbraw/zinc/16/81/27/347168127.db2.gz FUNWPRWBIWZJRG-JTQLQIEISA-N 2 2 195.266 1.124 10 0 ADAELP CC1CC(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 621383450 347228294 /nfs/dbraw/zinc/22/82/94/347228294.db2.gz HOHIAKYXBFRBJI-RSJDFQLWSA-N 2 2 196.338 1.572 10 0 ADAELP CC1CC(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 621383450 347228297 /nfs/dbraw/zinc/22/82/97/347228297.db2.gz HOHIAKYXBFRBJI-RSJDFQLWSA-N 2 2 196.338 1.572 10 0 ADAELP CC1CC(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 621383448 347228351 /nfs/dbraw/zinc/22/83/51/347228351.db2.gz HOHIAKYXBFRBJI-ADPBJBESSA-N 2 2 196.338 1.572 10 0 ADAELP CC1CC(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 621383448 347228353 /nfs/dbraw/zinc/22/83/53/347228353.db2.gz HOHIAKYXBFRBJI-ADPBJBESSA-N 2 2 196.338 1.572 10 0 ADAELP CC1CC(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 621383451 347228372 /nfs/dbraw/zinc/22/83/72/347228372.db2.gz HOHIAKYXBFRBJI-RUJICJSRSA-N 2 2 196.338 1.572 10 0 ADAELP CC1CC(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 621383451 347228376 /nfs/dbraw/zinc/22/83/76/347228376.db2.gz HOHIAKYXBFRBJI-RUJICJSRSA-N 2 2 196.338 1.572 10 0 ADAELP CC1CC(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 621383449 347228397 /nfs/dbraw/zinc/22/83/97/347228397.db2.gz HOHIAKYXBFRBJI-POSLAHMBSA-N 2 2 196.338 1.572 10 0 ADAELP CC1CC(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 621383449 347228400 /nfs/dbraw/zinc/22/84/00/347228400.db2.gz HOHIAKYXBFRBJI-POSLAHMBSA-N 2 2 196.338 1.572 10 0 ADAELP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC1(F)CC1)C2 622004113 347235557 /nfs/dbraw/zinc/23/55/57/347235557.db2.gz KMAGRFPAYIHEKG-MWLCHTKSSA-N 2 2 198.285 1.302 10 0 ADAELP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1(F)CC1)C2 622004113 347235558 /nfs/dbraw/zinc/23/55/58/347235558.db2.gz KMAGRFPAYIHEKG-MWLCHTKSSA-N 2 2 198.285 1.302 10 0 ADAELP [NH3+][C@@]12CCC[C@H]1C[N@H+](CC1(F)CC1)C2 622004111 347235663 /nfs/dbraw/zinc/23/56/63/347235663.db2.gz KMAGRFPAYIHEKG-GXSJLCMTSA-N 2 2 198.285 1.302 10 0 ADAELP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1(F)CC1)C2 622004111 347235664 /nfs/dbraw/zinc/23/56/64/347235664.db2.gz KMAGRFPAYIHEKG-GXSJLCMTSA-N 2 2 198.285 1.302 10 0 ADAELP [NH3+][C@]12CCC[C@@H]1C[N@H+](CC1(F)CC1)C2 622004112 347235752 /nfs/dbraw/zinc/23/57/52/347235752.db2.gz KMAGRFPAYIHEKG-KOLCDFICSA-N 2 2 198.285 1.302 10 0 ADAELP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1(F)CC1)C2 622004112 347235754 /nfs/dbraw/zinc/23/57/54/347235754.db2.gz KMAGRFPAYIHEKG-KOLCDFICSA-N 2 2 198.285 1.302 10 0 ADAELP [NH3+][C@]12CCC[C@H]1C[N@H+](CC1(F)CC1)C2 622004114 347235829 /nfs/dbraw/zinc/23/58/29/347235829.db2.gz KMAGRFPAYIHEKG-ONGXEEELSA-N 2 2 198.285 1.302 10 0 ADAELP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1(F)CC1)C2 622004114 347235830 /nfs/dbraw/zinc/23/58/30/347235830.db2.gz KMAGRFPAYIHEKG-ONGXEEELSA-N 2 2 198.285 1.302 10 0 ADAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C 623635103 347260019 /nfs/dbraw/zinc/26/00/19/347260019.db2.gz UTSYGVHLZMLZBR-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C 623635103 347260022 /nfs/dbraw/zinc/26/00/22/347260022.db2.gz UTSYGVHLZMLZBR-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 623635102 347260496 /nfs/dbraw/zinc/26/04/96/347260496.db2.gz UTSYGVHLZMLZBR-DDHJBXDOSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 623635102 347260498 /nfs/dbraw/zinc/26/04/98/347260498.db2.gz UTSYGVHLZMLZBR-DDHJBXDOSA-N 2 2 196.338 1.715 10 0 ADAELP C/C=C\C[NH2+]Cc1c[nH+]c(C)n1C 623739623 347261766 /nfs/dbraw/zinc/26/17/66/347261766.db2.gz APSVYKTZFQGMCU-PLNGDYQASA-N 2 2 179.267 1.394 10 0 ADAELP C/C=C/C[NH2+]Cc1c[nH+]c(C)n1C 623739624 347261704 /nfs/dbraw/zinc/26/17/04/347261704.db2.gz APSVYKTZFQGMCU-SNAWJCMRSA-N 2 2 179.267 1.394 10 0 ADAELP C/C=C/C[NH2+]Cc1c[nH+]c2n1CCC2 623739828 347261709 /nfs/dbraw/zinc/26/17/09/347261709.db2.gz HQNHPRTXPKMSLI-NSCUHMNNSA-N 2 2 191.278 1.495 10 0 ADAELP C/C=C\C[NH2+]Cc1c[nH+]c2n1CCC2 623739827 347261760 /nfs/dbraw/zinc/26/17/60/347261760.db2.gz HQNHPRTXPKMSLI-IHWYPQMZSA-N 2 2 191.278 1.495 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 623739258 347261782 /nfs/dbraw/zinc/26/17/82/347261782.db2.gz OQODFRZICIPBNE-OCIBVNFRSA-N 2 2 168.284 1.102 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 623739258 347261784 /nfs/dbraw/zinc/26/17/84/347261784.db2.gz OQODFRZICIPBNE-OCIBVNFRSA-N 2 2 168.284 1.102 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 623739257 347261894 /nfs/dbraw/zinc/26/18/94/347261894.db2.gz OQODFRZICIPBNE-NUNSBDKSSA-N 2 2 168.284 1.102 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 623739257 347261897 /nfs/dbraw/zinc/26/18/97/347261897.db2.gz OQODFRZICIPBNE-NUNSBDKSSA-N 2 2 168.284 1.102 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 623739259 347262001 /nfs/dbraw/zinc/26/20/01/347262001.db2.gz OQODFRZICIPBNE-YVDHIRPGSA-N 2 2 168.284 1.102 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 623739259 347262004 /nfs/dbraw/zinc/26/20/04/347262004.db2.gz OQODFRZICIPBNE-YVDHIRPGSA-N 2 2 168.284 1.102 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 623739256 347262017 /nfs/dbraw/zinc/26/20/17/347262017.db2.gz OQODFRZICIPBNE-BYIQDMNASA-N 2 2 168.284 1.102 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 623739256 347262020 /nfs/dbraw/zinc/26/20/20/347262020.db2.gz OQODFRZICIPBNE-BYIQDMNASA-N 2 2 168.284 1.102 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C 623786494 347263947 /nfs/dbraw/zinc/26/39/47/347263947.db2.gz UTSYGVHLZMLZBR-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C 623786494 347263950 /nfs/dbraw/zinc/26/39/50/347263950.db2.gz UTSYGVHLZMLZBR-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1C[C@H]1C 623786493 347264195 /nfs/dbraw/zinc/26/41/95/347264195.db2.gz UTSYGVHLZMLZBR-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1C[C@H]1C 623786493 347264199 /nfs/dbraw/zinc/26/41/99/347264199.db2.gz UTSYGVHLZMLZBR-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C 624101545 347269981 /nfs/dbraw/zinc/26/99/81/347269981.db2.gz NBJJWJSJKIQWLY-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C 624101545 347269984 /nfs/dbraw/zinc/26/99/84/347269984.db2.gz NBJJWJSJKIQWLY-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@@H]1C 624101544 347270329 /nfs/dbraw/zinc/27/03/29/347270329.db2.gz NBJJWJSJKIQWLY-DDHJBXDOSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@@H]1C 624101544 347270335 /nfs/dbraw/zinc/27/03/35/347270335.db2.gz NBJJWJSJKIQWLY-DDHJBXDOSA-N 2 2 196.338 1.715 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 624197562 347271913 /nfs/dbraw/zinc/27/19/13/347271913.db2.gz PUAGMURBACSQON-KJDJKKKBSA-N 2 2 194.322 1.635 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C 624197562 347271915 /nfs/dbraw/zinc/27/19/15/347271915.db2.gz PUAGMURBACSQON-KJDJKKKBSA-N 2 2 194.322 1.635 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C 624197564 347272154 /nfs/dbraw/zinc/27/21/54/347272154.db2.gz PUAGMURBACSQON-YZKQYGISSA-N 2 2 194.322 1.635 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C 624197564 347272157 /nfs/dbraw/zinc/27/21/57/347272157.db2.gz PUAGMURBACSQON-YZKQYGISSA-N 2 2 194.322 1.635 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C 624197561 347272183 /nfs/dbraw/zinc/27/21/83/347272183.db2.gz PUAGMURBACSQON-ISBNUJHVSA-N 2 2 194.322 1.635 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C 624197561 347272184 /nfs/dbraw/zinc/27/21/84/347272184.db2.gz PUAGMURBACSQON-ISBNUJHVSA-N 2 2 194.322 1.635 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 624197563 347272241 /nfs/dbraw/zinc/27/22/41/347272241.db2.gz PUAGMURBACSQON-OIFMLDNNSA-N 2 2 194.322 1.635 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C 624197563 347272243 /nfs/dbraw/zinc/27/22/43/347272243.db2.gz PUAGMURBACSQON-OIFMLDNNSA-N 2 2 194.322 1.635 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@@H]1C 624271934 347275971 /nfs/dbraw/zinc/27/59/71/347275971.db2.gz NBJJWJSJKIQWLY-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@@H]1C 624271934 347275972 /nfs/dbraw/zinc/27/59/72/347275972.db2.gz NBJJWJSJKIQWLY-WISYIIOYSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 624272067 347276018 /nfs/dbraw/zinc/27/60/18/347276018.db2.gz VPATYMKTYFZWHL-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 624272067 347276019 /nfs/dbraw/zinc/27/60/19/347276019.db2.gz VPATYMKTYFZWHL-SDDRHHMPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 624272068 347276050 /nfs/dbraw/zinc/27/60/50/347276050.db2.gz VPATYMKTYFZWHL-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 624272068 347276051 /nfs/dbraw/zinc/27/60/51/347276051.db2.gz VPATYMKTYFZWHL-SRVKXCTJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 624271933 347276065 /nfs/dbraw/zinc/27/60/65/347276065.db2.gz NBJJWJSJKIQWLY-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 624271933 347276067 /nfs/dbraw/zinc/27/60/67/347276067.db2.gz NBJJWJSJKIQWLY-NOOOWODRSA-N 2 2 196.338 1.715 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCc2[nH+]c[nH]c2C1 625436246 347286021 /nfs/dbraw/zinc/28/60/21/347286021.db2.gz GXUUNQJADHCBHA-MRVPVSSYSA-N 2 2 179.267 1.566 10 0 ADAELP CC[C@@H](C)[N@H+]1CCc2[nH+]c[nH]c2C1 625436246 347286025 /nfs/dbraw/zinc/28/60/25/347286025.db2.gz GXUUNQJADHCBHA-MRVPVSSYSA-N 2 2 179.267 1.566 10 0 ADAELP C[C@H]1C[C@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 625434409 347286140 /nfs/dbraw/zinc/28/61/40/347286140.db2.gz SKHQVIGAGUGDBB-IUCAKERBSA-N 2 2 191.278 1.424 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 625434410 347286260 /nfs/dbraw/zinc/28/62/60/347286260.db2.gz SKHQVIGAGUGDBB-RKDXNWHRSA-N 2 2 191.278 1.424 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 625434410 347286264 /nfs/dbraw/zinc/28/62/64/347286264.db2.gz SKHQVIGAGUGDBB-RKDXNWHRSA-N 2 2 191.278 1.424 10 0 ADAELP CC[C@H](C)[N@H+]1CCc2[nH+]c[nH]c2C1 625436247 347286429 /nfs/dbraw/zinc/28/64/29/347286429.db2.gz GXUUNQJADHCBHA-QMMMGPOBSA-N 2 2 179.267 1.566 10 0 ADAELP CC[C@H](C)[N@@H+]1CCc2[nH+]c[nH]c2C1 625436247 347286428 /nfs/dbraw/zinc/28/64/28/347286428.db2.gz GXUUNQJADHCBHA-QMMMGPOBSA-N 2 2 179.267 1.566 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 625434408 347286520 /nfs/dbraw/zinc/28/65/20/347286520.db2.gz SKHQVIGAGUGDBB-DTWKUNHWSA-N 2 2 191.278 1.424 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 625434408 347286523 /nfs/dbraw/zinc/28/65/23/347286523.db2.gz SKHQVIGAGUGDBB-DTWKUNHWSA-N 2 2 191.278 1.424 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 625434407 347286557 /nfs/dbraw/zinc/28/65/57/347286557.db2.gz SKHQVIGAGUGDBB-BDAKNGLRSA-N 2 2 191.278 1.424 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 625434407 347286560 /nfs/dbraw/zinc/28/65/60/347286560.db2.gz SKHQVIGAGUGDBB-BDAKNGLRSA-N 2 2 191.278 1.424 10 0 ADAELP Cc1[nH+]cc(C[N@H+]2C[C@H]3C[C@H]3C2)n1C 628411400 347318147 /nfs/dbraw/zinc/31/81/47/347318147.db2.gz FQDFFSTULCSMCL-AOOOYVTPSA-N 2 2 191.278 1.180 10 0 ADAELP Cc1[nH+]cc(C[N@@H+]2C[C@H]3C[C@H]3C2)n1C 628411400 347318151 /nfs/dbraw/zinc/31/81/51/347318151.db2.gz FQDFFSTULCSMCL-AOOOYVTPSA-N 2 2 191.278 1.180 10 0 ADAELP C[C@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C 628477159 347318851 /nfs/dbraw/zinc/31/88/51/347318851.db2.gz JVXVPBFMCVABBD-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C 628477159 347318854 /nfs/dbraw/zinc/31/88/54/347318854.db2.gz JVXVPBFMCVABBD-AXFHLTTASA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C 628477160 347319070 /nfs/dbraw/zinc/31/90/70/347319070.db2.gz JVXVPBFMCVABBD-DCAQKATOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C 628477160 347319073 /nfs/dbraw/zinc/31/90/73/347319073.db2.gz JVXVPBFMCVABBD-DCAQKATOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccs1 629404967 347342145 /nfs/dbraw/zinc/34/21/45/347342145.db2.gz DWTHZXRODRBPJG-WCBMZHEXSA-N 2 2 196.319 1.588 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccsc1 629407275 347343234 /nfs/dbraw/zinc/34/32/34/347343234.db2.gz YONVXMQWQCZXOE-WCBMZHEXSA-N 2 2 196.319 1.588 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 629539630 347346203 /nfs/dbraw/zinc/34/62/03/347346203.db2.gz QYPXTDLFEVKFHC-HWKXXFMVSA-N 2 2 168.284 1.150 10 0 ADAELP C/C=C\C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 629539632 347346243 /nfs/dbraw/zinc/34/62/43/347346243.db2.gz QYPXTDLFEVKFHC-RWCMCFKCSA-N 2 2 168.284 1.150 10 0 ADAELP C/C=C/C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 629540503 347346253 /nfs/dbraw/zinc/34/62/53/347346253.db2.gz VBRLHKIHENOPOS-MJKAUQOVSA-N 2 2 182.311 1.683 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 629539627 347346455 /nfs/dbraw/zinc/34/64/55/347346455.db2.gz QYPXTDLFEVKFHC-HIHHVFROSA-N 2 2 168.284 1.150 10 0 ADAELP C/C=C\C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 629540502 347346489 /nfs/dbraw/zinc/34/64/89/347346489.db2.gz VBRLHKIHENOPOS-CBZSPVTBSA-N 2 2 182.311 1.683 10 0 ADAELP C/C=C/C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 629539600 347346496 /nfs/dbraw/zinc/34/64/96/347346496.db2.gz QYPXTDLFEVKFHC-FCVPOFOPSA-N 2 2 168.284 1.150 10 0 ADAELP C/C=C\C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 629540505 347347035 /nfs/dbraw/zinc/34/70/35/347347035.db2.gz VBRLHKIHENOPOS-WZQADMAKSA-N 2 2 182.311 1.683 10 0 ADAELP C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]C1 629553890 347349561 /nfs/dbraw/zinc/34/95/61/347349561.db2.gz DDHPQVUDLYXGGA-MWLCHTKSSA-N 2 2 194.278 1.162 10 0 ADAELP C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[NH2+]C1 629553889 347350034 /nfs/dbraw/zinc/35/00/34/347350034.db2.gz DDHPQVUDLYXGGA-GXSJLCMTSA-N 2 2 194.278 1.162 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]CC1(F)CC1 629654851 347355006 /nfs/dbraw/zinc/35/50/06/347355006.db2.gz SNJOWECGYRASRD-DTWKUNHWSA-N 2 2 186.274 1.219 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]CC2(F)CC2)C[NH2+]1 629659671 347355120 /nfs/dbraw/zinc/35/51/20/347355120.db2.gz DXPMKVCVRPQREF-BDAKNGLRSA-N 2 2 186.274 1.219 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]CC2(F)CC2)C[NH2+]1 629659673 347355141 /nfs/dbraw/zinc/35/51/41/347355141.db2.gz DXPMKVCVRPQREF-IUCAKERBSA-N 2 2 186.274 1.219 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]CC2(F)CC2)C[NH2+]1 629659674 347355250 /nfs/dbraw/zinc/35/52/50/347355250.db2.gz DXPMKVCVRPQREF-RKDXNWHRSA-N 2 2 186.274 1.219 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]CC2(F)CC2)C[NH2+]1 629659672 347355273 /nfs/dbraw/zinc/35/52/73/347355273.db2.gz DXPMKVCVRPQREF-DTWKUNHWSA-N 2 2 186.274 1.219 10 0 ADAELP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C[NH3+] 630566624 347367045 /nfs/dbraw/zinc/36/70/45/347367045.db2.gz DNFVKKPIJKFOHY-NXEZZACHSA-N 2 2 191.278 1.113 10 0 ADAELP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C[NH3+] 630566625 347367056 /nfs/dbraw/zinc/36/70/56/347367056.db2.gz DNFVKKPIJKFOHY-UWVGGRQHSA-N 2 2 191.278 1.113 10 0 ADAELP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C[NH3+] 630566626 347367178 /nfs/dbraw/zinc/36/71/78/347367178.db2.gz DNFVKKPIJKFOHY-VHSXEESVSA-N 2 2 191.278 1.113 10 0 ADAELP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C[NH3+] 630566627 347367184 /nfs/dbraw/zinc/36/71/84/347367184.db2.gz DNFVKKPIJKFOHY-ZJUUUORDSA-N 2 2 191.278 1.113 10 0 ADAELP Cc1[nH+]cc(C[NH2+]CC(C)(C)F)n1C 631188363 347376754 /nfs/dbraw/zinc/37/67/54/347376754.db2.gz CXPPBNUIKZECQH-UHFFFAOYSA-N 2 2 199.273 1.566 10 0 ADAELP CCCC[N@@H+]1CCCCC[C@H]([NH3+])C1 631831344 347387786 /nfs/dbraw/zinc/38/77/86/347387786.db2.gz AXTNDIBTXIVOEN-NSHDSACASA-N 2 2 184.327 1.990 10 0 ADAELP CCCC[N@H+]1CCCCC[C@H]([NH3+])C1 631831344 347387788 /nfs/dbraw/zinc/38/77/88/347387788.db2.gz AXTNDIBTXIVOEN-NSHDSACASA-N 2 2 184.327 1.990 10 0 ADAELP CCCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 631831343 347387998 /nfs/dbraw/zinc/38/79/98/347387998.db2.gz AXTNDIBTXIVOEN-LLVKDONJSA-N 2 2 184.327 1.990 10 0 ADAELP CCCC[N@H+]1CCCCC[C@@H]([NH3+])C1 631831343 347388000 /nfs/dbraw/zinc/38/80/00/347388000.db2.gz AXTNDIBTXIVOEN-LLVKDONJSA-N 2 2 184.327 1.990 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 631835826 347388558 /nfs/dbraw/zinc/38/85/58/347388558.db2.gz YMEGGOHKWADMGS-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@@H]([NH3+])C1 631835826 347388560 /nfs/dbraw/zinc/38/85/60/347388560.db2.gz YMEGGOHKWADMGS-GRYCIOLGSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+]1CCCCC[C@H]([NH3+])C1 631835829 347388824 /nfs/dbraw/zinc/38/88/24/347388824.db2.gz YMEGGOHKWADMGS-WOPDTQHZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+]1CCCCC[C@H]([NH3+])C1 631835829 347388826 /nfs/dbraw/zinc/38/88/26/347388826.db2.gz YMEGGOHKWADMGS-WOPDTQHZSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]([NH3+])C[NH+]1CCC(CCF)CC1 631837800 347388959 /nfs/dbraw/zinc/38/89/59/347388959.db2.gz XFKPFSFOQMWRGU-SECBINFHSA-N 2 2 188.290 1.405 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+]1CCCCC[C@H]([NH3+])C1 631835828 347389135 /nfs/dbraw/zinc/38/91/35/347389135.db2.gz YMEGGOHKWADMGS-UTUOFQBUSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+]1CCCCC[C@H]([NH3+])C1 631835828 347389136 /nfs/dbraw/zinc/38/91/36/347389136.db2.gz YMEGGOHKWADMGS-UTUOFQBUSA-N 2 2 196.338 1.846 10 0 ADAELP [NH3+][C@@H]1CCCCC[N@H+](CC2CCC2)C1 631834215 347389260 /nfs/dbraw/zinc/38/92/60/347389260.db2.gz RYOMNXUFWCCQCK-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+][C@@H]1CCCCC[N@@H+](CC2CCC2)C1 631834215 347389262 /nfs/dbraw/zinc/38/92/62/347389262.db2.gz RYOMNXUFWCCQCK-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+][C@H]1CCCCC[N@H+](CC2CCC2)C1 631834216 347389266 /nfs/dbraw/zinc/38/92/66/347389266.db2.gz RYOMNXUFWCCQCK-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+][C@H]1CCCCC[N@@H+](CC2CCC2)C1 631834216 347389267 /nfs/dbraw/zinc/38/92/67/347389267.db2.gz RYOMNXUFWCCQCK-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@H]([NH3+])C[NH+]1CCC(CCF)CC1 631837801 347389376 /nfs/dbraw/zinc/38/93/76/347389376.db2.gz XFKPFSFOQMWRGU-VIFPVBQESA-N 2 2 188.290 1.405 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+]1CCCCC[C@@H]([NH3+])C1 631835827 347389431 /nfs/dbraw/zinc/38/94/31/347389431.db2.gz YMEGGOHKWADMGS-IJLUTSLNSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+]1CCCCC[C@@H]([NH3+])C1 631835827 347389433 /nfs/dbraw/zinc/38/94/33/347389433.db2.gz YMEGGOHKWADMGS-IJLUTSLNSA-N 2 2 196.338 1.846 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@@H](C2CCC2)CC1 631872573 347393561 /nfs/dbraw/zinc/39/35/61/347393561.db2.gz CJFKNQQFDKKOHK-GFCCVEGCSA-N 2 2 196.338 1.847 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@@H](C2CCC2)CC1 631872573 347393562 /nfs/dbraw/zinc/39/35/62/347393562.db2.gz CJFKNQQFDKKOHK-GFCCVEGCSA-N 2 2 196.338 1.847 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@H](C2CCC2)CC1 631872574 347393823 /nfs/dbraw/zinc/39/38/23/347393823.db2.gz CJFKNQQFDKKOHK-LBPRGKRZSA-N 2 2 196.338 1.847 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@H](C2CCC2)CC1 631872574 347393826 /nfs/dbraw/zinc/39/38/26/347393826.db2.gz CJFKNQQFDKKOHK-LBPRGKRZSA-N 2 2 196.338 1.847 10 0 ADAELP CC1(C)CC[N@H+](CC23CC(C[NH2+]2)C3)C1 634992322 347432467 /nfs/dbraw/zinc/43/24/67/347432467.db2.gz LMCWQGHIKNCYEG-UHFFFAOYSA-N 2 2 194.322 1.470 10 0 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/nfs/dbraw/zinc/43/38/41/347433841.db2.gz MAAAMVUOHDKTAF-QKEWWQLBSA-N 2 2 194.322 1.469 10 0 ADAELP C[C@H]1[C@H](C)CC[N@H+]1CC12CC(C[NH2+]1)C2 634993145 347433843 /nfs/dbraw/zinc/43/38/43/347433843.db2.gz MAAAMVUOHDKTAF-QKEWWQLBSA-N 2 2 194.322 1.469 10 0 ADAELP CC1(C[N@@H+]2CCCCC[C@H]([NH3+])C2)CC1 634997744 347435310 /nfs/dbraw/zinc/43/53/10/347435310.db2.gz RLUYBUGJJNEFMK-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP CC1(C[N@H+]2CCCCC[C@H]([NH3+])C2)CC1 634997744 347435312 /nfs/dbraw/zinc/43/53/12/347435312.db2.gz RLUYBUGJJNEFMK-NSHDSACASA-N 2 2 196.338 1.990 10 0 ADAELP CC1(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)CC1 634997743 347435518 /nfs/dbraw/zinc/43/55/18/347435518.db2.gz RLUYBUGJJNEFMK-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP CC1(C[N@H+]2CCCCC[C@@H]([NH3+])C2)CC1 634997743 347435521 /nfs/dbraw/zinc/43/55/21/347435521.db2.gz RLUYBUGJJNEFMK-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H](C[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1)[NH+](C)C 638865643 347494191 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DLZVJIHUEYGTJF-QMMMGPOBSA-N 2 2 165.240 1.094 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](n2cc[nH+]c2)C1 22565350 351413522 /nfs/dbraw/zinc/41/35/22/351413522.db2.gz YPJBYCVFRPXYHY-UTLUCORTSA-N 2 2 179.267 1.572 10 0 ADAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](n2cc[nH+]c2)C1 22565341 351413643 /nfs/dbraw/zinc/41/36/43/351413643.db2.gz YPJBYCVFRPXYHY-BBBLOLIVSA-N 2 2 179.267 1.572 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 23066856 351414978 /nfs/dbraw/zinc/41/49/78/351414978.db2.gz HYKPGDCXQSRTAJ-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 23066856 351414981 /nfs/dbraw/zinc/41/49/81/351414981.db2.gz HYKPGDCXQSRTAJ-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 23070877 351415029 /nfs/dbraw/zinc/41/50/29/351415029.db2.gz DCWRTTFRMPBTAS-OUAUKWLOSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 23070877 351415030 /nfs/dbraw/zinc/41/50/30/351415030.db2.gz DCWRTTFRMPBTAS-OUAUKWLOSA-N 2 2 182.311 1.741 10 0 ADAELP c1[nH]cc(C[C@H]2CCCC[NH2+]2)[nH+]1 27629150 351420353 /nfs/dbraw/zinc/42/03/53/351420353.db2.gz DLZVJIHUEYGTJF-MRVPVSSYSA-N 2 2 165.240 1.094 10 0 ADAELP c1[nH]c(C[C@H]2CCCC[NH2+]2)c[nH+]1 27629150 351420354 /nfs/dbraw/zinc/42/03/54/351420354.db2.gz DLZVJIHUEYGTJF-MRVPVSSYSA-N 2 2 165.240 1.094 10 0 ADAELP c1coc(C[NH2+]CCc2c[nH]c[nH+]2)c1 29409453 351422606 /nfs/dbraw/zinc/42/26/06/351422606.db2.gz JGUMYETWJDLUNU-UHFFFAOYSA-N 2 2 191.234 1.335 10 0 ADAELP c1coc(C[NH2+]CCc2c[nH+]c[nH]2)c1 29409453 351422609 /nfs/dbraw/zinc/42/26/09/351422609.db2.gz JGUMYETWJDLUNU-UHFFFAOYSA-N 2 2 191.234 1.335 10 0 ADAELP C[C@@H]1CC(C)(C)[NH2+]C(C)(C)[NH2+]1 34317631 351437838 /nfs/dbraw/zinc/43/78/38/351437838.db2.gz QSSWKPVVDJURMQ-SSDOTTSWSA-N 2 2 156.273 1.473 10 0 ADAELP c1coc(C[N@@H+]2CCC[NH2+]CC2)c1 34962249 351446672 /nfs/dbraw/zinc/44/66/72/351446672.db2.gz AMAJUQDRXMYNEG-UHFFFAOYSA-N 2 2 180.251 1.075 10 0 ADAELP c1coc(C[N@H+]2CCC[NH2+]CC2)c1 34962249 351446675 /nfs/dbraw/zinc/44/66/75/351446675.db2.gz AMAJUQDRXMYNEG-UHFFFAOYSA-N 2 2 180.251 1.075 10 0 ADAELP CCOc1ccccc1[C@H]([NH3+])C[NH3+] 35677092 351452964 /nfs/dbraw/zinc/45/29/64/351452964.db2.gz UPBJSRQSUZWYSU-SECBINFHSA-N 2 2 180.251 1.044 10 0 ADAELP CCOc1ccccc1[C@@H]([NH3+])C[NH3+] 35677093 351453440 /nfs/dbraw/zinc/45/34/40/351453440.db2.gz UPBJSRQSUZWYSU-VIFPVBQESA-N 2 2 180.251 1.044 10 0 ADAELP C[C@@H](c1ccco1)[N@@H+]1CC[C@H]([NH3+])C1 35739393 351453515 /nfs/dbraw/zinc/45/35/15/351453515.db2.gz LVWBBENZTBLSGY-IUCAKERBSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@@H](c1ccco1)[N@H+]1CC[C@H]([NH3+])C1 35739393 351453519 /nfs/dbraw/zinc/45/35/19/351453519.db2.gz LVWBBENZTBLSGY-IUCAKERBSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])[C@H](n2cc[nH+]c2)C1 36874722 351458463 /nfs/dbraw/zinc/45/84/63/351458463.db2.gz YPJBYCVFRPXYHY-KXUCPTDWSA-N 2 2 179.267 1.572 10 0 ADAELP C[C@@H]1CC[C@@H](C[NH3+])[C@H](n2cc[nH+]c2)C1 37159914 351463428 /nfs/dbraw/zinc/46/34/28/351463428.db2.gz DMNJXGUXORFRGX-OUAUKWLOSA-N 2 2 193.294 1.819 10 0 ADAELP C[C@@H]1CC[C@H](C[NH3+])[C@H](n2cc[nH+]c2)C1 37159910 351463648 /nfs/dbraw/zinc/46/36/48/351463648.db2.gz DMNJXGUXORFRGX-GMTAPVOTSA-N 2 2 193.294 1.819 10 0 ADAELP C[C@@H]1CCC[N@H+](C[C@](C)([NH3+])C2CC2)C1 37479144 351468995 /nfs/dbraw/zinc/46/89/95/351468995.db2.gz DWQUPXYZHUUABC-PWSUYJOCSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCC[N@@H+](C[C@](C)([NH3+])C2CC2)C1 37479144 351468997 /nfs/dbraw/zinc/46/89/97/351468997.db2.gz DWQUPXYZHUUABC-PWSUYJOCSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@@H]1CCCC[N@@H+]1C[C@](C)([NH3+])C1CC1 37479133 351469114 /nfs/dbraw/zinc/46/91/14/351469114.db2.gz LOIRGQGHAXGVGH-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCCC[N@H+]1C[C@](C)([NH3+])C1CC1 37479133 351469117 /nfs/dbraw/zinc/46/91/17/351469117.db2.gz LOIRGQGHAXGVGH-PWSUYJOCSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCC[N@H+](CC2([NH3+])CCCC2)C1 37479567 351469215 /nfs/dbraw/zinc/46/92/15/351469215.db2.gz FGHCKEJWXARWRM-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC2([NH3+])CCCC2)C1 37479567 351469217 /nfs/dbraw/zinc/46/92/17/351469217.db2.gz FGHCKEJWXARWRM-LLVKDONJSA-N 2 2 196.338 1.990 10 0 ADAELP C[C@@H](c1cccs1)[N@@H+]1CC[C@H]([NH3+])C1 37483665 351470163 /nfs/dbraw/zinc/47/01/63/351470163.db2.gz AUIPUHZQNODGTN-IUCAKERBSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@@H](c1cccs1)[N@H+]1CC[C@H]([NH3+])C1 37483665 351470166 /nfs/dbraw/zinc/47/01/66/351470166.db2.gz AUIPUHZQNODGTN-IUCAKERBSA-N 2 2 196.319 1.842 10 0 ADAELP CCOc1cccc([C@@H]([NH3+])C[NH3+])c1 37679113 351471204 /nfs/dbraw/zinc/47/12/04/351471204.db2.gz NLWZZCMFOKAQFG-JTQLQIEISA-N 2 2 180.251 1.044 10 0 ADAELP CCOc1cccc([C@H]([NH3+])C[NH3+])c1 37679111 351471320 /nfs/dbraw/zinc/47/13/20/351471320.db2.gz NLWZZCMFOKAQFG-SNVBAGLBSA-N 2 2 180.251 1.044 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 37910647 351476018 /nfs/dbraw/zinc/47/60/18/351476018.db2.gz OPAZRKVSYZFIRL-KXUCPTDWSA-N 2 2 168.284 1.351 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 37910647 351476021 /nfs/dbraw/zinc/47/60/21/351476021.db2.gz OPAZRKVSYZFIRL-KXUCPTDWSA-N 2 2 168.284 1.351 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 37910577 351476040 /nfs/dbraw/zinc/47/60/40/351476040.db2.gz UKKNHMIJOZZAGT-OUAUKWLOSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 37910577 351476043 /nfs/dbraw/zinc/47/60/43/351476043.db2.gz UKKNHMIJOZZAGT-OUAUKWLOSA-N 2 2 182.311 1.741 10 0 ADAELP CC[C@@H](C)[C@H](C)[N@@H+]1CCC[NH2+]CC1 38087080 351478794 /nfs/dbraw/zinc/47/87/94/351478794.db2.gz SXNHNGWNFINEMY-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)[C@H](C)[N@H+]1CCC[NH2+]CC1 38087080 351478798 /nfs/dbraw/zinc/47/87/98/351478798.db2.gz SXNHNGWNFINEMY-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1CCC[C@@H]([N@@H+]2CCC[NH2+]CC2)C1 38086872 351478819 /nfs/dbraw/zinc/47/88/19/351478819.db2.gz SFTOENHSSQNJSH-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[C@@H]([N@H+]2CCC[NH2+]CC2)C1 38086872 351478826 /nfs/dbraw/zinc/47/88/26/351478826.db2.gz SFTOENHSSQNJSH-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H](c1ccco1)[N@@H+]1CCC[NH2+]CC1 38086969 351478916 /nfs/dbraw/zinc/47/89/16/351478916.db2.gz ZWCNIEPNJUMSRT-JTQLQIEISA-N 2 2 194.278 1.636 10 0 ADAELP C[C@@H](c1ccco1)[N@H+]1CCC[NH2+]CC1 38086969 351478922 /nfs/dbraw/zinc/47/89/22/351478922.db2.gz ZWCNIEPNJUMSRT-JTQLQIEISA-N 2 2 194.278 1.636 10 0 ADAELP CC(C)C[C@@H](C)[N@@H+]1CCC[NH2+]CC1 38086946 351479005 /nfs/dbraw/zinc/47/90/05/351479005.db2.gz BXFIBRMIIGPNHZ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[C@@H](C)[N@H+]1CCC[NH2+]CC1 38086946 351479011 /nfs/dbraw/zinc/47/90/11/351479011.db2.gz BXFIBRMIIGPNHZ-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[C@H](C)[N@@H+]1CCC[NH2+]CC1 38086947 351479160 /nfs/dbraw/zinc/47/91/60/351479160.db2.gz BXFIBRMIIGPNHZ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[C@H](C)[N@H+]1CCC[NH2+]CC1 38086947 351479167 /nfs/dbraw/zinc/47/91/67/351479167.db2.gz BXFIBRMIIGPNHZ-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)[C@@H](C)[N@@H+]1CCC[NH2+]CC1 38087078 351479276 /nfs/dbraw/zinc/47/92/76/351479276.db2.gz SXNHNGWNFINEMY-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)[C@@H](C)[N@H+]1CCC[NH2+]CC1 38087078 351479279 /nfs/dbraw/zinc/47/92/79/351479279.db2.gz SXNHNGWNFINEMY-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1CCC[C@H]([N@@H+]2CCC[NH2+]CC2)C1 38086870 351479321 /nfs/dbraw/zinc/47/93/21/351479321.db2.gz SFTOENHSSQNJSH-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCC[C@H]([N@H+]2CCC[NH2+]CC2)C1 38086870 351479326 /nfs/dbraw/zinc/47/93/26/351479326.db2.gz SFTOENHSSQNJSH-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 38086862 351479386 /nfs/dbraw/zinc/47/93/86/351479386.db2.gz IQUUTTQTQFYOLP-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1CCCC[C@@H]1[N@H+]1CCC[NH2+]CC1 38086862 351479391 /nfs/dbraw/zinc/47/93/91/351479391.db2.gz IQUUTTQTQFYOLP-NEPJUHHUSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](C(C)C)[N@@H+]1CCC[NH2+]CC1 38087083 351479543 /nfs/dbraw/zinc/47/95/43/351479543.db2.gz VYWUVBCFLZELQI-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C(C)C)[N@H+]1CCC[NH2+]CC1 38087083 351479546 /nfs/dbraw/zinc/47/95/46/351479546.db2.gz VYWUVBCFLZELQI-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H]1c2cccn2CC[N@H+]1CCC[NH3+] 40175401 351505442 /nfs/dbraw/zinc/50/54/42/351505442.db2.gz FKLNDQCWSSQPCB-SNVBAGLBSA-N 2 2 193.294 1.214 10 0 ADAELP C[C@@H]1c2cccn2CC[N@@H+]1CCC[NH3+] 40175401 351505443 /nfs/dbraw/zinc/50/54/43/351505443.db2.gz FKLNDQCWSSQPCB-SNVBAGLBSA-N 2 2 193.294 1.214 10 0 ADAELP CC(C)C[NH2+][C@H]1CCC[N@H+](C)C1 40671774 351509183 /nfs/dbraw/zinc/50/91/83/351509183.db2.gz PODZQHRZARQUJS-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[NH2+][C@H]1CCC[N@@H+](C)C1 40671774 351509188 /nfs/dbraw/zinc/50/91/88/351509188.db2.gz PODZQHRZARQUJS-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCC[N@H+](C)C1 40671773 351509205 /nfs/dbraw/zinc/50/92/05/351509205.db2.gz PODZQHRZARQUJS-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 40671773 351509207 /nfs/dbraw/zinc/50/92/07/351509207.db2.gz PODZQHRZARQUJS-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccco2)C1 40717622 351510261 /nfs/dbraw/zinc/51/02/61/351510261.db2.gz HLLDGLAWIOEWGR-ZJUUUORDSA-N 2 2 194.278 1.621 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccco2)C1 40717622 351510263 /nfs/dbraw/zinc/51/02/63/351510263.db2.gz HLLDGLAWIOEWGR-ZJUUUORDSA-N 2 2 194.278 1.621 10 0 ADAELP CC(C)CC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 40740144 351510485 /nfs/dbraw/zinc/51/04/85/351510485.db2.gz YDFSJHFADNGNPQ-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 40740144 351510490 /nfs/dbraw/zinc/51/04/90/351510490.db2.gz YDFSJHFADNGNPQ-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 40740148 351510547 /nfs/dbraw/zinc/51/05/47/351510547.db2.gz YDFSJHFADNGNPQ-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@H+]1C[C@H]([NH3+])CC[C@H]1C 40740148 351510549 /nfs/dbraw/zinc/51/05/49/351510549.db2.gz YDFSJHFADNGNPQ-GHMZBOCLSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]2)C1 40725228 351510636 /nfs/dbraw/zinc/51/06/36/351510636.db2.gz DCOIBVYGZIUIFT-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]2)C1 40725228 351510640 /nfs/dbraw/zinc/51/06/40/351510640.db2.gz DCOIBVYGZIUIFT-ZJUUUORDSA-N 2 2 168.284 1.080 10 0 ADAELP CC(C)CC[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 40740150 351510685 /nfs/dbraw/zinc/51/06/85/351510685.db2.gz YDFSJHFADNGNPQ-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 40740150 351510688 /nfs/dbraw/zinc/51/06/88/351510688.db2.gz YDFSJHFADNGNPQ-WDEREUQCSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 40740146 351510755 /nfs/dbraw/zinc/51/07/55/351510755.db2.gz YDFSJHFADNGNPQ-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)CC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 40740146 351510757 /nfs/dbraw/zinc/51/07/57/351510757.db2.gz YDFSJHFADNGNPQ-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)=CC[N@H+]1CCC[C@@H]([NH3+])C1 41029166 351512782 /nfs/dbraw/zinc/51/27/82/351512782.db2.gz RQEBVIZFAJFVFC-SNVBAGLBSA-N 2 2 168.284 1.376 10 0 ADAELP C[C@@H]1CCC[C@@H](C)[NH+]1CC(C)(C)[NH3+] 40925819 351512744 /nfs/dbraw/zinc/51/27/44/351512744.db2.gz TZRHPAKIJIXFMV-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP CC(C)=CC[N@@H+]1CCC[C@@H]([NH3+])C1 41029166 351512778 /nfs/dbraw/zinc/51/27/78/351512778.db2.gz RQEBVIZFAJFVFC-SNVBAGLBSA-N 2 2 168.284 1.376 10 0 ADAELP CC(C)C[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 41027781 351513299 /nfs/dbraw/zinc/51/32/99/351513299.db2.gz YJNQIBKXDSBBNL-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 41027781 351513302 /nfs/dbraw/zinc/51/33/02/351513302.db2.gz YJNQIBKXDSBBNL-QWRGUYRKSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)=CC[N@@H+]1CCC[C@H]([NH3+])C1 41029165 351513410 /nfs/dbraw/zinc/51/34/10/351513410.db2.gz RQEBVIZFAJFVFC-JTQLQIEISA-N 2 2 168.284 1.376 10 0 ADAELP CC(C)=CC[N@H+]1CCC[C@H]([NH3+])C1 41029165 351513413 /nfs/dbraw/zinc/51/34/13/351513413.db2.gz RQEBVIZFAJFVFC-JTQLQIEISA-N 2 2 168.284 1.376 10 0 ADAELP C[C@@H](c1ccco1)[N@@H+]1CCC[C@H]([NH3+])C1 41027827 351513478 /nfs/dbraw/zinc/51/34/78/351513478.db2.gz MPPFWTRDJCNLMV-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccco1)[N@H+]1CCC[C@H]([NH3+])C1 41027827 351513480 /nfs/dbraw/zinc/51/34/80/351513480.db2.gz MPPFWTRDJCNLMV-UWVGGRQHSA-N 2 2 194.278 1.764 10 0 ADAELP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 41027780 351513638 /nfs/dbraw/zinc/51/36/38/351513638.db2.gz YJNQIBKXDSBBNL-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 41027780 351513641 /nfs/dbraw/zinc/51/36/41/351513641.db2.gz YJNQIBKXDSBBNL-MNOVXSKESA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)C1CCCC1 41053795 351515413 /nfs/dbraw/zinc/51/54/13/351515413.db2.gz OVSSOWJSHQUPLM-BDAKNGLRSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C1CCCC1 41053795 351515420 /nfs/dbraw/zinc/51/54/20/351515420.db2.gz OVSSOWJSHQUPLM-BDAKNGLRSA-N 2 2 170.300 1.597 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@@H](C)C1 41053726 351515585 /nfs/dbraw/zinc/51/55/85/351515585.db2.gz ZNVGBJFCZRQJPN-BBBLOLIVSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@@H](C)C1 41053726 351515590 /nfs/dbraw/zinc/51/55/90/351515590.db2.gz ZNVGBJFCZRQJPN-BBBLOLIVSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CCCCCCC1 41053775 351515830 /nfs/dbraw/zinc/51/58/30/351515830.db2.gz QNZYSOWEFWTQRF-MNOVXSKESA-N 2 2 184.327 1.988 10 0 ADAELP c1cc(NCCn2cc[nH+]c2)cc[nH+]1 41051001 351515898 /nfs/dbraw/zinc/51/58/98/351515898.db2.gz XZKSTIMHOGPJIW-UHFFFAOYSA-N 2 2 188.234 1.390 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)C1CCCCC1 41053747 351516312 /nfs/dbraw/zinc/51/63/12/351516312.db2.gz JFSXZEQLXPHBDX-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C1CCCCC1 41053747 351516314 /nfs/dbraw/zinc/51/63/14/351516314.db2.gz JFSXZEQLXPHBDX-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CCCCCC1 41053731 351516373 /nfs/dbraw/zinc/51/63/73/351516373.db2.gz MFVHRHIFYRTFKC-ZJUUUORDSA-N 2 2 170.300 1.598 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 41664122 351518902 /nfs/dbraw/zinc/51/89/02/351518902.db2.gz KRHXXNOEGGWOAM-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2[NH3+])C1 41664122 351518904 /nfs/dbraw/zinc/51/89/04/351518904.db2.gz KRHXXNOEGGWOAM-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP c1coc(CC[N@@H+]2CCC[NH2+]CC2)c1 41206823 351519006 /nfs/dbraw/zinc/51/90/06/351519006.db2.gz QHAHKVRSKUOGMQ-UHFFFAOYSA-N 2 2 194.278 1.117 10 0 ADAELP c1coc(CC[N@H+]2CCC[NH2+]CC2)c1 41206823 351519009 /nfs/dbraw/zinc/51/90/09/351519009.db2.gz QHAHKVRSKUOGMQ-UHFFFAOYSA-N 2 2 194.278 1.117 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 42372045 351521471 /nfs/dbraw/zinc/52/14/71/351521471.db2.gz LALVMKILLWCYOM-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 42372045 351521474 /nfs/dbraw/zinc/52/14/74/351521474.db2.gz LALVMKILLWCYOM-GRYCIOLGSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545187 351522245 /nfs/dbraw/zinc/52/22/45/351522245.db2.gz RNHMYNDUWFJIGQ-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545187 351522249 /nfs/dbraw/zinc/52/22/49/351522249.db2.gz RNHMYNDUWFJIGQ-GMTAPVOTSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 42545191 351522826 /nfs/dbraw/zinc/52/28/26/351522826.db2.gz RNHMYNDUWFJIGQ-OUAUKWLOSA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 42545191 351522830 /nfs/dbraw/zinc/52/28/30/351522830.db2.gz RNHMYNDUWFJIGQ-OUAUKWLOSA-N 2 2 184.327 1.715 10 0 ADAELP c1cn(C[C@@H]2CCCC[NH2+]2)c[nH+]1 43494217 351528667 /nfs/dbraw/zinc/52/86/67/351528667.db2.gz QKTCPYQWRLTVOO-VIFPVBQESA-N 2 2 165.240 1.025 10 0 ADAELP c1cn(C[C@H]2CCCC[NH2+]2)c[nH+]1 43494220 351528869 /nfs/dbraw/zinc/52/88/69/351528869.db2.gz QKTCPYQWRLTVOO-SECBINFHSA-N 2 2 165.240 1.025 10 0 ADAELP CCSc1ccc([C@H]([NH3+])C[NH3+])cc1 44472731 351538611 /nfs/dbraw/zinc/53/86/11/351538611.db2.gz VVVSBJDIVTYRTP-SNVBAGLBSA-N 2 2 196.319 1.757 10 0 ADAELP CCSc1ccc([C@@H]([NH3+])C[NH3+])cc1 44472734 351538897 /nfs/dbraw/zinc/53/88/97/351538897.db2.gz VVVSBJDIVTYRTP-JTQLQIEISA-N 2 2 196.319 1.757 10 0 ADAELP C[C@@H](c1ccsc1)[N@@H+]1CC[C@H]([NH3+])C1 50345214 351553321 /nfs/dbraw/zinc/55/33/21/351553321.db2.gz AIJWFODFCBRWCC-WPRPVWTQSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@@H](c1ccsc1)[N@H+]1CC[C@H]([NH3+])C1 50345214 351553323 /nfs/dbraw/zinc/55/33/23/351553323.db2.gz AIJWFODFCBRWCC-WPRPVWTQSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1Cc2ccccc2C1 50910813 351555180 /nfs/dbraw/zinc/55/51/80/351555180.db2.gz UPEPMMUMXQYDIW-ZJUUUORDSA-N 2 2 190.290 1.738 10 0 ADAELP C[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])[C@@H]1C 50566841 351555652 /nfs/dbraw/zinc/55/56/52/351555652.db2.gz WLOWKUVEJXYGPJ-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])[C@@H]1C 50566841 351555656 /nfs/dbraw/zinc/55/56/56/351555656.db2.gz WLOWKUVEJXYGPJ-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H](C)C1 51746783 351559357 /nfs/dbraw/zinc/55/93/57/351559357.db2.gz OIPXGATZEWTWCX-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H](C)C1 51746783 351559360 /nfs/dbraw/zinc/55/93/60/351559360.db2.gz OIPXGATZEWTWCX-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP c1cc(OC[C@H]2CCCC[NH2+]2)cc[nH+]1 51883272 351559827 /nfs/dbraw/zinc/55/98/27/351559827.db2.gz DGIKRWHSRWACIT-SNVBAGLBSA-N 2 2 192.262 1.603 10 0 ADAELP c1cc(OC[C@@H]2CCCC[NH2+]2)cc[nH+]1 51883271 351559848 /nfs/dbraw/zinc/55/98/48/351559848.db2.gz DGIKRWHSRWACIT-JTQLQIEISA-N 2 2 192.262 1.603 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH2+][C@H](C)C1 62566617 351587306 /nfs/dbraw/zinc/58/73/06/351587306.db2.gz WMAAOASPXUJKSJ-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+]1CC[NH2+]CC[C@@H]1C 62566648 351587498 /nfs/dbraw/zinc/58/74/98/351587498.db2.gz OIQOMMDJXBURGW-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP C[C@@H]1CCC[N@@H+]([C@@H]2CCCC[NH2+]C2)C1 54134842 351571557 /nfs/dbraw/zinc/57/15/57/351571557.db2.gz LHABYFXLARSQEF-VXGBXAGGSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H](C)[N@H+](C)[C@@H]1CCCC[NH2+]C1 54134990 351571573 /nfs/dbraw/zinc/57/15/73/351571573.db2.gz SKFRCEDTPWDOSM-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54134990 351571576 /nfs/dbraw/zinc/57/15/76/351571576.db2.gz SKFRCEDTPWDOSM-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)C[N@@H+]1CC[NH2+][C@@H](C)CC1 54490901 351574201 /nfs/dbraw/zinc/57/42/01/351574201.db2.gz TXSKPLAIVIJRIZ-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[N@H+]1CC[NH2+][C@@H](C)CC1 54490901 351574206 /nfs/dbraw/zinc/57/42/06/351574206.db2.gz TXSKPLAIVIJRIZ-MNOVXSKESA-N 2 2 184.327 1.716 10 0 ADAELP c1[nH]c(C[NH2+]C2CCC2)c[nH+]1 54765338 351575081 /nfs/dbraw/zinc/57/50/81/351575081.db2.gz OIGPUPQQLOCMFF-UHFFFAOYSA-N 2 2 151.213 1.052 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[NH+]1CCC(C)(C)CC1 61819475 351584776 /nfs/dbraw/zinc/58/47/76/351584776.db2.gz JILJVENCLCLHME-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+]C[C@H]1C 62566585 351587185 /nfs/dbraw/zinc/58/71/85/351587185.db2.gz UHJSHSOZFBGLTL-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+]C[C@H]1C 62566585 351587187 /nfs/dbraw/zinc/58/71/87/351587187.db2.gz UHJSHSOZFBGLTL-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH2+]C[C@@H]1C 62566593 351587287 /nfs/dbraw/zinc/58/72/87/351587287.db2.gz QPNHEXXKQKXMJZ-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH2+]C[C@@H]1C 62566593 351587289 /nfs/dbraw/zinc/58/72/89/351587289.db2.gz QPNHEXXKQKXMJZ-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 62566617 351587303 /nfs/dbraw/zinc/58/73/03/351587303.db2.gz WMAAOASPXUJKSJ-NXEZZACHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[N@@H+]1CCC[NH2+]C(C)(C)C1 62567181 351587329 /nfs/dbraw/zinc/58/73/29/351587329.db2.gz VIDYWYCTCYNLLZ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H](C)[N@H+]1CCC[NH2+]C(C)(C)C1 62567181 351587331 /nfs/dbraw/zinc/58/73/31/351587331.db2.gz VIDYWYCTCYNLLZ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@@H+]1C1CCCC1 62566928 351587363 /nfs/dbraw/zinc/58/73/63/351587363.db2.gz SJLUIQLWVXLXTB-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[NH2+]CC[N@H+]1C1CCCC1 62566928 351587367 /nfs/dbraw/zinc/58/73/67/351587367.db2.gz SJLUIQLWVXLXTB-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+]CC[C@H]1C 62566638 351587418 /nfs/dbraw/zinc/58/74/18/351587418.db2.gz KJYCYYPYWKSUOE-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CC[NH2+]CC[C@H]1C 62566638 351587420 /nfs/dbraw/zinc/58/74/20/351587420.db2.gz KJYCYYPYWKSUOE-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+][C@H](C)C1 62566609 351587435 /nfs/dbraw/zinc/58/74/35/351587435.db2.gz FRRKFOCLNFSTOT-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+][C@H](C)C1 62566609 351587439 /nfs/dbraw/zinc/58/74/39/351587439.db2.gz FRRKFOCLNFSTOT-SNVBAGLBSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC[NH2+]CC[C@@H]1C 62566648 351587496 /nfs/dbraw/zinc/58/74/96/351587496.db2.gz OIQOMMDJXBURGW-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+]C[C@@H]1C 62566586 351587527 /nfs/dbraw/zinc/58/75/27/351587527.db2.gz UHJSHSOZFBGLTL-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+]C[C@@H]1C 62566586 351587532 /nfs/dbraw/zinc/58/75/32/351587532.db2.gz UHJSHSOZFBGLTL-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@@H+]1CC[NH2+]CC[C@@H]1C 62566639 351587616 /nfs/dbraw/zinc/58/76/16/351587616.db2.gz KJYCYYPYWKSUOE-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CC[NH2+]CC[C@@H]1C 62566639 351587619 /nfs/dbraw/zinc/58/76/19/351587619.db2.gz KJYCYYPYWKSUOE-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]1C[NH2+]CCC[N@@H+]1C1CCCC1 62566921 351587633 /nfs/dbraw/zinc/58/76/33/351587633.db2.gz ZBJDIQSHADRVPS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1C[NH2+]CCC[N@H+]1C1CCCC1 62566921 351587639 /nfs/dbraw/zinc/58/76/39/351587639.db2.gz ZBJDIQSHADRVPS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+]C(C)(C)C1 62567178 351587707 /nfs/dbraw/zinc/58/77/07/351587707.db2.gz NDAPQCMDSVRMFU-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+]C(C)(C)C1 62567178 351587713 /nfs/dbraw/zinc/58/77/13/351587713.db2.gz NDAPQCMDSVRMFU-UHFFFAOYSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@@H+]1CCC[NH2+][C@@H](C)C1 62566611 351587732 /nfs/dbraw/zinc/58/77/32/351587732.db2.gz FRRKFOCLNFSTOT-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP CC(C)C[N@H+]1CCC[NH2+][C@@H](C)C1 62566611 351587735 /nfs/dbraw/zinc/58/77/35/351587735.db2.gz FRRKFOCLNFSTOT-JTQLQIEISA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C2CCCC2)CCC[NH2+]1 62566924 351587746 /nfs/dbraw/zinc/58/77/46/351587746.db2.gz PVHNCQDBFHNKSS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1C[N@H+](C2CCCC2)CCC[NH2+]1 62566924 351587750 /nfs/dbraw/zinc/58/77/50/351587750.db2.gz PVHNCQDBFHNKSS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP c1c[nH+]c(CNc2cc[nH+]cc2)[nH]1 70646542 351605025 /nfs/dbraw/zinc/60/50/25/351605025.db2.gz SVVKZNQDSZTCGC-UHFFFAOYSA-N 2 2 174.207 1.417 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH2+]CC[C@@H]1C 71499596 351611707 /nfs/dbraw/zinc/61/17/07/351611707.db2.gz NTGZQIZAHYWICW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@H+]1CC[NH2+]CC[C@@H]1C 71499596 351611711 /nfs/dbraw/zinc/61/17/11/351611711.db2.gz NTGZQIZAHYWICW-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH2+]CC[C@H]1C 71499594 351612070 /nfs/dbraw/zinc/61/20/70/351612070.db2.gz NTGZQIZAHYWICW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@H+]1CC[NH2+]CC[C@H]1C 71499594 351612071 /nfs/dbraw/zinc/61/20/71/351612071.db2.gz NTGZQIZAHYWICW-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[NH2+]CC1 76581740 351624901 /nfs/dbraw/zinc/62/49/01/351624901.db2.gz INXHJPKVQPQSJN-JTQLQIEISA-N 2 2 193.294 1.371 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@H+]1CCC[NH2+]CC1 76581740 351624905 /nfs/dbraw/zinc/62/49/05/351624905.db2.gz INXHJPKVQPQSJN-JTQLQIEISA-N 2 2 193.294 1.371 10 0 ADAELP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[NH3+] 82791050 351641692 /nfs/dbraw/zinc/64/16/92/351641692.db2.gz CQXGKEUCRVMOMW-SNVBAGLBSA-N 2 2 190.290 1.392 10 0 ADAELP C[C@@H]1Cc2ccccc2C[N@H+]1CC[NH3+] 82791050 351641695 /nfs/dbraw/zinc/64/16/95/351641695.db2.gz CQXGKEUCRVMOMW-SNVBAGLBSA-N 2 2 190.290 1.392 10 0 ADAELP CC(C)([NH3+])c1ccn2cc[nH+]c2c1 82868591 351642720 /nfs/dbraw/zinc/64/27/20/351642720.db2.gz MJNAKFRUURVXNA-UHFFFAOYSA-N 2 2 175.235 1.528 10 0 ADAELP CC(C)([NH3+])c1cccc2[nH+]ccn12 82873915 351642753 /nfs/dbraw/zinc/64/27/53/351642753.db2.gz BWKFFLFKAFXDSB-UHFFFAOYSA-N 2 2 175.235 1.528 10 0 ADAELP C[C@@H]1CN(c2cccc[nH+]2)CC[C@@H]1[NH3+] 86887168 351657716 /nfs/dbraw/zinc/65/77/16/351657716.db2.gz KMAUHLTXMAICDY-ZJUUUORDSA-N 2 2 191.278 1.255 10 0 ADAELP C[C@H]1CN(c2cccc[nH+]2)CC[C@@H]1[NH3+] 86887169 351658010 /nfs/dbraw/zinc/65/80/10/351658010.db2.gz KMAUHLTXMAICDY-UWVGGRQHSA-N 2 2 191.278 1.255 10 0 ADAELP C[C@@H](c1cccs1)[N@@H+]1CC[C@@H]([NH3+])C1 95068264 351665950 /nfs/dbraw/zinc/66/59/50/351665950.db2.gz AUIPUHZQNODGTN-DTWKUNHWSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@@H](c1cccs1)[N@H+]1CC[C@@H]([NH3+])C1 95068264 351665955 /nfs/dbraw/zinc/66/59/55/351665955.db2.gz AUIPUHZQNODGTN-DTWKUNHWSA-N 2 2 196.319 1.842 10 0 ADAELP C[C@@H](c1ccco1)[N@@H+]1CC[C@@H]([NH3+])C1 95068262 351665996 /nfs/dbraw/zinc/66/59/96/351665996.db2.gz LVWBBENZTBLSGY-DTWKUNHWSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@@H](c1ccco1)[N@H+]1CC[C@@H]([NH3+])C1 95068262 351665999 /nfs/dbraw/zinc/66/59/99/351665999.db2.gz LVWBBENZTBLSGY-DTWKUNHWSA-N 2 2 180.251 1.374 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H]1C[NH3+] 95068284 351666025 /nfs/dbraw/zinc/66/60/25/351666025.db2.gz QWXRUWKDJAGSJE-VHSXEESVSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@H+]1CCC[C@@H]1C[NH3+] 95068284 351666026 /nfs/dbraw/zinc/66/60/26/351666026.db2.gz QWXRUWKDJAGSJE-VHSXEESVSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H]1C[NH3+] 95068286 351666237 /nfs/dbraw/zinc/66/62/37/351666237.db2.gz ULBXFDWVQCMLHL-VHSXEESVSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccco1)[N@H+]1CCC[C@@H]1C[NH3+] 95068286 351666239 /nfs/dbraw/zinc/66/62/39/351666239.db2.gz ULBXFDWVQCMLHL-VHSXEESVSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CC[C@@H]([NH3+])C1 95068260 351666259 /nfs/dbraw/zinc/66/62/59/351666259.db2.gz FHHATRIPXJVREZ-DTWKUNHWSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@H+]1CC[C@@H]([NH3+])C1 95068260 351666263 /nfs/dbraw/zinc/66/62/63/351666263.db2.gz FHHATRIPXJVREZ-DTWKUNHWSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CC[C@H]([NH3+])C1 95068272 351666373 /nfs/dbraw/zinc/66/63/73/351666373.db2.gz FHHATRIPXJVREZ-IUCAKERBSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@H+]1CC[C@H]([NH3+])C1 95068272 351666377 /nfs/dbraw/zinc/66/63/77/351666377.db2.gz FHHATRIPXJVREZ-IUCAKERBSA-N 2 2 179.267 1.109 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CCC[C@@H]([NH3+])C1 100256871 351693529 /nfs/dbraw/zinc/69/35/29/351693529.db2.gz NSIODMHKVQUXIN-VHSXEESVSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@@H](c1ccc[nH]1)[N@H+]1CCC[C@@H]([NH3+])C1 100256871 351693532 /nfs/dbraw/zinc/69/35/32/351693532.db2.gz NSIODMHKVQUXIN-VHSXEESVSA-N 2 2 193.294 1.499 10 0 ADAELP C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H]([NH3+])C1 100256879 351693562 /nfs/dbraw/zinc/69/35/62/351693562.db2.gz MPPFWTRDJCNLMV-VHSXEESVSA-N 2 2 194.278 1.764 10 0 ADAELP C[C@@H](c1ccco1)[N@H+]1CCC[C@@H]([NH3+])C1 100256879 351693564 /nfs/dbraw/zinc/69/35/64/351693564.db2.gz MPPFWTRDJCNLMV-VHSXEESVSA-N 2 2 194.278 1.764 10 0 ADAELP Cc1cc[nH+]cc1C[C@H]1CC[NH2+]C1 135550479 351740574 /nfs/dbraw/zinc/74/05/74/351740574.db2.gz VBWIFBOZAKPVCE-SNVBAGLBSA-N 2 2 176.263 1.542 10 0 ADAELP Cc1cc[nH+]cc1C[C@@H]1CC[NH2+]C1 135550460 351740739 /nfs/dbraw/zinc/74/07/39/351740739.db2.gz VBWIFBOZAKPVCE-JTQLQIEISA-N 2 2 176.263 1.542 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CC2CC2)C[N@@H+]1C 149522835 351748901 /nfs/dbraw/zinc/74/89/01/351748901.db2.gz PBWREXKLAFCZOU-WPRPVWTQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CC2CC2)C[N@H+]1C 149522835 351748905 /nfs/dbraw/zinc/74/89/05/351748905.db2.gz PBWREXKLAFCZOU-WPRPVWTQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC2CC2)C[N@@H+]1C 149522624 351748929 /nfs/dbraw/zinc/74/89/29/351748929.db2.gz PBWREXKLAFCZOU-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC2CC2)C[N@H+]1C 149522624 351748931 /nfs/dbraw/zinc/74/89/31/351748931.db2.gz PBWREXKLAFCZOU-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CC2CC2)C[N@@H+]1C 149523230 351749041 /nfs/dbraw/zinc/74/90/41/351749041.db2.gz PBWREXKLAFCZOU-WCBMZHEXSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CC2CC2)C[N@H+]1C 149523230 351749046 /nfs/dbraw/zinc/74/90/46/351749046.db2.gz PBWREXKLAFCZOU-WCBMZHEXSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CC2CC2)C[N@@H+]1C 149523021 351749365 /nfs/dbraw/zinc/74/93/65/351749365.db2.gz PBWREXKLAFCZOU-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CC2CC2)C[N@H+]1C 149523021 351749370 /nfs/dbraw/zinc/74/93/70/351749370.db2.gz PBWREXKLAFCZOU-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CC(C)(C)C1 160566591 351757170 /nfs/dbraw/zinc/75/71/70/351757170.db2.gz NZFDPMQVKUPJHI-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[NH+]1CC(C)(C)C1 160566174 351757229 /nfs/dbraw/zinc/75/72/29/351757229.db2.gz NZFDPMQVKUPJHI-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CC(C)(C)C1 160566443 351757259 /nfs/dbraw/zinc/75/72/59/351757259.db2.gz NZFDPMQVKUPJHI-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CC(C)(C)C1 160566311 351757439 /nfs/dbraw/zinc/75/74/39/351757439.db2.gz NZFDPMQVKUPJHI-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+]CC(F)(F)CNc1cccc[nH+]1 162661251 351761594 /nfs/dbraw/zinc/76/15/94/351761594.db2.gz QTNWZXJOGLIKRG-UHFFFAOYSA-N 2 2 187.193 1.088 10 0 ADAELP C[C@@H]1C[C@H](C[NH3+])CN1c1cccc[nH+]1 216158082 351787592 /nfs/dbraw/zinc/78/75/92/351787592.db2.gz HWXYEACNJNJUAO-NXEZZACHSA-N 2 2 191.278 1.255 10 0 ADAELP C[C@H]1C[C@H](C[NH3+])CN1c1cccc[nH+]1 216158122 351787752 /nfs/dbraw/zinc/78/77/52/351787752.db2.gz HWXYEACNJNJUAO-VHSXEESVSA-N 2 2 191.278 1.255 10 0 ADAELP C[C@@H]1C[C@@H](C[NH3+])CN1c1cccc[nH+]1 216158159 351787772 /nfs/dbraw/zinc/78/77/72/351787772.db2.gz HWXYEACNJNJUAO-ZJUUUORDSA-N 2 2 191.278 1.255 10 0 ADAELP C[C@H]1C[C@@H](C[NH3+])CN1c1cccc[nH+]1 216158202 351787807 /nfs/dbraw/zinc/78/78/07/351787807.db2.gz HWXYEACNJNJUAO-UWVGGRQHSA-N 2 2 191.278 1.255 10 0 ADAELP C[C@H]1C[N@H+](CC(C)(C)[NH3+])CCS1 220370577 351792586 /nfs/dbraw/zinc/79/25/86/351792586.db2.gz MJNHZPILTOTGJM-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CCS1 220370577 351792589 /nfs/dbraw/zinc/79/25/89/351792589.db2.gz MJNHZPILTOTGJM-QMMMGPOBSA-N 2 2 188.340 1.161 10 0 ADAELP Cc1c[nH+]cc(NC2CC[NH2+]CC2)c1 232073424 351813915 /nfs/dbraw/zinc/81/39/15/351813915.db2.gz FOSRVSYJMHWDAP-UHFFFAOYSA-N 2 2 191.278 1.554 10 0 ADAELP Cc1c[nH+]cc(N[C@H](C)C[NH3+])c1 232073934 351813924 /nfs/dbraw/zinc/81/39/24/351813924.db2.gz DRWOHJOOIQXSRH-MRVPVSSYSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1c[nH+]cc(N[C@@H](C)C[NH3+])c1 232073933 351814076 /nfs/dbraw/zinc/81/40/76/351814076.db2.gz DRWOHJOOIQXSRH-QMMMGPOBSA-N 2 2 165.240 1.149 10 0 ADAELP Cc1c[nH+]cc(NC2CC([NH3+])C2)c1 232073511 351814127 /nfs/dbraw/zinc/81/41/27/351814127.db2.gz OTOXEYXBOAMRBG-UHFFFAOYSA-N 2 2 177.251 1.292 10 0 ADAELP Cc1cc(N(C)C)[nH+]c(C)c1C[NH3+] 238308310 351820313 /nfs/dbraw/zinc/82/03/13/351820313.db2.gz FGBKHSSJIYZDFI-UHFFFAOYSA-N 2 2 179.267 1.223 10 0 ADAELP CCCn1c(C)c[nH+]c1C1C[NH2+]C1 257187520 351848932 /nfs/dbraw/zinc/84/89/32/351848932.db2.gz BNVAHYJXCQEJOK-UHFFFAOYSA-N 2 2 179.267 1.288 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2cncs2)C1 257656528 351850102 /nfs/dbraw/zinc/85/01/02/351850102.db2.gz SIMOLLHQRIOALS-VXNVDRBHSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2cncs2)C1 257656528 351850104 /nfs/dbraw/zinc/85/01/04/351850104.db2.gz SIMOLLHQRIOALS-VXNVDRBHSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])c2cncs2)C1 257656402 351850138 /nfs/dbraw/zinc/85/01/38/351850138.db2.gz SIMOLLHQRIOALS-IONNQARKSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2cncs2)C1 257656402 351850139 /nfs/dbraw/zinc/85/01/39/351850139.db2.gz SIMOLLHQRIOALS-IONNQARKSA-N 2 2 197.307 1.095 10 0 ADAELP [NH3+][C@@H](C[NH+]1CCCCCC1)C1CCC1 258153680 351859526 /nfs/dbraw/zinc/85/95/26/351859526.db2.gz HIDBKMBQIAFKPB-LBPRGKRZSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+][C@H](C[NH+]1CCCCCC1)C1CCC1 258153676 351859888 /nfs/dbraw/zinc/85/98/88/351859888.db2.gz HIDBKMBQIAFKPB-GFCCVEGCSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+]Cc1c[nH+]c(C2CCSCC2)[nH]1 258169962 351860393 /nfs/dbraw/zinc/86/03/93/351860393.db2.gz UGIXMCBYWBCAAF-UHFFFAOYSA-N 2 2 197.307 1.479 10 0 ADAELP C[C@@H]([C@H]1CCCC[NH2+]1)[NH+]1CCC1 258537679 351863647 /nfs/dbraw/zinc/86/36/47/351863647.db2.gz OEBZAVLXKTWQME-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]([C@H]1CCCC[NH2+]1)[NH+]1CCC1 258537673 351863686 /nfs/dbraw/zinc/86/36/86/351863686.db2.gz OEBZAVLXKTWQME-NXEZZACHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]([C@@H]1CCCC[NH2+]1)[NH+]1CCC1 258537676 351863878 /nfs/dbraw/zinc/86/38/78/351863878.db2.gz OEBZAVLXKTWQME-UWVGGRQHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]([C@@H]1CCCC[NH2+]1)[NH+]1CCC1 258537680 351863886 /nfs/dbraw/zinc/86/38/86/351863886.db2.gz OEBZAVLXKTWQME-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[NH2+]CCCNc1cccc[nH+]1 258707444 351866182 /nfs/dbraw/zinc/86/61/82/351866182.db2.gz HOWWNVVDPOFQSS-UHFFFAOYSA-N 2 2 165.240 1.103 10 0 ADAELP C[NH2+]CC(C)(C)[NH+]1CCCCCC1 258961404 351868158 /nfs/dbraw/zinc/86/81/58/351868158.db2.gz MPFMAMDTOUYFHU-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP C[N@H+]([C@@H]1CCCC[C@@H]1[NH3+])C(C)(C)C 259228737 351871028 /nfs/dbraw/zinc/87/10/28/351871028.db2.gz XWIYESGDZDKCAG-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@@H+]([C@@H]1CCCC[C@@H]1[NH3+])C(C)(C)C 259228737 351871030 /nfs/dbraw/zinc/87/10/30/351871030.db2.gz XWIYESGDZDKCAG-VHSXEESVSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@H+]([C@H]1CCCC[C@@H]1[NH3+])C(C)(C)C 259228734 351871220 /nfs/dbraw/zinc/87/12/20/351871220.db2.gz XWIYESGDZDKCAG-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@@H+]([C@H]1CCCC[C@@H]1[NH3+])C(C)(C)C 259228734 351871223 /nfs/dbraw/zinc/87/12/23/351871223.db2.gz XWIYESGDZDKCAG-UWVGGRQHSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@H+]([C@H]1CCCC[C@H]1[NH3+])C(C)(C)C 259228741 351871411 /nfs/dbraw/zinc/87/14/11/351871411.db2.gz XWIYESGDZDKCAG-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@@H+]([C@H]1CCCC[C@H]1[NH3+])C(C)(C)C 259228741 351871413 /nfs/dbraw/zinc/87/14/13/351871413.db2.gz XWIYESGDZDKCAG-ZJUUUORDSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@H+]([C@@H]1CCCC[C@H]1[NH3+])C(C)(C)C 259228731 351871454 /nfs/dbraw/zinc/87/14/54/351871454.db2.gz XWIYESGDZDKCAG-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@@H+]([C@@H]1CCCC[C@H]1[NH3+])C(C)(C)C 259228731 351871456 /nfs/dbraw/zinc/87/14/56/351871456.db2.gz XWIYESGDZDKCAG-NXEZZACHSA-N 2 2 184.327 1.987 10 0 ADAELP C[N@H+]([C@H]1CCC[C@H]1[NH3+])C(C)(C)C 259259380 351871891 /nfs/dbraw/zinc/87/18/91/351871891.db2.gz ZEQLXEWBFOBJAF-BDAKNGLRSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@@H+]([C@H]1CCC[C@H]1[NH3+])C(C)(C)C 259259380 351871893 /nfs/dbraw/zinc/87/18/93/351871893.db2.gz ZEQLXEWBFOBJAF-BDAKNGLRSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@H+]([C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C 259259384 351872026 /nfs/dbraw/zinc/87/20/26/351872026.db2.gz ZEQLXEWBFOBJAF-DTWKUNHWSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@@H+]([C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C 259259384 351872027 /nfs/dbraw/zinc/87/20/27/351872027.db2.gz ZEQLXEWBFOBJAF-DTWKUNHWSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@H+]([C@@H]1CCC[C@H]1[NH3+])C(C)(C)C 259259390 351872111 /nfs/dbraw/zinc/87/21/11/351872111.db2.gz ZEQLXEWBFOBJAF-RKDXNWHRSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@@H+]([C@@H]1CCC[C@H]1[NH3+])C(C)(C)C 259259390 351872114 /nfs/dbraw/zinc/87/21/14/351872114.db2.gz ZEQLXEWBFOBJAF-RKDXNWHRSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@H+]([C@H]1CCC[C@@H]1[NH3+])C(C)(C)C 259259386 351872230 /nfs/dbraw/zinc/87/22/30/351872230.db2.gz ZEQLXEWBFOBJAF-IUCAKERBSA-N 2 2 170.300 1.597 10 0 ADAELP C[N@@H+]([C@H]1CCC[C@@H]1[NH3+])C(C)(C)C 259259386 351872231 /nfs/dbraw/zinc/87/22/31/351872231.db2.gz ZEQLXEWBFOBJAF-IUCAKERBSA-N 2 2 170.300 1.597 10 0 ADAELP CC1(c2[nH]c(C[NH3+])c[nH+]2)CCCC1 259609601 351877026 /nfs/dbraw/zinc/87/70/26/351877026.db2.gz DOYUUUDNVWVPFI-UHFFFAOYSA-N 2 2 179.267 1.700 10 0 ADAELP C1CC[C@H](C[N@@H+]2CC[C@@H]3C[C@@H]32)[NH2+]C1 259636998 351877490 /nfs/dbraw/zinc/87/74/90/351877490.db2.gz CLKINDMJGOIAOQ-MXWKQRLJSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC[C@H](C[N@H+]2CC[C@@H]3C[C@@H]32)[NH2+]C1 259636998 351877492 /nfs/dbraw/zinc/87/74/92/351877492.db2.gz CLKINDMJGOIAOQ-MXWKQRLJSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC[C@H](C[N@@H+]2CC[C@H]3C[C@H]32)[NH2+]C1 259636992 351877637 /nfs/dbraw/zinc/87/76/37/351877637.db2.gz CLKINDMJGOIAOQ-HBNTYKKESA-N 2 2 180.295 1.223 10 0 ADAELP C1CC[C@H](C[N@H+]2CC[C@H]3C[C@H]32)[NH2+]C1 259636992 351877638 /nfs/dbraw/zinc/87/76/38/351877638.db2.gz CLKINDMJGOIAOQ-HBNTYKKESA-N 2 2 180.295 1.223 10 0 ADAELP [NH3+]Cc1c[nH+]c([C@H]2CCSC2)[nH]1 259702273 351877965 /nfs/dbraw/zinc/87/79/65/351877965.db2.gz KIRZYTPMVGAFBU-LURJTMIESA-N 2 2 183.280 1.089 10 0 ADAELP [NH3+]Cc1c[nH+]c([C@@H]2CCSC2)[nH]1 259702284 351878004 /nfs/dbraw/zinc/87/80/04/351878004.db2.gz KIRZYTPMVGAFBU-ZCFIWIBFSA-N 2 2 183.280 1.089 10 0 ADAELP [NH3+]C1CC(C[N@@H+]2CCC(F)(F)C2)C1 259696210 351878435 /nfs/dbraw/zinc/87/84/35/351878435.db2.gz ZWUXSTXENXGCOH-UHFFFAOYSA-N 2 2 190.237 1.065 10 0 ADAELP [NH3+]C1CC(C[N@H+]2CCC(F)(F)C2)C1 259696210 351878437 /nfs/dbraw/zinc/87/84/37/351878437.db2.gz ZWUXSTXENXGCOH-UHFFFAOYSA-N 2 2 190.237 1.065 10 0 ADAELP [NH3+]C1(C[NH+]2CCC(F)(F)CC2)CC1 259678214 351878509 /nfs/dbraw/zinc/87/85/09/351878509.db2.gz JAHWGCORFXICEM-UHFFFAOYSA-N 2 2 190.237 1.209 10 0 ADAELP FC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 259848250 351881075 /nfs/dbraw/zinc/88/10/75/351881075.db2.gz WBNUJPYCDBFOER-SNVBAGLBSA-N 2 2 186.274 1.172 10 0 ADAELP FC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 259848242 351881141 /nfs/dbraw/zinc/88/11/41/351881141.db2.gz WBNUJPYCDBFOER-JTQLQIEISA-N 2 2 186.274 1.172 10 0 ADAELP C1C[NH2+][C@H](C[N@@H+]2CCC[C@@H]3C[C@@H]32)C1 260055780 351882711 /nfs/dbraw/zinc/88/27/11/351882711.db2.gz MULVKJOLKRQYFW-VWYCJHECSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[NH2+][C@H](C[N@H+]2CCC[C@@H]3C[C@@H]32)C1 260055780 351882715 /nfs/dbraw/zinc/88/27/15/351882715.db2.gz MULVKJOLKRQYFW-VWYCJHECSA-N 2 2 180.295 1.223 10 0 ADAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ccns1 261286978 351891182 /nfs/dbraw/zinc/89/11/82/351891182.db2.gz ZEYXDXYYHKLPGN-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccns1 261286978 351891186 /nfs/dbraw/zinc/89/11/86/351891186.db2.gz ZEYXDXYYHKLPGN-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccns1 261286979 351891253 /nfs/dbraw/zinc/89/12/53/351891253.db2.gz ZEYXDXYYHKLPGN-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccns1 261286979 351891258 /nfs/dbraw/zinc/89/12/58/351891258.db2.gz ZEYXDXYYHKLPGN-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1C 306156604 351901754 /nfs/dbraw/zinc/90/17/54/351901754.db2.gz MFJFDBSYTJHYAV-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C 306156604 351901757 /nfs/dbraw/zinc/90/17/57/351901757.db2.gz MFJFDBSYTJHYAV-GARJFASQSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1C 306156605 351901970 /nfs/dbraw/zinc/90/19/70/351901970.db2.gz MFJFDBSYTJHYAV-OUAUKWLOSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C 306156605 351901974 /nfs/dbraw/zinc/90/19/74/351901974.db2.gz MFJFDBSYTJHYAV-OUAUKWLOSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)[C@@H]1C 306156602 351902050 /nfs/dbraw/zinc/90/20/50/351902050.db2.gz MFJFDBSYTJHYAV-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1C 306156602 351902051 /nfs/dbraw/zinc/90/20/51/351902051.db2.gz MFJFDBSYTJHYAV-DCAQKATOSA-N 2 2 184.327 1.715 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCCC1 306160595 351903206 /nfs/dbraw/zinc/90/32/06/351903206.db2.gz FTPNPQQAWUODDY-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCCC1 306160595 351903207 /nfs/dbraw/zinc/90/32/07/351903207.db2.gz FTPNPQQAWUODDY-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCCC1 306160599 351903577 /nfs/dbraw/zinc/90/35/77/351903577.db2.gz FTPNPQQAWUODDY-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCCC1 306160599 351903582 /nfs/dbraw/zinc/90/35/82/351903582.db2.gz FTPNPQQAWUODDY-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCCC1 306166753 351903958 /nfs/dbraw/zinc/90/39/58/351903958.db2.gz ITGTWKKERYWPPF-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCCC1 306166753 351903960 /nfs/dbraw/zinc/90/39/60/351903960.db2.gz ITGTWKKERYWPPF-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCCC1 306166756 351903988 /nfs/dbraw/zinc/90/39/88/351903988.db2.gz ITGTWKKERYWPPF-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCCC1 306166756 351903990 /nfs/dbraw/zinc/90/39/90/351903990.db2.gz ITGTWKKERYWPPF-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC1 306316138 351919536 /nfs/dbraw/zinc/91/95/36/351919536.db2.gz RAIKWEKINQDLRI-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC1 306316138 351919539 /nfs/dbraw/zinc/91/95/39/351919539.db2.gz RAIKWEKINQDLRI-PSASIEDQSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC1 306316139 351919624 /nfs/dbraw/zinc/91/96/24/351919624.db2.gz RAIKWEKINQDLRI-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC1 306316139 351919627 /nfs/dbraw/zinc/91/96/27/351919627.db2.gz RAIKWEKINQDLRI-SCZZXKLOSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccoc1 306452501 351932559 /nfs/dbraw/zinc/93/25/59/351932559.db2.gz GNIFJLCQEHCDQZ-SCZZXKLOSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccoc1 306452501 351932563 /nfs/dbraw/zinc/93/25/63/351932563.db2.gz GNIFJLCQEHCDQZ-SCZZXKLOSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccoc1 306452500 351932570 /nfs/dbraw/zinc/93/25/70/351932570.db2.gz GNIFJLCQEHCDQZ-PSASIEDQSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccoc1 306452500 351932573 /nfs/dbraw/zinc/93/25/73/351932573.db2.gz GNIFJLCQEHCDQZ-PSASIEDQSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccoc1 306452503 351932587 /nfs/dbraw/zinc/93/25/87/351932587.db2.gz GNIFJLCQEHCDQZ-WPRPVWTQSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccoc1 306452503 351932588 /nfs/dbraw/zinc/93/25/88/351932588.db2.gz GNIFJLCQEHCDQZ-WPRPVWTQSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccoc1 306452502 351932664 /nfs/dbraw/zinc/93/26/64/351932664.db2.gz GNIFJLCQEHCDQZ-WCBMZHEXSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccoc1 306452502 351932667 /nfs/dbraw/zinc/93/26/67/351932667.db2.gz GNIFJLCQEHCDQZ-WCBMZHEXSA-N 2 2 180.251 1.201 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccsc1 306756508 351962861 /nfs/dbraw/zinc/96/28/61/351962861.db2.gz MBCKRNMYKAWOFB-PSASIEDQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccsc1 306756508 351962864 /nfs/dbraw/zinc/96/28/64/351962864.db2.gz MBCKRNMYKAWOFB-PSASIEDQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccsc1 306756509 351962961 /nfs/dbraw/zinc/96/29/61/351962961.db2.gz MBCKRNMYKAWOFB-SCZZXKLOSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccsc1 306756509 351962965 /nfs/dbraw/zinc/96/29/65/351962965.db2.gz MBCKRNMYKAWOFB-SCZZXKLOSA-N 2 2 196.319 1.670 10 0 ADAELP CC(C)C1([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 306830314 351967421 /nfs/dbraw/zinc/96/74/21/351967421.db2.gz LBAGCCIRGWBHJI-GHMZBOCLSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)C1([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 306830314 351967422 /nfs/dbraw/zinc/96/74/22/351967422.db2.gz LBAGCCIRGWBHJI-GHMZBOCLSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)C1([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 306830317 351967452 /nfs/dbraw/zinc/96/74/52/351967452.db2.gz LBAGCCIRGWBHJI-WDEREUQCSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)C1([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 306830317 351967453 /nfs/dbraw/zinc/96/74/53/351967453.db2.gz LBAGCCIRGWBHJI-WDEREUQCSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)C1([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 306830316 351967473 /nfs/dbraw/zinc/96/74/73/351967473.db2.gz LBAGCCIRGWBHJI-QWRGUYRKSA-N 2 2 196.338 1.715 10 0 ADAELP CC(C)C1([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 306830316 351967476 /nfs/dbraw/zinc/96/74/76/351967476.db2.gz LBAGCCIRGWBHJI-QWRGUYRKSA-N 2 2 196.338 1.715 10 0 ADAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]CC1CC1)C2 306854912 351969347 /nfs/dbraw/zinc/96/93/47/351969347.db2.gz VFUKSUMTXDOYFD-VIFPVBQESA-N 2 2 191.278 1.267 10 0 ADAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]CC1CC1)CC2 306854912 351969351 /nfs/dbraw/zinc/96/93/51/351969351.db2.gz VFUKSUMTXDOYFD-VIFPVBQESA-N 2 2 191.278 1.267 10 0 ADAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]CC1CC1)C2 306854911 351969421 /nfs/dbraw/zinc/96/94/21/351969421.db2.gz VFUKSUMTXDOYFD-SECBINFHSA-N 2 2 191.278 1.267 10 0 ADAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]CC1CC1)CC2 306854911 351969423 /nfs/dbraw/zinc/96/94/23/351969423.db2.gz VFUKSUMTXDOYFD-SECBINFHSA-N 2 2 191.278 1.267 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H](C)[C@H](C)[NH3+] 306883544 351971546 /nfs/dbraw/zinc/97/15/46/351971546.db2.gz KIVJLYULFSPEQJ-IUCAKERBSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H](C)[C@@H](C)[NH3+] 306883540 351971810 /nfs/dbraw/zinc/97/18/10/351971810.db2.gz KIVJLYULFSPEQJ-BDAKNGLRSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cc[nH+]cc1N[C@H](C)[C@H](C)[NH3+] 306883542 351971858 /nfs/dbraw/zinc/97/18/58/351971858.db2.gz KIVJLYULFSPEQJ-DTWKUNHWSA-N 2 2 179.267 1.538 10 0 ADAELP Cc1cc[nH+]cc1N[C@H](C)[C@@H](C)[NH3+] 306883545 351971904 /nfs/dbraw/zinc/97/19/04/351971904.db2.gz KIVJLYULFSPEQJ-RKDXNWHRSA-N 2 2 179.267 1.538 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])C(C)(C)C1 307018573 351981128 /nfs/dbraw/zinc/98/11/28/351981128.db2.gz XIHRFCWJNZYSEK-DTWKUNHWSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H](C)[NH3+])C(C)(C)C1 307018573 351981131 /nfs/dbraw/zinc/98/11/31/351981131.db2.gz XIHRFCWJNZYSEK-DTWKUNHWSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CC1 307282922 352000572 /nfs/dbraw/zinc/00/05/72/352000572.db2.gz HTLMFUVUMIKKDL-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CC1 307282922 352000575 /nfs/dbraw/zinc/00/05/75/352000575.db2.gz HTLMFUVUMIKKDL-ZJUUUORDSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CC1 307282904 352000611 /nfs/dbraw/zinc/00/06/11/352000611.db2.gz HTLMFUVUMIKKDL-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CC1 307282904 352000615 /nfs/dbraw/zinc/00/06/15/352000615.db2.gz HTLMFUVUMIKKDL-NXEZZACHSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@H]1C 307355509 352006793 /nfs/dbraw/zinc/00/67/93/352006793.db2.gz UJEPIOILRUADAT-GARJFASQSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@@H]1C 307355511 352006729 /nfs/dbraw/zinc/00/67/29/352006729.db2.gz UJEPIOILRUADAT-VWYCJHECSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@@H]1C 307355511 352006731 /nfs/dbraw/zinc/00/67/31/352006731.db2.gz UJEPIOILRUADAT-VWYCJHECSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@H]1C 307355509 352006797 /nfs/dbraw/zinc/00/67/97/352006797.db2.gz UJEPIOILRUADAT-GARJFASQSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H]1CC[NH2+][C@@H]1C 307355510 352006826 /nfs/dbraw/zinc/00/68/26/352006826.db2.gz UJEPIOILRUADAT-OUAUKWLOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+][C@@H]1C 307355510 352006829 /nfs/dbraw/zinc/00/68/29/352006829.db2.gz UJEPIOILRUADAT-OUAUKWLOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@H]1CC[NH2+][C@H]1C 307355508 352006835 /nfs/dbraw/zinc/00/68/35/352006835.db2.gz UJEPIOILRUADAT-DCAQKATOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@H]1C 307355508 352006837 /nfs/dbraw/zinc/00/68/37/352006837.db2.gz UJEPIOILRUADAT-DCAQKATOSA-N 2 2 184.327 1.713 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 307401360 352010103 /nfs/dbraw/zinc/01/01/03/352010103.db2.gz AUCXRIBUGJUOKM-MNOVXSKESA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C 307401360 352010104 /nfs/dbraw/zinc/01/01/04/352010104.db2.gz AUCXRIBUGJUOKM-MNOVXSKESA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 307401375 352010124 /nfs/dbraw/zinc/01/01/24/352010124.db2.gz AUCXRIBUGJUOKM-WDEREUQCSA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 307401375 352010126 /nfs/dbraw/zinc/01/01/26/352010126.db2.gz AUCXRIBUGJUOKM-WDEREUQCSA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 307401355 352010132 /nfs/dbraw/zinc/01/01/32/352010132.db2.gz AUCXRIBUGJUOKM-GHMZBOCLSA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 307401355 352010135 /nfs/dbraw/zinc/01/01/35/352010135.db2.gz AUCXRIBUGJUOKM-GHMZBOCLSA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 307401367 352010271 /nfs/dbraw/zinc/01/02/71/352010271.db2.gz AUCXRIBUGJUOKM-QWRGUYRKSA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)=CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 307401367 352010273 /nfs/dbraw/zinc/01/02/73/352010273.db2.gz AUCXRIBUGJUOKM-QWRGUYRKSA-N 2 2 182.311 1.492 10 0 ADAELP CC(C)C[N@@H+]1CC[NH+]2CCC1CC2 307467244 352015368 /nfs/dbraw/zinc/01/53/68/352015368.db2.gz KXIAHGJNPKCSSR-UHFFFAOYSA-N 2 2 182.311 1.422 10 0 ADAELP CC(C)C[N@H+]1CC[NH+]2CCC1CC2 307467244 352015371 /nfs/dbraw/zinc/01/53/71/352015371.db2.gz KXIAHGJNPKCSSR-UHFFFAOYSA-N 2 2 182.311 1.422 10 0 ADAELP CNc1cc[nH+]c(C[NH+]2CCC2)c1 307520969 352019516 /nfs/dbraw/zinc/01/95/16/352019516.db2.gz SJPGRHPJHANCCL-UHFFFAOYSA-N 2 2 177.251 1.329 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 307590571 352024219 /nfs/dbraw/zinc/02/42/19/352024219.db2.gz BTTDVIZFEWENSP-BDAKNGLRSA-N 2 2 193.294 1.655 10 0 ADAELP CC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 307590571 352024221 /nfs/dbraw/zinc/02/42/21/352024221.db2.gz BTTDVIZFEWENSP-BDAKNGLRSA-N 2 2 193.294 1.655 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 307590589 352024474 /nfs/dbraw/zinc/02/44/74/352024474.db2.gz BTTDVIZFEWENSP-RKDXNWHRSA-N 2 2 193.294 1.655 10 0 ADAELP CC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 307590589 352024478 /nfs/dbraw/zinc/02/44/78/352024478.db2.gz BTTDVIZFEWENSP-RKDXNWHRSA-N 2 2 193.294 1.655 10 0 ADAELP C[NH2+]C1(C[NH+](C)C)CCCC1 307696455 352033100 /nfs/dbraw/zinc/03/31/00/352033100.db2.gz DMTMLQFXQZZOSF-UHFFFAOYSA-N 2 2 156.273 1.080 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 307714730 352034511 /nfs/dbraw/zinc/03/45/11/352034511.db2.gz DQMWJVOPCJZUSY-SECBINFHSA-N 2 2 193.294 1.513 10 0 ADAELP CC(C)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 307714730 352034516 /nfs/dbraw/zinc/03/45/16/352034516.db2.gz DQMWJVOPCJZUSY-SECBINFHSA-N 2 2 193.294 1.513 10 0 ADAELP CC(C)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 307714733 352034643 /nfs/dbraw/zinc/03/46/43/352034643.db2.gz DQMWJVOPCJZUSY-VIFPVBQESA-N 2 2 193.294 1.513 10 0 ADAELP CC(C)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 307714733 352034647 /nfs/dbraw/zinc/03/46/47/352034647.db2.gz DQMWJVOPCJZUSY-VIFPVBQESA-N 2 2 193.294 1.513 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC1 307722009 352035039 /nfs/dbraw/zinc/03/50/39/352035039.db2.gz RNTHQZVWVGCCPL-KOLCDFICSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC1 307722009 352035042 /nfs/dbraw/zinc/03/50/42/352035042.db2.gz RNTHQZVWVGCCPL-KOLCDFICSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC1 307722010 352035140 /nfs/dbraw/zinc/03/51/40/352035140.db2.gz RNTHQZVWVGCCPL-MWLCHTKSSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC1 307722010 352035143 /nfs/dbraw/zinc/03/51/43/352035143.db2.gz RNTHQZVWVGCCPL-MWLCHTKSSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@@H](C)C[N@@H+]1CC[NH+]2CCC1CC2 335997312 352121540 /nfs/dbraw/zinc/12/15/40/352121540.db2.gz BCGRUENRXSRXCE-LLVKDONJSA-N 2 2 196.338 1.813 10 0 ADAELP CC[C@@H](C)C[N@H+]1CC[NH+]2CCC1CC2 335997312 352121544 /nfs/dbraw/zinc/12/15/44/352121544.db2.gz BCGRUENRXSRXCE-LLVKDONJSA-N 2 2 196.338 1.813 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@@H+]1CC[NH+]2CCC1CC2 335997829 352121672 /nfs/dbraw/zinc/12/16/72/352121672.db2.gz PGTLENHGZMSJFI-GHMZBOCLSA-N 2 2 194.322 1.422 10 0 ADAELP C[C@@H]1C[C@@H]1C[N@H+]1CC[NH+]2CCC1CC2 335997829 352121673 /nfs/dbraw/zinc/12/16/73/352121673.db2.gz PGTLENHGZMSJFI-GHMZBOCLSA-N 2 2 194.322 1.422 10 0 ADAELP C[C@@H]1C[C@H]1C[N@@H+]1CC[NH+]2CCC1CC2 335997830 352121971 /nfs/dbraw/zinc/12/19/71/352121971.db2.gz PGTLENHGZMSJFI-MNOVXSKESA-N 2 2 194.322 1.422 10 0 ADAELP C[C@@H]1C[C@H]1C[N@H+]1CC[NH+]2CCC1CC2 335997830 352121974 /nfs/dbraw/zinc/12/19/74/352121974.db2.gz PGTLENHGZMSJFI-MNOVXSKESA-N 2 2 194.322 1.422 10 0 ADAELP c1cn(CC[N@@H+]2CCC23CCC3)c[nH+]1 336556179 352148321 /nfs/dbraw/zinc/14/83/21/352148321.db2.gz VSJUFEKPODKEJX-UHFFFAOYSA-N 2 2 191.278 1.512 10 0 ADAELP c1cn(CC[N@H+]2CCC23CCC3)c[nH+]1 336556179 352148322 /nfs/dbraw/zinc/14/83/22/352148322.db2.gz VSJUFEKPODKEJX-UHFFFAOYSA-N 2 2 191.278 1.512 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c([C@H]2CCSC2)[nH]1 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ARDHCRBIFUAXHR-UHFFFAOYSA-N 2 2 196.338 1.718 10 0 ADAELP FC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 530245548 352189068 /nfs/dbraw/zinc/18/90/68/352189068.db2.gz ZCELWGCLDRRSBK-SECBINFHSA-N 2 2 198.285 1.363 10 0 ADAELP Cn1c[nH+]cc1-c1ccsc1C[NH3+] 575450530 352210425 /nfs/dbraw/zinc/21/04/25/352210425.db2.gz AINAMZGNUSWALJ-UHFFFAOYSA-N 2 2 193.275 1.607 10 0 ADAELP Cn1c[nH+]cc1C1([NH3+])CCSCC1 575451260 352213456 /nfs/dbraw/zinc/21/34/56/352213456.db2.gz ZZHRUSNIMRNSHV-UHFFFAOYSA-N 2 2 197.307 1.101 10 0 ADAELP Cc1cc(C[C@H]2CC[NH2+]C2)cc[nH+]1 575451428 352214111 /nfs/dbraw/zinc/21/41/11/352214111.db2.gz UIGKNRHLGITVAT-LLVKDONJSA-N 2 2 176.263 1.542 10 0 ADAELP Cc1cc(C[C@@H]2CC[NH2+]C2)cc[nH+]1 575451429 352214172 /nfs/dbraw/zinc/21/41/72/352214172.db2.gz UIGKNRHLGITVAT-NSHDSACASA-N 2 2 176.263 1.542 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2ccns2)C1 575452283 352217648 /nfs/dbraw/zinc/21/76/48/352217648.db2.gz RQDQSNRAYDCEHX-VXNVDRBHSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2ccns2)C1 575452283 352217650 /nfs/dbraw/zinc/21/76/50/352217650.db2.gz RQDQSNRAYDCEHX-VXNVDRBHSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])c2ccns2)C1 575452281 352217723 /nfs/dbraw/zinc/21/77/23/352217723.db2.gz RQDQSNRAYDCEHX-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H]([C@H]([NH3+])c2ccns2)C1 575452281 352217727 /nfs/dbraw/zinc/21/77/27/352217727.db2.gz RQDQSNRAYDCEHX-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])c2ccns2)C1 575452282 352217897 /nfs/dbraw/zinc/21/78/97/352217897.db2.gz RQDQSNRAYDCEHX-IONNQARKSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2ccns2)C1 575452282 352217902 /nfs/dbraw/zinc/21/79/02/352217902.db2.gz RQDQSNRAYDCEHX-IONNQARKSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@H]([NH3+])c2ccns2)C1 575452279 352217973 /nfs/dbraw/zinc/21/79/73/352217973.db2.gz RQDQSNRAYDCEHX-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H]([C@H]([NH3+])c2ccns2)C1 575452279 352217975 /nfs/dbraw/zinc/21/79/75/352217975.db2.gz RQDQSNRAYDCEHX-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C[C@@H]1F 575453593 352221241 /nfs/dbraw/zinc/22/12/41/352221241.db2.gz ISVZOSQWQSXDIA-KXUCPTDWSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C[C@@H]1F 575453593 352221244 /nfs/dbraw/zinc/22/12/44/352221244.db2.gz ISVZOSQWQSXDIA-KXUCPTDWSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C[C@H]1F 575453571 352221387 /nfs/dbraw/zinc/22/13/87/352221387.db2.gz ISVZOSQWQSXDIA-BBBLOLIVSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C[C@H]1F 575453571 352221391 /nfs/dbraw/zinc/22/13/91/352221391.db2.gz ISVZOSQWQSXDIA-BBBLOLIVSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@@H]1CC[NH2+]C[C@H]1F 575453599 352221416 /nfs/dbraw/zinc/22/14/16/352221416.db2.gz ISVZOSQWQSXDIA-OPRDCNLKSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C[C@H]1F 575453599 352221418 /nfs/dbraw/zinc/22/14/18/352221418.db2.gz ISVZOSQWQSXDIA-OPRDCNLKSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[N@@H+]1[C@H]1CC[NH2+]C[C@@H]1F 575453600 352221445 /nfs/dbraw/zinc/22/14/45/352221445.db2.gz ISVZOSQWQSXDIA-UTLUCORTSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]C[C@@H]1F 575453600 352221449 /nfs/dbraw/zinc/22/14/49/352221449.db2.gz ISVZOSQWQSXDIA-UTLUCORTSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@@H]1Cn1cc[nH+]c1 575454242 352223992 /nfs/dbraw/zinc/22/39/92/352223992.db2.gz NHWKDHJBZVAWQC-NXEZZACHSA-N 2 2 179.267 1.129 10 0 ADAELP C[C@H]1C[NH2+]CC[C@H]1Cn1cc[nH+]c1 575454268 352224017 /nfs/dbraw/zinc/22/40/17/352224017.db2.gz NHWKDHJBZVAWQC-UWVGGRQHSA-N 2 2 179.267 1.129 10 0 ADAELP C[C@@H]1C[NH2+]CC[C@H]1Cn1cc[nH+]c1 575454273 352224204 /nfs/dbraw/zinc/22/42/04/352224204.db2.gz NHWKDHJBZVAWQC-ZJUUUORDSA-N 2 2 179.267 1.129 10 0 ADAELP C[C@H]1C[NH2+]CC[C@@H]1Cn1cc[nH+]c1 575454270 352224226 /nfs/dbraw/zinc/22/42/26/352224226.db2.gz NHWKDHJBZVAWQC-VHSXEESVSA-N 2 2 179.267 1.129 10 0 ADAELP Cn1c[nH+]cc1[C@]1([NH3+])CCCSC1 575455518 352226111 /nfs/dbraw/zinc/22/61/11/352226111.db2.gz IOLRLNCEOQPKQO-VIFPVBQESA-N 2 2 197.307 1.101 10 0 ADAELP Cn1c[nH+]cc1[C@@]1([NH3+])CCCSC1 575455517 352226338 /nfs/dbraw/zinc/22/63/38/352226338.db2.gz IOLRLNCEOQPKQO-SECBINFHSA-N 2 2 197.307 1.101 10 0 ADAELP CC(C)n1cc[nH+]c1C=C1C[NH2+]C1 575457754 352233994 /nfs/dbraw/zinc/23/39/94/352233994.db2.gz XCMQOTZJNPNIPH-UHFFFAOYSA-N 2 2 177.251 1.451 10 0 ADAELP CC1C[NH+](Cc2cc(N)cc[nH+]2)C1 575458125 352235648 /nfs/dbraw/zinc/23/56/48/352235648.db2.gz LRYWVNOUQBXYQL-UHFFFAOYSA-N 2 2 177.251 1.116 10 0 ADAELP C[NH+]1CCC([NH3+])(c2cscn2)CC1 575459126 352239553 /nfs/dbraw/zinc/23/95/53/352239553.db2.gz OUHWFRDDEHRAGM-UHFFFAOYSA-N 2 2 197.307 1.023 10 0 ADAELP Cn1c[nH+]cc1[C@H](F)[C@H]1CCC[NH2+]1 575462038 352250068 /nfs/dbraw/zinc/25/00/68/352250068.db2.gz GWZNWINNXQWJPQ-VXNVDRBHSA-N 2 2 183.230 1.183 10 0 ADAELP Cn1c[nH+]cc1[C@@H](F)[C@H]1CCC[NH2+]1 575462031 352250224 /nfs/dbraw/zinc/25/02/24/352250224.db2.gz GWZNWINNXQWJPQ-APPZFPTMSA-N 2 2 183.230 1.183 10 0 ADAELP Cn1c[nH+]cc1[C@@H](F)[C@@H]1CCC[NH2+]1 575462036 352250230 /nfs/dbraw/zinc/25/02/30/352250230.db2.gz GWZNWINNXQWJPQ-CBAPKCEASA-N 2 2 183.230 1.183 10 0 ADAELP Cn1c[nH+]cc1[C@H](F)[C@@H]1CCC[NH2+]1 575462037 352250282 /nfs/dbraw/zinc/25/02/82/352250282.db2.gz GWZNWINNXQWJPQ-IONNQARKSA-N 2 2 183.230 1.183 10 0 ADAELP Cc1c[nH+]ccc1CC1([NH3+])CC1 575462189 352250947 /nfs/dbraw/zinc/25/09/47/352250947.db2.gz ULRPHQOBISRFLG-UHFFFAOYSA-N 2 2 162.236 1.424 10 0 ADAELP Cn1cc[nH+]c1[C@]1(C[NH3+])CC1(C)C 575462317 352251608 /nfs/dbraw/zinc/25/16/08/352251608.db2.gz XDHIIPBXQLVRII-SNVBAGLBSA-N 2 2 179.267 1.047 10 0 ADAELP Cn1cc[nH+]c1[C@@]1(C[NH3+])CC1(C)C 575462316 352251816 /nfs/dbraw/zinc/25/18/16/352251816.db2.gz XDHIIPBXQLVRII-JTQLQIEISA-N 2 2 179.267 1.047 10 0 ADAELP C[N@@H+]1CCC[C@]([NH3+])(c2ccsc2)C1 575465828 352264542 /nfs/dbraw/zinc/26/45/42/352264542.db2.gz NLLSZYWNVWBKCI-SNVBAGLBSA-N 2 2 196.319 1.628 10 0 ADAELP C[N@H+]1CCC[C@]([NH3+])(c2ccsc2)C1 575465828 352264546 /nfs/dbraw/zinc/26/45/46/352264546.db2.gz NLLSZYWNVWBKCI-SNVBAGLBSA-N 2 2 196.319 1.628 10 0 ADAELP C[N@@H+]1CCC[C@@]([NH3+])(c2ccsc2)C1 575465827 352264685 /nfs/dbraw/zinc/26/46/85/352264685.db2.gz NLLSZYWNVWBKCI-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP C[N@H+]1CCC[C@@]([NH3+])(c2ccsc2)C1 575465827 352264688 /nfs/dbraw/zinc/26/46/88/352264688.db2.gz NLLSZYWNVWBKCI-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP C[C@@H]1CCN1c1cc[nH+]c(C[NH3+])c1 575466963 352269006 /nfs/dbraw/zinc/26/90/06/352269006.db2.gz YSPIVHVMZNNJRK-MRVPVSSYSA-N 2 2 177.251 1.139 10 0 ADAELP C[C@H]1CCN1c1cc[nH+]c(C[NH3+])c1 575466964 352269125 /nfs/dbraw/zinc/26/91/25/352269125.db2.gz YSPIVHVMZNNJRK-QMMMGPOBSA-N 2 2 177.251 1.139 10 0 ADAELP Cn1c[nH+]cc1C1=C[C@@H]([NH3+])CCC1 575467306 352270362 /nfs/dbraw/zinc/27/03/62/352270362.db2.gz XPEPMFIXEICZNF-VIFPVBQESA-N 2 2 177.251 1.315 10 0 ADAELP Cn1c[nH+]cc1C1=C[C@H]([NH3+])CCC1 575467305 352270412 /nfs/dbraw/zinc/27/04/12/352270412.db2.gz XPEPMFIXEICZNF-SECBINFHSA-N 2 2 177.251 1.315 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@@H]1CCCS1 575468083 352273336 /nfs/dbraw/zinc/27/33/36/352273336.db2.gz JVHZZSPYMWYOEI-DTWKUNHWSA-N 2 2 197.307 1.316 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@H]1CCCS1 575468082 352273358 /nfs/dbraw/zinc/27/33/58/352273358.db2.gz JVHZZSPYMWYOEI-BDAKNGLRSA-N 2 2 197.307 1.316 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@H]1CCCS1 575468085 352273398 /nfs/dbraw/zinc/27/33/98/352273398.db2.gz JVHZZSPYMWYOEI-RKDXNWHRSA-N 2 2 197.307 1.316 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@@H]1CCCS1 575468084 352273417 /nfs/dbraw/zinc/27/34/17/352273417.db2.gz JVHZZSPYMWYOEI-IUCAKERBSA-N 2 2 197.307 1.316 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@H]([NH3+])c2ccsn2)C1 575469398 352279222 /nfs/dbraw/zinc/27/92/22/352279222.db2.gz QPBNDCAMEJTLII-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H]([C@H]([NH3+])c2ccsn2)C1 575469398 352279223 /nfs/dbraw/zinc/27/92/23/352279223.db2.gz QPBNDCAMEJTLII-APPZFPTMSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@H]([C@H]([NH3+])c2ccsn2)C1 575469399 352279245 /nfs/dbraw/zinc/27/92/45/352279245.db2.gz QPBNDCAMEJTLII-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H]([C@H]([NH3+])c2ccsn2)C1 575469399 352279247 /nfs/dbraw/zinc/27/92/47/352279247.db2.gz QPBNDCAMEJTLII-CBAPKCEASA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@H]([C@@H]([NH3+])c2ccsn2)C1 575469400 352279436 /nfs/dbraw/zinc/27/94/36/352279436.db2.gz QPBNDCAMEJTLII-IONNQARKSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2ccsn2)C1 575469400 352279440 /nfs/dbraw/zinc/27/94/40/352279440.db2.gz QPBNDCAMEJTLII-IONNQARKSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])c2ccsn2)C1 575469401 352279677 /nfs/dbraw/zinc/27/96/77/352279677.db2.gz QPBNDCAMEJTLII-VXNVDRBHSA-N 2 2 197.307 1.095 10 0 ADAELP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2ccsn2)C1 575469401 352279681 /nfs/dbraw/zinc/27/96/81/352279681.db2.gz QPBNDCAMEJTLII-VXNVDRBHSA-N 2 2 197.307 1.095 10 0 ADAELP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 575470660 352283976 /nfs/dbraw/zinc/28/39/76/352283976.db2.gz ZWUXSTXENXGCOH-OCAPTIKFSA-N 2 2 190.237 1.065 10 0 ADAELP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC(F)(F)C2)C1 575470660 352283978 /nfs/dbraw/zinc/28/39/78/352283978.db2.gz ZWUXSTXENXGCOH-OCAPTIKFSA-N 2 2 190.237 1.065 10 0 ADAELP C[NH+]1CCC([NH3+])(c2cncs2)CC1 575470778 352284760 /nfs/dbraw/zinc/28/47/60/352284760.db2.gz OOYHFQWGUJNOSS-UHFFFAOYSA-N 2 2 197.307 1.023 10 0 ADAELP C[NH+]1CCC([NH3+])(c2cnsc2)CC1 575471505 352286840 /nfs/dbraw/zinc/28/68/40/352286840.db2.gz AUMPDZSRMGJLAX-UHFFFAOYSA-N 2 2 197.307 1.023 10 0 ADAELP CC1CC(C[NH3+])([N@@H+]2CC[C@@H](F)C2)C1 575471877 352288020 /nfs/dbraw/zinc/28/80/20/352288020.db2.gz WZOVLCWPDRRULF-HWOCKDDLSA-N 2 2 186.274 1.158 10 0 ADAELP CC1CC(C[NH3+])([N@H+]2CC[C@@H](F)C2)C1 575471877 352288021 /nfs/dbraw/zinc/28/80/21/352288021.db2.gz WZOVLCWPDRRULF-HWOCKDDLSA-N 2 2 186.274 1.158 10 0 ADAELP CC1CC(C[NH3+])([N@@H+]2CC[C@H](F)C2)C1 575471878 352288240 /nfs/dbraw/zinc/28/82/40/352288240.db2.gz WZOVLCWPDRRULF-KYHHOPLUSA-N 2 2 186.274 1.158 10 0 ADAELP CC1CC(C[NH3+])([N@H+]2CC[C@H](F)C2)C1 575471878 352288244 /nfs/dbraw/zinc/28/82/44/352288244.db2.gz WZOVLCWPDRRULF-KYHHOPLUSA-N 2 2 186.274 1.158 10 0 ADAELP Cc1[nH+]cc([C@](C)([NH3+])C2CC2)n1C 575475742 352293006 /nfs/dbraw/zinc/29/30/06/352293006.db2.gz VSRRDDWPLTUUEB-SNVBAGLBSA-N 2 2 179.267 1.312 10 0 ADAELP Cn1c[nH+]c(C2CCC([NH3+])CC2)c1 575475537 352293420 /nfs/dbraw/zinc/29/34/20/352293420.db2.gz YFAHBNYZKCMDBE-UHFFFAOYSA-N 2 2 179.267 1.405 10 0 ADAELP Cc1[nH+]cc([C@@](C)([NH3+])C2CC2)n1C 575475741 352293440 /nfs/dbraw/zinc/29/34/40/352293440.db2.gz VSRRDDWPLTUUEB-JTQLQIEISA-N 2 2 179.267 1.312 10 0 ADAELP C[NH+]1CCC([NH3+])(c2ccsn2)CC1 575476466 352293722 /nfs/dbraw/zinc/29/37/22/352293722.db2.gz JAAHNHSSJGFEAX-UHFFFAOYSA-N 2 2 197.307 1.023 10 0 ADAELP CCC1C[NH+]([C@H]2C[NH2+]C[C@@H](C)C2)C1 575478340 352294576 /nfs/dbraw/zinc/29/45/76/352294576.db2.gz BLCOJGUDSXWYFP-GXSJLCMTSA-N 2 2 182.311 1.326 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc2cscc2s1 575478326 352294725 /nfs/dbraw/zinc/29/47/25/352294725.db2.gz BINLKAYADWRUKZ-LURJTMIESA-N 2 2 198.316 1.921 10 0 ADAELP CCC1C[NH+]([C@@H]2C[NH2+]C[C@@H](C)C2)C1 575478343 352294734 /nfs/dbraw/zinc/29/47/34/352294734.db2.gz BLCOJGUDSXWYFP-ONGXEEELSA-N 2 2 182.311 1.326 10 0 ADAELP CCC1C[NH+]([C@@H]2C[NH2+]C[C@H](C)C2)C1 575478341 352294850 /nfs/dbraw/zinc/29/48/50/352294850.db2.gz BLCOJGUDSXWYFP-KOLCDFICSA-N 2 2 182.311 1.326 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1cc2cscc2s1 575478327 352294877 /nfs/dbraw/zinc/29/48/77/352294877.db2.gz BINLKAYADWRUKZ-ZCFIWIBFSA-N 2 2 198.316 1.921 10 0 ADAELP CCC1C[NH+]([C@H]2C[NH2+]C[C@H](C)C2)C1 575478342 352294934 /nfs/dbraw/zinc/29/49/34/352294934.db2.gz BLCOJGUDSXWYFP-MWLCHTKSSA-N 2 2 182.311 1.326 10 0 ADAELP CCC1C[NH+]([C@@H]2CC[NH2+]C[C@@H]2F)C1 575478614 352295942 /nfs/dbraw/zinc/29/59/42/352295942.db2.gz ILMPTLFOIPFBPL-VHSXEESVSA-N 2 2 186.274 1.028 10 0 ADAELP CCC1C[NH+]([C@@H]2CC[NH2+]C[C@H]2F)C1 575478611 352295994 /nfs/dbraw/zinc/29/59/94/352295994.db2.gz ILMPTLFOIPFBPL-NXEZZACHSA-N 2 2 186.274 1.028 10 0 ADAELP CCC1C[NH+]([C@H]2CC[NH2+]C[C@@H]2F)C1 575478613 352296008 /nfs/dbraw/zinc/29/60/08/352296008.db2.gz ILMPTLFOIPFBPL-UWVGGRQHSA-N 2 2 186.274 1.028 10 0 ADAELP CC1C[NH+]([C@H](C)[C@H]2CCCC[NH2+]2)C1 575478496 352296114 /nfs/dbraw/zinc/29/61/14/352296114.db2.gz HGIYFSCWPXIDQN-GHMZBOCLSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1C[NH+]([C@H]2CC[NH2+]C[C@H]2F)C1 575478615 352296238 /nfs/dbraw/zinc/29/62/38/352296238.db2.gz ILMPTLFOIPFBPL-ZJUUUORDSA-N 2 2 186.274 1.028 10 0 ADAELP CC1C[NH+]([C@H](C)[C@@H]2CCCC[NH2+]2)C1 575478498 352296261 /nfs/dbraw/zinc/29/62/61/352296261.db2.gz HGIYFSCWPXIDQN-MNOVXSKESA-N 2 2 182.311 1.469 10 0 ADAELP CC1C[NH+]([C@@H](C)[C@@H]2CCCC[NH2+]2)C1 575478499 352296281 /nfs/dbraw/zinc/29/62/81/352296281.db2.gz HGIYFSCWPXIDQN-QWRGUYRKSA-N 2 2 182.311 1.469 10 0 ADAELP CC1C[NH+]([C@@H](C)[C@H]2CCCC[NH2+]2)C1 575478504 352296287 /nfs/dbraw/zinc/29/62/87/352296287.db2.gz HGIYFSCWPXIDQN-WDEREUQCSA-N 2 2 182.311 1.469 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@]1(C)C[C@H]1F 575478678 352296519 /nfs/dbraw/zinc/29/65/19/352296519.db2.gz JEPRUVXIESEAAD-HRDYMLBCSA-N 2 2 183.230 1.168 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@@]1(C)C[C@@H]1F 575478677 352296551 /nfs/dbraw/zinc/29/65/51/352296551.db2.gz JEPRUVXIESEAAD-CIUDSAMLSA-N 2 2 183.230 1.168 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@]1(C)C[C@@H]1F 575478680 352296609 /nfs/dbraw/zinc/29/66/09/352296609.db2.gz JEPRUVXIESEAAD-XHNCKOQMSA-N 2 2 183.230 1.168 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@@]1(C)C[C@H]1F 575478679 352296837 /nfs/dbraw/zinc/29/68/37/352296837.db2.gz JEPRUVXIESEAAD-VGMNWLOBSA-N 2 2 183.230 1.168 10 0 ADAELP C/C=C/C[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 575479734 352301530 /nfs/dbraw/zinc/30/15/30/352301530.db2.gz FPCVZBGUEZVAOO-OKWQPMOJSA-N 2 2 168.284 1.374 10 0 ADAELP C/C=C/C[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 575479734 352301533 /nfs/dbraw/zinc/30/15/33/352301533.db2.gz FPCVZBGUEZVAOO-OKWQPMOJSA-N 2 2 168.284 1.374 10 0 ADAELP C/C=C/C[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 575479733 352301549 /nfs/dbraw/zinc/30/15/49/352301549.db2.gz FPCVZBGUEZVAOO-OHINUGQQSA-N 2 2 168.284 1.374 10 0 ADAELP C/C=C/C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 575479731 352301677 /nfs/dbraw/zinc/30/16/77/352301677.db2.gz FPCVZBGUEZVAOO-FCVPOFOPSA-N 2 2 168.284 1.374 10 0 ADAELP C/C=C/C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 575479731 352301678 /nfs/dbraw/zinc/30/16/78/352301678.db2.gz FPCVZBGUEZVAOO-FCVPOFOPSA-N 2 2 168.284 1.374 10 0 ADAELP C/C=C/C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 575479732 352301825 /nfs/dbraw/zinc/30/18/25/352301825.db2.gz FPCVZBGUEZVAOO-HIHHVFROSA-N 2 2 168.284 1.374 10 0 ADAELP C/C=C/C[N@H+]1C[C@H]([NH3+])CC[C@H]1C 575479732 352301828 /nfs/dbraw/zinc/30/18/28/352301828.db2.gz FPCVZBGUEZVAOO-HIHHVFROSA-N 2 2 168.284 1.374 10 0 ADAELP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]2C)C[NH2+]1 575480386 352304736 /nfs/dbraw/zinc/30/47/36/352304736.db2.gz JDSVGMUBQRUOQV-OPRDCNLKSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]2C)C[NH2+]1 575480386 352304737 /nfs/dbraw/zinc/30/47/37/352304737.db2.gz JDSVGMUBQRUOQV-OPRDCNLKSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[N@@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 575480385 352304948 /nfs/dbraw/zinc/30/49/48/352304948.db2.gz JDSVGMUBQRUOQV-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[N@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 575480385 352304952 /nfs/dbraw/zinc/30/49/52/352304952.db2.gz JDSVGMUBQRUOQV-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[N@@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 575480387 352304971 /nfs/dbraw/zinc/30/49/71/352304971.db2.gz JDSVGMUBQRUOQV-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 575480387 352304976 /nfs/dbraw/zinc/30/49/76/352304976.db2.gz JDSVGMUBQRUOQV-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP CC1CC([C@H]([NH3+])c2c[nH+]cn2C)C1 575480442 352305351 /nfs/dbraw/zinc/30/53/51/352305351.db2.gz WFQDQCKSSYYGSF-KTOWXAHTSA-N 2 2 179.267 1.466 10 0 ADAELP CC1CC([C@@H]([NH3+])c2c[nH+]cn2C)C1 575480443 352305483 /nfs/dbraw/zinc/30/54/83/352305483.db2.gz WFQDQCKSSYYGSF-SFVIPPHHSA-N 2 2 179.267 1.466 10 0 ADAELP C1C[NH2+]CC[N@H+]([C@]23CCC[C@H]2C3)C1 575480928 352308434 /nfs/dbraw/zinc/30/84/34/352308434.db2.gz OVXVGEFSIOZGDE-QWRGUYRKSA-N 2 2 180.295 1.224 10 0 ADAELP C1C[NH2+]CC[N@@H+]([C@]23CCC[C@H]2C3)C1 575480928 352308436 /nfs/dbraw/zinc/30/84/36/352308436.db2.gz OVXVGEFSIOZGDE-QWRGUYRKSA-N 2 2 180.295 1.224 10 0 ADAELP C1C[NH2+]CC[N@H+]([C@@]23CCC[C@@H]2C3)C1 575480926 352308582 /nfs/dbraw/zinc/30/85/82/352308582.db2.gz OVXVGEFSIOZGDE-GHMZBOCLSA-N 2 2 180.295 1.224 10 0 ADAELP C1C[NH2+]CC[N@@H+]([C@@]23CCC[C@@H]2C3)C1 575480926 352308583 /nfs/dbraw/zinc/30/85/83/352308583.db2.gz OVXVGEFSIOZGDE-GHMZBOCLSA-N 2 2 180.295 1.224 10 0 ADAELP C[C@H]1CC[C@H]([NH+]2CC3(CC3)C2)C[NH2+]1 575481675 352311480 /nfs/dbraw/zinc/31/14/80/352311480.db2.gz PDDQSMNHONZSDS-UWVGGRQHSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C[NH2+]1 575481673 352311566 /nfs/dbraw/zinc/31/15/66/352311566.db2.gz PDDQSMNHONZSDS-NXEZZACHSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@@H]1CC[C@H]([NH+]2CC3(CC3)C2)C[NH2+]1 575481677 352311800 /nfs/dbraw/zinc/31/18/00/352311800.db2.gz PDDQSMNHONZSDS-ZJUUUORDSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C[NH2+]1 575481676 352311891 /nfs/dbraw/zinc/31/18/91/352311891.db2.gz PDDQSMNHONZSDS-VHSXEESVSA-N 2 2 180.295 1.223 10 0 ADAELP FC1(F)CC([N@@H+]2CCC[NH2+]CC2)C1 575481688 352312449 /nfs/dbraw/zinc/31/24/49/352312449.db2.gz PHFUZLJPRSZMSU-UHFFFAOYSA-N 2 2 190.237 1.079 10 0 ADAELP FC1(F)CC([N@H+]2CCC[NH2+]CC2)C1 575481688 352312452 /nfs/dbraw/zinc/31/24/52/352312452.db2.gz PHFUZLJPRSZMSU-UHFFFAOYSA-N 2 2 190.237 1.079 10 0 ADAELP [NH3+][C@H]1CCC[N@@H+](C2CC(F)(F)C2)C1 575482340 352315368 /nfs/dbraw/zinc/31/53/68/352315368.db2.gz RKVZCWLRCCFODE-ZETCQYMHSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@H]1CCC[N@H+](C2CC(F)(F)C2)C1 575482340 352315370 /nfs/dbraw/zinc/31/53/70/352315370.db2.gz RKVZCWLRCCFODE-ZETCQYMHSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+][C@@H]1CCC[N@@H+](C2CC(F)(F)C2)C1 575482339 352315397 /nfs/dbraw/zinc/31/53/97/352315397.db2.gz RKVZCWLRCCFODE-SSDOTTSWSA-N 2 2 190.237 1.207 10 0 ADAELP CC1C[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 575483271 352319940 /nfs/dbraw/zinc/31/99/40/352319940.db2.gz UXSDZLKXRFNCRR-NXEZZACHSA-N 2 2 168.284 1.079 10 0 ADAELP CC1C[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 575483277 352320078 /nfs/dbraw/zinc/32/00/78/352320078.db2.gz UXSDZLKXRFNCRR-VHSXEESVSA-N 2 2 168.284 1.079 10 0 ADAELP CC1C[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 575483278 352320092 /nfs/dbraw/zinc/32/00/92/352320092.db2.gz UXSDZLKXRFNCRR-ZJUUUORDSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]([NH3+])c1c[nH+]c([C@H]2CC23CC3)[nH]1 575483216 352320193 /nfs/dbraw/zinc/32/01/93/352320193.db2.gz OLVFTDVIFUACAT-NKWVEPMBSA-N 2 2 177.251 1.697 10 0 ADAELP CC1C[NH+]([C@H]2CC[C@H](C)[NH2+]C2)C1 575483276 352320210 /nfs/dbraw/zinc/32/02/10/352320210.db2.gz UXSDZLKXRFNCRR-UWVGGRQHSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c([C@H]2CC23CC3)[nH]1 575483217 352320220 /nfs/dbraw/zinc/32/02/20/352320220.db2.gz OLVFTDVIFUACAT-RNFRBKRXSA-N 2 2 177.251 1.697 10 0 ADAELP C[C@H]([NH3+])c1c[nH+]c([C@@H]2CC23CC3)[nH]1 575483211 352320233 /nfs/dbraw/zinc/32/02/33/352320233.db2.gz OLVFTDVIFUACAT-BQBZGAKWSA-N 2 2 177.251 1.697 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c([C@@H]2CC23CC3)[nH]1 575483218 352320274 /nfs/dbraw/zinc/32/02/74/352320274.db2.gz OLVFTDVIFUACAT-RQJHMYQMSA-N 2 2 177.251 1.697 10 0 ADAELP C1C[NH2+]CC[N@H+](C[C@@H]2CC23CC3)C1 575484034 352324794 /nfs/dbraw/zinc/32/47/94/352324794.db2.gz RZKAKHKZJNOZPW-JTQLQIEISA-N 2 2 180.295 1.082 10 0 ADAELP C1C[NH2+]CC[N@H+](C[C@H]2CC23CC3)C1 575484038 352324869 /nfs/dbraw/zinc/32/48/69/352324869.db2.gz RZKAKHKZJNOZPW-SNVBAGLBSA-N 2 2 180.295 1.082 10 0 ADAELP C1C[NH2+]CC[N@@H+](C[C@H]2CC23CC3)C1 575484038 352324872 /nfs/dbraw/zinc/32/48/72/352324872.db2.gz RZKAKHKZJNOZPW-SNVBAGLBSA-N 2 2 180.295 1.082 10 0 ADAELP CCC1C[NH+]([C@H]2CC[C@H](C)[NH2+]C2)C1 575484188 352325451 /nfs/dbraw/zinc/32/54/51/352325451.db2.gz XPXWBLDPGOSMFY-ONGXEEELSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1[C@H](C)C1CC1 575484225 352325532 /nfs/dbraw/zinc/32/55/32/352325532.db2.gz YBHGGJMYHSERPA-KKZNHRDASA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1[C@H](C)C1CC1 575484225 352325536 /nfs/dbraw/zinc/32/55/36/352325536.db2.gz YBHGGJMYHSERPA-KKZNHRDASA-N 2 2 182.311 1.597 10 0 ADAELP CCC1C[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 575484187 352325623 /nfs/dbraw/zinc/32/56/23/352325623.db2.gz XPXWBLDPGOSMFY-MWLCHTKSSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1C[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)C1 575484185 352325628 /nfs/dbraw/zinc/32/56/28/352325628.db2.gz XPXWBLDPGOSMFY-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CCC1C[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 575484186 352325759 /nfs/dbraw/zinc/32/57/59/352325759.db2.gz XPXWBLDPGOSMFY-KOLCDFICSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 575484228 352326004 /nfs/dbraw/zinc/32/60/04/352326004.db2.gz YBHGGJMYHSERPA-YWVKMMECSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 575484228 352326008 /nfs/dbraw/zinc/32/60/08/352326008.db2.gz YBHGGJMYHSERPA-YWVKMMECSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 575484226 352326418 /nfs/dbraw/zinc/32/64/18/352326418.db2.gz YBHGGJMYHSERPA-WCABBAIRSA-N 2 2 182.311 1.597 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1C[C@H]([NH3+])CC[C@H]1C 575484226 352326424 /nfs/dbraw/zinc/32/64/24/352326424.db2.gz YBHGGJMYHSERPA-WCABBAIRSA-N 2 2 182.311 1.597 10 0 ADAELP [NH3+][C@H]1C[C@H](C[N@@H+]2CCC(F)(F)C2)C1 575484506 352327506 /nfs/dbraw/zinc/32/75/06/352327506.db2.gz ZWUXSTXENXGCOH-ZKCHVHJHSA-N 2 2 190.237 1.065 10 0 ADAELP [NH3+][C@H]1C[C@H](C[N@H+]2CCC(F)(F)C2)C1 575484506 352327510 /nfs/dbraw/zinc/32/75/10/352327510.db2.gz ZWUXSTXENXGCOH-ZKCHVHJHSA-N 2 2 190.237 1.065 10 0 ADAELP FC1(F)CC([NH2+][C@H]2CCC[NH2+]C2)C1 575484825 352328320 /nfs/dbraw/zinc/32/83/20/352328320.db2.gz WYBQUJMTPRPRGQ-ZETCQYMHSA-N 2 2 190.237 1.126 10 0 ADAELP FC1(F)CC([NH2+][C@@H]2CCC[NH2+]C2)C1 575484824 352328607 /nfs/dbraw/zinc/32/86/07/352328607.db2.gz WYBQUJMTPRPRGQ-SSDOTTSWSA-N 2 2 190.237 1.126 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 575485153 352329653 /nfs/dbraw/zinc/32/96/53/352329653.db2.gz ZYSWLJNJZSFVNO-SSDOTTSWSA-N 2 2 190.237 1.078 10 0 ADAELP C[N@H+]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 575485153 352329656 /nfs/dbraw/zinc/32/96/56/352329656.db2.gz ZYSWLJNJZSFVNO-SSDOTTSWSA-N 2 2 190.237 1.078 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 575485155 352329664 /nfs/dbraw/zinc/32/96/64/352329664.db2.gz 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575511369 352466342 /nfs/dbraw/zinc/46/63/42/352466342.db2.gz ROTUDMOERLQUMD-MRVPVSSYSA-N 2 2 174.263 1.158 10 0 ADAELP CC(C)(C[NH3+])[N@H+]1CCC[C@@H](F)C1 575511369 352466346 /nfs/dbraw/zinc/46/63/46/352466346.db2.gz ROTUDMOERLQUMD-MRVPVSSYSA-N 2 2 174.263 1.158 10 0 ADAELP CC1(C)C[C@]2(CC[NH2+]1)[NH2+]CCS2 575511626 352466867 /nfs/dbraw/zinc/46/68/67/352466867.db2.gz HBKLWINGSCRXDK-SECBINFHSA-N 2 2 186.324 1.181 10 0 ADAELP Cc1[nH+]cc([C@@H]2[NH2+]CC2(C)C)n1C 575511705 352467772 /nfs/dbraw/zinc/46/77/72/352467772.db2.gz VZAYRFOOMSHRDF-VIFPVBQESA-N 2 2 179.267 1.399 10 0 ADAELP CC1(C)C[C@@]2(CC[NH2+]1)[NH2+]CCS2 575511630 352467819 /nfs/dbraw/zinc/46/78/19/352467819.db2.gz HBKLWINGSCRXDK-VIFPVBQESA-N 2 2 186.324 1.181 10 0 ADAELP Cc1[nH+]cc([C@H]2[NH2+]CC2(C)C)n1C 575511704 352468110 /nfs/dbraw/zinc/46/81/10/352468110.db2.gz VZAYRFOOMSHRDF-SECBINFHSA-N 2 2 179.267 1.399 10 0 ADAELP Cn1c[nH+]cc1[C@H](F)C(C)(C)[NH3+] 575511930 352469598 /nfs/dbraw/zinc/46/95/98/352469598.db2.gz BDXSGGCGSMOPPZ-ZETCQYMHSA-N 2 2 171.219 1.168 10 0 ADAELP Cn1c[nH+]cc1[C@@H](F)C(C)(C)[NH3+] 575511929 352469628 /nfs/dbraw/zinc/46/96/28/352469628.db2.gz BDXSGGCGSMOPPZ-SSDOTTSWSA-N 2 2 171.219 1.168 10 0 ADAELP Cn1c[nH+]cc1[C@](C)([NH3+])C1CC1 575512219 352470777 /nfs/dbraw/zinc/47/07/77/352470777.db2.gz INDJNFLYDYENRX-SECBINFHSA-N 2 2 165.240 1.004 10 0 ADAELP Cn1c[nH+]cc1[C@@](C)([NH3+])C1CC1 575512220 352470839 /nfs/dbraw/zinc/47/08/39/352470839.db2.gz INDJNFLYDYENRX-VIFPVBQESA-N 2 2 165.240 1.004 10 0 ADAELP CC[C@@](C)([NH3+])c1c[nH+]cn1C 575512210 352470847 /nfs/dbraw/zinc/47/08/47/352470847.db2.gz ILGWFQKVDDQVJM-MRVPVSSYSA-N 2 2 153.229 1.004 10 0 ADAELP CC[C@](C)([NH3+])c1c[nH+]cn1C 575512211 352471074 /nfs/dbraw/zinc/47/10/74/352471074.db2.gz ILGWFQKVDDQVJM-QMMMGPOBSA-N 2 2 153.229 1.004 10 0 ADAELP Cn1c[nH+]cc1[C@]1(F)CC[C@@H]([NH3+])C1 575512266 352471351 /nfs/dbraw/zinc/47/13/51/352471351.db2.gz KTLUSCJHWYICIE-APPZFPTMSA-N 2 2 183.230 1.096 10 0 ADAELP 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352472974 /nfs/dbraw/zinc/47/29/74/352472974.db2.gz QGZLGJBLPLONLK-BDAKNGLRSA-N 2 2 186.324 1.181 10 0 ADAELP C[C@@H]1CC[C@@]([NH3+])(c2c[nH+]cn2C)C1 575512735 352474290 /nfs/dbraw/zinc/47/42/90/352474290.db2.gz UPWYGOBQAXOBDQ-SCZZXKLOSA-N 2 2 179.267 1.394 10 0 ADAELP C[C@H]1CC[C@]([NH3+])(c2c[nH+]cn2C)C1 575512736 352474303 /nfs/dbraw/zinc/47/43/03/352474303.db2.gz UPWYGOBQAXOBDQ-WCBMZHEXSA-N 2 2 179.267 1.394 10 0 ADAELP C[C@@H]1CC[C@]([NH3+])(c2c[nH+]cn2C)C1 575512734 352474380 /nfs/dbraw/zinc/47/43/80/352474380.db2.gz UPWYGOBQAXOBDQ-PSASIEDQSA-N 2 2 179.267 1.394 10 0 ADAELP C[C@H]1CC[C@@]([NH3+])(c2c[nH+]cn2C)C1 575512737 352474437 /nfs/dbraw/zinc/47/44/37/352474437.db2.gz UPWYGOBQAXOBDQ-WPRPVWTQSA-N 2 2 179.267 1.394 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1[C@@H]1CC12CCCC2 575513417 352478139 /nfs/dbraw/zinc/47/81/39/352478139.db2.gz BJASSWJGKRBUKX-NXEZZACHSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1[C@@H]1CC12CCCC2 575513417 352478142 /nfs/dbraw/zinc/47/81/42/352478142.db2.gz BJASSWJGKRBUKX-NXEZZACHSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1[C@H]1CC12CCCC2 575513420 352478208 /nfs/dbraw/zinc/47/82/08/352478208.db2.gz BJASSWJGKRBUKX-ZJUUUORDSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1[C@H]1CC12CCCC2 575513420 352478211 /nfs/dbraw/zinc/47/82/11/352478211.db2.gz BJASSWJGKRBUKX-ZJUUUORDSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CC12CCCC2 575513419 352478342 /nfs/dbraw/zinc/47/83/42/352478342.db2.gz BJASSWJGKRBUKX-VHSXEESVSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1[C@H]1CC12CCCC2 575513418 352478373 /nfs/dbraw/zinc/47/83/73/352478373.db2.gz BJASSWJGKRBUKX-UWVGGRQHSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1CC12CCCC2 575513418 352478375 /nfs/dbraw/zinc/47/83/75/352478375.db2.gz BJASSWJGKRBUKX-UWVGGRQHSA-N 2 2 180.295 1.352 10 0 ADAELP CC1(C)CC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575513728 352479659 /nfs/dbraw/zinc/47/96/59/352479659.db2.gz FVXDLBBIBNLMHD-RKDXNWHRSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)CC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575513723 352479529 /nfs/dbraw/zinc/47/95/29/352479529.db2.gz FVXDLBBIBNLMHD-BDAKNGLRSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)CC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575513723 352479530 /nfs/dbraw/zinc/47/95/30/352479530.db2.gz FVXDLBBIBNLMHD-BDAKNGLRSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)CC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575513728 352479661 /nfs/dbraw/zinc/47/96/61/352479661.db2.gz FVXDLBBIBNLMHD-RKDXNWHRSA-N 2 2 168.284 1.208 10 0 ADAELP C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C 575513764 352479672 /nfs/dbraw/zinc/47/96/72/352479672.db2.gz GJFIYEKKIQRXGV-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C 575513764 352479674 /nfs/dbraw/zinc/47/96/74/352479674.db2.gz GJFIYEKKIQRXGV-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP CC1(C)CC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575513727 352479694 /nfs/dbraw/zinc/47/96/94/352479694.db2.gz FVXDLBBIBNLMHD-IUCAKERBSA-N 2 2 168.284 1.208 10 0 ADAELP 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/nfs/dbraw/zinc/48/28/15/352482815.db2.gz GQLNTXGWMSVAFF-UTLUCORTSA-N 2 2 186.274 1.158 10 0 ADAELP C[C@@H]1CC[C@]1(C[NH3+])[N@@H+]1CC[C@@H](F)C1 575514250 352482862 /nfs/dbraw/zinc/48/28/62/352482862.db2.gz GQLNTXGWMSVAFF-OPRDCNLKSA-N 2 2 186.274 1.158 10 0 ADAELP C[C@@H]1CC[C@]1(C[NH3+])[N@H+]1CC[C@@H](F)C1 575514250 352482865 /nfs/dbraw/zinc/48/28/65/352482865.db2.gz GQLNTXGWMSVAFF-OPRDCNLKSA-N 2 2 186.274 1.158 10 0 ADAELP C[C@@H]1CC[C@]1(C[NH3+])[N@@H+]1CC[C@H](F)C1 575514248 352482986 /nfs/dbraw/zinc/48/29/86/352482986.db2.gz GQLNTXGWMSVAFF-KXUCPTDWSA-N 2 2 186.274 1.158 10 0 ADAELP C[C@@H]1CC[C@]1(C[NH3+])[N@H+]1CC[C@H](F)C1 575514248 352482987 /nfs/dbraw/zinc/48/29/87/352482987.db2.gz GQLNTXGWMSVAFF-KXUCPTDWSA-N 2 2 186.274 1.158 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1[C@@H]1CCC(F)(F)C1 575514324 352483317 /nfs/dbraw/zinc/48/33/17/352483317.db2.gz JELUZIBRMCBSQF-HTQZYQBOSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1[C@@H]1CCC(F)(F)C1 575514324 352483321 /nfs/dbraw/zinc/48/33/21/352483321.db2.gz JELUZIBRMCBSQF-HTQZYQBOSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1[C@H]1CCC(F)(F)C1 575514325 352483498 /nfs/dbraw/zinc/48/34/98/352483498.db2.gz JELUZIBRMCBSQF-JGVFFNPUSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1[C@H]1CCC(F)(F)C1 575514325 352483502 /nfs/dbraw/zinc/48/35/02/352483502.db2.gz JELUZIBRMCBSQF-JGVFFNPUSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1[C@H]1CCC(F)(F)C1 575514327 352483519 /nfs/dbraw/zinc/48/35/19/352483519.db2.gz JELUZIBRMCBSQF-YUMQZZPRSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1CCC(F)(F)C1 575514327 352483523 /nfs/dbraw/zinc/48/35/23/352483523.db2.gz JELUZIBRMCBSQF-YUMQZZPRSA-N 2 2 190.237 1.207 10 0 ADAELP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](F)C1 575514300 352483626 /nfs/dbraw/zinc/48/36/26/352483626.db2.gz HJUWYTFJIMSULA-MRVPVSSYSA-N 2 2 174.263 1.158 10 0 ADAELP CC(C)([NH3+])C[N@H+]1CCC[C@@H](F)C1 575514300 352483628 /nfs/dbraw/zinc/48/36/28/352483628.db2.gz HJUWYTFJIMSULA-MRVPVSSYSA-N 2 2 174.263 1.158 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCC(F)(F)C1 575514326 352483704 /nfs/dbraw/zinc/48/37/04/352483704.db2.gz JELUZIBRMCBSQF-SFYZADRCSA-N 2 2 190.237 1.207 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCC(F)(F)C1 575514326 352483706 /nfs/dbraw/zinc/48/37/06/352483706.db2.gz JELUZIBRMCBSQF-SFYZADRCSA-N 2 2 190.237 1.207 10 0 ADAELP CC(C)([NH3+])C[N@@H+]1CCC[C@H](F)C1 575514405 352483774 /nfs/dbraw/zinc/48/37/74/352483774.db2.gz HJUWYTFJIMSULA-QMMMGPOBSA-N 2 2 174.263 1.158 10 0 ADAELP CC(C)([NH3+])C[N@H+]1CCC[C@H](F)C1 575514405 352483778 /nfs/dbraw/zinc/48/37/78/352483778.db2.gz HJUWYTFJIMSULA-QMMMGPOBSA-N 2 2 174.263 1.158 10 0 ADAELP CC1(C[N@@H+]2CCC[C@H](F)C2)C[NH2+]C1 575514935 352485899 /nfs/dbraw/zinc/48/58/99/352485899.db2.gz LHNVXRAIHSPCOU-VIFPVBQESA-N 2 2 186.274 1.030 10 0 ADAELP CC1(C[N@H+]2CCC[C@H](F)C2)C[NH2+]C1 575514935 352485901 /nfs/dbraw/zinc/48/59/01/352485901.db2.gz LHNVXRAIHSPCOU-VIFPVBQESA-N 2 2 186.274 1.030 10 0 ADAELP CC1(C[N@@H+]2CCC[C@@H](F)C2)C[NH2+]C1 575514933 352485924 /nfs/dbraw/zinc/48/59/24/352485924.db2.gz LHNVXRAIHSPCOU-SECBINFHSA-N 2 2 186.274 1.030 10 0 ADAELP CC1(C[N@H+]2CCC[C@@H](F)C2)C[NH2+]C1 575514933 352485928 /nfs/dbraw/zinc/48/59/28/352485928.db2.gz LHNVXRAIHSPCOU-SECBINFHSA-N 2 2 186.274 1.030 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](F)C1 575515101 352486636 /nfs/dbraw/zinc/48/66/36/352486636.db2.gz MNBIKILKTHNGAB-OPRDCNLKSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](F)C1 575515098 352486502 /nfs/dbraw/zinc/48/65/02/352486502.db2.gz MNBIKILKTHNGAB-IVZWLZJFSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](F)C1 575515098 352486504 /nfs/dbraw/zinc/48/65/04/352486504.db2.gz MNBIKILKTHNGAB-IVZWLZJFSA-N 2 2 186.274 1.300 10 0 ADAELP C[C@@H]1C[C@H]([NH+]2CCC(F)CC2)C[NH2+]1 575515021 352486577 /nfs/dbraw/zinc/48/65/77/352486577.db2.gz MECZTSHCHNTYNM-SCZZXKLOSA-N 2 2 186.274 1.171 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H](F)C1 575515101 352486639 /nfs/dbraw/zinc/48/66/39/352486639.db2.gz MNBIKILKTHNGAB-OPRDCNLKSA-N 2 2 186.274 1.300 10 0 ADAELP C[C@H]1C[C@@H]([NH+]2CCC(F)CC2)C[NH2+]1 575515024 352486781 /nfs/dbraw/zinc/48/67/81/352486781.db2.gz MECZTSHCHNTYNM-WCBMZHEXSA-N 2 2 186.274 1.171 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H](F)C1 575515094 352486867 /nfs/dbraw/zinc/48/68/67/352486867.db2.gz MNBIKILKTHNGAB-AEJSXWLSSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](F)C1 575515094 352486870 /nfs/dbraw/zinc/48/68/70/352486870.db2.gz MNBIKILKTHNGAB-AEJSXWLSSA-N 2 2 186.274 1.300 10 0 ADAELP C[C@H]1C[C@H]([NH+]2CCC(F)CC2)C[NH2+]1 575515032 352486880 /nfs/dbraw/zinc/48/68/80/352486880.db2.gz MECZTSHCHNTYNM-WPRPVWTQSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1C[C@@H]([NH+]2CCC(F)CC2)C[NH2+]1 575515018 352486954 /nfs/dbraw/zinc/48/69/54/352486954.db2.gz MECZTSHCHNTYNM-PSASIEDQSA-N 2 2 186.274 1.171 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H](F)C1 575515096 352486961 /nfs/dbraw/zinc/48/69/61/352486961.db2.gz MNBIKILKTHNGAB-BBBLOLIVSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H](F)C1 575515096 352486965 /nfs/dbraw/zinc/48/69/65/352486965.db2.gz MNBIKILKTHNGAB-BBBLOLIVSA-N 2 2 186.274 1.300 10 0 ADAELP [NH3+]CC1([N@@H+]2CC[C@H](F)C2)CCCC1 575515504 352488905 /nfs/dbraw/zinc/48/89/05/352488905.db2.gz PMMYPFVDLKUNBY-VIFPVBQESA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]CC1([N@H+]2CC[C@H](F)C2)CCCC1 575515504 352488909 /nfs/dbraw/zinc/48/89/09/352488909.db2.gz PMMYPFVDLKUNBY-VIFPVBQESA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]C1(C[N@@H+]2CCC[C@@H](F)C2)CCC1 575515500 352489294 /nfs/dbraw/zinc/48/92/94/352489294.db2.gz PLYSRPBIKBWBSF-SECBINFHSA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]C1(C[N@@H+]2CCC[C@H](F)C2)CCC1 575515502 352489013 /nfs/dbraw/zinc/48/90/13/352489013.db2.gz PLYSRPBIKBWBSF-VIFPVBQESA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]C1(C[N@H+]2CCC[C@H](F)C2)CCC1 575515502 352489014 /nfs/dbraw/zinc/48/90/14/352489014.db2.gz PLYSRPBIKBWBSF-VIFPVBQESA-N 2 2 186.274 1.302 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1[NH+]1CCC(F)CC1 575515562 352489908 /nfs/dbraw/zinc/48/99/08/352489908.db2.gz RAZWIHWFMCVDIF-PSASIEDQSA-N 2 2 186.274 1.171 10 0 ADAELP [NH3+]C1(C[N@H+]2CCC[C@@H](F)C2)CCC1 575515500 352489296 /nfs/dbraw/zinc/48/92/96/352489296.db2.gz PLYSRPBIKBWBSF-SECBINFHSA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]CC1([N@@H+]2CC[C@@H](F)C2)CCCC1 575515503 352489314 /nfs/dbraw/zinc/48/93/14/352489314.db2.gz PMMYPFVDLKUNBY-SECBINFHSA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]CC1([N@H+]2CC[C@@H](F)C2)CCCC1 575515503 352489316 /nfs/dbraw/zinc/48/93/16/352489316.db2.gz PMMYPFVDLKUNBY-SECBINFHSA-N 2 2 186.274 1.302 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1[NH+]1CCC(F)CC1 575515563 352489783 /nfs/dbraw/zinc/48/97/83/352489783.db2.gz RAZWIHWFMCVDIF-SCZZXKLOSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[NH+]1CCC(F)CC1 575515616 352489817 /nfs/dbraw/zinc/48/98/17/352489817.db2.gz RAZWIHWFMCVDIF-WCBMZHEXSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[NH+]1CCC(F)CC1 575515619 352489931 /nfs/dbraw/zinc/48/99/31/352489931.db2.gz RAZWIHWFMCVDIF-WPRPVWTQSA-N 2 2 186.274 1.171 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@H](F)C1 575515868 352491286 /nfs/dbraw/zinc/49/12/86/352491286.db2.gz VLAJAEWRFVCKQR-CIUDSAMLSA-N 2 2 174.263 1.156 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@H](F)C1 575515868 352491288 /nfs/dbraw/zinc/49/12/88/352491288.db2.gz VLAJAEWRFVCKQR-CIUDSAMLSA-N 2 2 174.263 1.156 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC[C@@H](F)C1 575515870 352491335 /nfs/dbraw/zinc/49/13/35/352491335.db2.gz VLAJAEWRFVCKQR-DJLDLDEBSA-N 2 2 174.263 1.156 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC[C@@H](F)C1 575515870 352491338 /nfs/dbraw/zinc/49/13/38/352491338.db2.gz VLAJAEWRFVCKQR-DJLDLDEBSA-N 2 2 174.263 1.156 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCC[C@@H](F)C1 575515872 352491359 /nfs/dbraw/zinc/49/13/59/352491359.db2.gz VLAJAEWRFVCKQR-XHNCKOQMSA-N 2 2 174.263 1.156 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@@H](F)C1 575515872 352491360 /nfs/dbraw/zinc/49/13/60/352491360.db2.gz VLAJAEWRFVCKQR-XHNCKOQMSA-N 2 2 174.263 1.156 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCC[C@H](F)C1 575515873 352491467 /nfs/dbraw/zinc/49/14/67/352491467.db2.gz VLAJAEWRFVCKQR-YIZRAAEISA-N 2 2 174.263 1.156 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC[C@H](F)C1 575515873 352491469 /nfs/dbraw/zinc/49/14/69/352491469.db2.gz VLAJAEWRFVCKQR-YIZRAAEISA-N 2 2 174.263 1.156 10 0 ADAELP FCC1CC[NH+]([C@@H]2CC[NH2+]C2)CC1 575516176 352492541 /nfs/dbraw/zinc/49/25/41/352492541.db2.gz XLCUSBJGZLJAHC-SNVBAGLBSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[NH+]1CCC(F)CC1 575516230 352492589 /nfs/dbraw/zinc/49/25/89/352492589.db2.gz YGLJXOZFTUTOCQ-WCBMZHEXSA-N 2 2 186.274 1.028 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[NH+]1CCC(F)CC1 575516228 352492619 /nfs/dbraw/zinc/49/26/19/352492619.db2.gz YGLJXOZFTUTOCQ-SCZZXKLOSA-N 2 2 186.274 1.028 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[NH+]1CCC(F)CC1 575516226 352492700 /nfs/dbraw/zinc/49/27/00/352492700.db2.gz YGLJXOZFTUTOCQ-PSASIEDQSA-N 2 2 186.274 1.028 10 0 ADAELP C[C@H]1C[NH2+]C[C@@H]1[NH+]1CCC(F)CC1 575516231 352492796 /nfs/dbraw/zinc/49/27/96/352492796.db2.gz YGLJXOZFTUTOCQ-WPRPVWTQSA-N 2 2 186.274 1.028 10 0 ADAELP FCC1CC[NH+]([C@H]2CC[NH2+]C2)CC1 575516173 352492905 /nfs/dbraw/zinc/49/29/05/352492905.db2.gz XLCUSBJGZLJAHC-JTQLQIEISA-N 2 2 186.274 1.030 10 0 ADAELP [NH3+]C1(C[NH+]2CCC2)CC2(CCC2)C1 575516765 352494103 /nfs/dbraw/zinc/49/41/03/352494103.db2.gz FBKSOMVTTGVKOT-UHFFFAOYSA-N 2 2 180.295 1.354 10 0 ADAELP C[C@]1(C[N@@H+]2CC[C@@H](F)C2)CC[NH2+]C1 575517519 352497331 /nfs/dbraw/zinc/49/73/31/352497331.db2.gz KAHLLCAASJZXHN-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@]1(C[N@H+]2CC[C@@H](F)C2)CC[NH2+]C1 575517519 352497334 /nfs/dbraw/zinc/49/73/34/352497334.db2.gz KAHLLCAASJZXHN-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@]1(C[N@@H+]2CC[C@H](F)C2)CC[NH2+]C1 575517515 352497523 /nfs/dbraw/zinc/49/75/23/352497523.db2.gz KAHLLCAASJZXHN-UWVGGRQHSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@]1(C[N@H+]2CC[C@H](F)C2)CC[NH2+]C1 575517515 352497526 /nfs/dbraw/zinc/49/75/26/352497526.db2.gz KAHLLCAASJZXHN-UWVGGRQHSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@@]1(C[N@@H+]2CC[C@@H](F)C2)CC[NH2+]C1 575517514 352497546 /nfs/dbraw/zinc/49/75/46/352497546.db2.gz KAHLLCAASJZXHN-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@@]1(C[N@H+]2CC[C@@H](F)C2)CC[NH2+]C1 575517514 352497548 /nfs/dbraw/zinc/49/75/48/352497548.db2.gz KAHLLCAASJZXHN-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@@]1(C[N@@H+]2CC[C@H](F)C2)CC[NH2+]C1 575517517 352497581 /nfs/dbraw/zinc/49/75/81/352497581.db2.gz KAHLLCAASJZXHN-VHSXEESVSA-N 2 2 186.274 1.030 10 0 ADAELP C[C@@]1(C[N@H+]2CC[C@H](F)C2)CC[NH2+]C1 575517517 352497584 /nfs/dbraw/zinc/49/75/84/352497584.db2.gz KAHLLCAASJZXHN-VHSXEESVSA-N 2 2 186.274 1.030 10 0 ADAELP [NH3+]C1(C[N@@H+]2CC[C@H](F)C2)CCCC1 575518398 352502166 /nfs/dbraw/zinc/50/21/66/352502166.db2.gz VCMSGGWWSBBEDW-VIFPVBQESA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]C1(C[N@H+]2CC[C@H](F)C2)CCCC1 575518398 352502167 /nfs/dbraw/zinc/50/21/67/352502167.db2.gz VCMSGGWWSBBEDW-VIFPVBQESA-N 2 2 186.274 1.302 10 0 ADAELP [NH3+]C1(C[NH+]2CC3(CC3)C2)CCCC1 575520325 352511945 /nfs/dbraw/zinc/51/19/45/352511945.db2.gz KQQFRHFZYAYRTN-UHFFFAOYSA-N 2 2 180.295 1.354 10 0 ADAELP C[C@]1(C[N@@H+]2CC[C@H]([NH3+])C2)CC1(F)F 575520476 352512303 /nfs/dbraw/zinc/51/23/03/352512303.db2.gz PKMRBBINQJCKFT-JGVFFNPUSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@]1(C[N@H+]2CC[C@H]([NH3+])C2)CC1(F)F 575520476 352512306 /nfs/dbraw/zinc/51/23/06/352512306.db2.gz PKMRBBINQJCKFT-JGVFFNPUSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@]1(C[N@@H+]2CC[C@H]([NH3+])C2)CC1(F)F 575520478 352512424 /nfs/dbraw/zinc/51/24/24/352512424.db2.gz PKMRBBINQJCKFT-YUMQZZPRSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@]1(C[N@H+]2CC[C@H]([NH3+])C2)CC1(F)F 575520478 352512427 /nfs/dbraw/zinc/51/24/27/352512427.db2.gz PKMRBBINQJCKFT-YUMQZZPRSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@]1(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1(F)F 575520475 352512449 /nfs/dbraw/zinc/51/24/49/352512449.db2.gz PKMRBBINQJCKFT-HTQZYQBOSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@]1(C[N@H+]2CC[C@@H]([NH3+])C2)CC1(F)F 575520475 352512454 /nfs/dbraw/zinc/51/24/54/352512454.db2.gz PKMRBBINQJCKFT-HTQZYQBOSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@]1(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1(F)F 575520477 352512569 /nfs/dbraw/zinc/51/25/69/352512569.db2.gz PKMRBBINQJCKFT-SFYZADRCSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@]1(C[N@H+]2CC[C@@H]([NH3+])C2)CC1(F)F 575520477 352512573 /nfs/dbraw/zinc/51/25/73/352512573.db2.gz PKMRBBINQJCKFT-SFYZADRCSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1C[N@H+](C)C(C)(C)C1 575522544 352521734 /nfs/dbraw/zinc/52/17/34/352521734.db2.gz GCDWUQHVAUKRRD-BBBLOLIVSA-N 2 2 182.311 1.467 10 0 ADAELP 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165.240 1.279 10 0 ADAELP CC(C)n1cc[nH+]c1[C@H]1C[C@H]1[NH3+] 575525769 352537417 /nfs/dbraw/zinc/53/74/17/352537417.db2.gz MSEFZVWZWMONFV-JGVFFNPUSA-N 2 2 165.240 1.279 10 0 ADAELP CC(C)n1cc[nH+]c1[C@@H]1C[C@H]1[NH3+] 575525767 352537425 /nfs/dbraw/zinc/53/74/25/352537425.db2.gz MSEFZVWZWMONFV-HTQZYQBOSA-N 2 2 165.240 1.279 10 0 ADAELP C1C[NH2+]CC[N@H+](C2(C3CC3)CC2)C1 575526215 352538415 /nfs/dbraw/zinc/53/84/15/352538415.db2.gz QVBMETPKPLUGEU-UHFFFAOYSA-N 2 2 180.295 1.224 10 0 ADAELP C1C[NH2+]CC[N@@H+](C2(C3CC3)CC2)C1 575526215 352538420 /nfs/dbraw/zinc/53/84/20/352538420.db2.gz QVBMETPKPLUGEU-UHFFFAOYSA-N 2 2 180.295 1.224 10 0 ADAELP [NH3+]CC[C@H]1CCc2[nH+]cccc2C1 575526241 352538691 /nfs/dbraw/zinc/53/86/91/352538691.db2.gz RHLTVGKBHIBDNV-SECBINFHSA-N 2 2 176.263 1.535 10 0 ADAELP [NH3+]CC[C@@H]1CCc2[nH+]cccc2C1 575526242 352538955 /nfs/dbraw/zinc/53/89/55/352538955.db2.gz RHLTVGKBHIBDNV-VIFPVBQESA-N 2 2 176.263 1.535 10 0 ADAELP C[C@H]([NH3+])[C@@H]1CCc2[nH+]cccc2C1 575526352 352539401 /nfs/dbraw/zinc/53/94/01/352539401.db2.gz TWEJGPAVBBYACF-DTWKUNHWSA-N 2 2 176.263 1.534 10 0 ADAELP C[C@H]([NH3+])[C@H]1CCc2[nH+]cccc2C1 575526354 352539606 /nfs/dbraw/zinc/53/96/06/352539606.db2.gz TWEJGPAVBBYACF-IUCAKERBSA-N 2 2 176.263 1.534 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCc2[nH+]cccc2C1 575526340 352539613 /nfs/dbraw/zinc/53/96/13/352539613.db2.gz TWEJGPAVBBYACF-BDAKNGLRSA-N 2 2 176.263 1.534 10 0 ADAELP C[C@@H]([NH3+])[C@@H]1CCc2[nH+]cccc2C1 575526355 352539686 /nfs/dbraw/zinc/53/96/86/352539686.db2.gz TWEJGPAVBBYACF-RKDXNWHRSA-N 2 2 176.263 1.534 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1C1CC2(CCC2)C1 575526503 352540315 /nfs/dbraw/zinc/54/03/15/352540315.db2.gz UEDLXGRKWPFONS-SECBINFHSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1C1CC2(CCC2)C1 575526503 352540317 /nfs/dbraw/zinc/54/03/17/352540317.db2.gz UEDLXGRKWPFONS-SECBINFHSA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1C1CC2(CCC2)C1 575526504 352540410 /nfs/dbraw/zinc/54/04/10/352540410.db2.gz UEDLXGRKWPFONS-VIFPVBQESA-N 2 2 180.295 1.352 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1C1CC2(CCC2)C1 575526504 352540412 /nfs/dbraw/zinc/54/04/12/352540412.db2.gz UEDLXGRKWPFONS-VIFPVBQESA-N 2 2 180.295 1.352 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@H]1CC12CC2 575532751 352567343 /nfs/dbraw/zinc/56/73/43/352567343.db2.gz ATCGMLWRIPYXMK-VXNVDRBHSA-N 2 2 177.251 1.220 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@@H]1CC12CC2 575532750 352567390 /nfs/dbraw/zinc/56/73/90/352567390.db2.gz ATCGMLWRIPYXMK-IONNQARKSA-N 2 2 177.251 1.220 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@H]1CC12CC2 575532748 352567483 /nfs/dbraw/zinc/56/74/83/352567483.db2.gz ATCGMLWRIPYXMK-APPZFPTMSA-N 2 2 177.251 1.220 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@@H]1CC12CC2 575532749 352567552 /nfs/dbraw/zinc/56/75/52/352567552.db2.gz ATCGMLWRIPYXMK-CBAPKCEASA-N 2 2 177.251 1.220 10 0 ADAELP CC1C[NH+](C[C@@H]2C[C@H](C)CC[NH2+]2)C1 575533088 352569104 /nfs/dbraw/zinc/56/91/04/352569104.db2.gz CWYDNTFZBLYYDY-KOLCDFICSA-N 2 2 182.311 1.326 10 0 ADAELP CC1C[NH+](C[C@H]2C[C@H](C)CC[NH2+]2)C1 575533089 352569134 /nfs/dbraw/zinc/56/91/34/352569134.db2.gz CWYDNTFZBLYYDY-MWLCHTKSSA-N 2 2 182.311 1.326 10 0 ADAELP CC1C[NH+](C[C@@H]2C[C@@H](C)CC[NH2+]2)C1 575533090 352569160 /nfs/dbraw/zinc/56/91/60/352569160.db2.gz CWYDNTFZBLYYDY-ONGXEEELSA-N 2 2 182.311 1.326 10 0 ADAELP CC1C[NH+](C[C@H]2C[C@@H](C)CC[NH2+]2)C1 575533087 352569241 /nfs/dbraw/zinc/56/92/41/352569241.db2.gz CWYDNTFZBLYYDY-GXSJLCMTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CC[C@H](c2c[nH+]cn2C)C[NH2+]1 575533142 352569805 /nfs/dbraw/zinc/56/98/05/352569805.db2.gz FGPCOYVQHNTRRV-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP C[C@@H]1CC[C@@H](c2c[nH+]cn2C)C[NH2+]1 575533143 352569859 /nfs/dbraw/zinc/56/98/59/352569859.db2.gz FGPCOYVQHNTRRV-RKDXNWHRSA-N 2 2 179.267 1.276 10 0 ADAELP Cn1c[nH+]cc1-c1ccoc1C[NH3+] 575533095 352569880 /nfs/dbraw/zinc/56/98/80/352569880.db2.gz DDSCCIYEKRQYCR-UHFFFAOYSA-N 2 2 177.207 1.139 10 0 ADAELP C[C@@H]1CC[C@H](c2c[nH+]cn2C)C[NH2+]1 575533140 352569891 /nfs/dbraw/zinc/56/98/91/352569891.db2.gz FGPCOYVQHNTRRV-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP C[C@H]1CC[C@@H](c2c[nH+]cn2C)C[NH2+]1 575533141 352569897 /nfs/dbraw/zinc/56/98/97/352569897.db2.gz FGPCOYVQHNTRRV-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP C[C@H]1CC[NH2+]C[C@@H]1c1c[nH+]cn1C 575533606 352571494 /nfs/dbraw/zinc/57/14/94/352571494.db2.gz JDQFFDWXKGIAHV-IUCAKERBSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@H]1CC[NH2+]C[C@H]1c1c[nH+]cn1C 575533605 352571649 /nfs/dbraw/zinc/57/16/49/352571649.db2.gz JDQFFDWXKGIAHV-DTWKUNHWSA-N 2 2 179.267 1.133 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1c1c[nH+]cn1C 575533604 352571658 /nfs/dbraw/zinc/57/16/58/352571658.db2.gz JDQFFDWXKGIAHV-BDAKNGLRSA-N 2 2 179.267 1.133 10 0 ADAELP CC1=C(c2c[nH+]cn2C)C[NH2+]CC1 575533589 352571682 /nfs/dbraw/zinc/57/16/82/352571682.db2.gz IWKMUSFLMJFIHW-UHFFFAOYSA-N 2 2 177.251 1.187 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1c1c[nH+]cn1C 575533611 352571699 /nfs/dbraw/zinc/57/16/99/352571699.db2.gz JDQFFDWXKGIAHV-RKDXNWHRSA-N 2 2 179.267 1.133 10 0 ADAELP CC1C[NH+](C[C@H]2CCCCC[NH2+]2)C1 575534012 352573366 /nfs/dbraw/zinc/57/33/66/352573366.db2.gz MLNZTHLCQAJEMP-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC1C[NH+](C[C@@H]2CCCCC[NH2+]2)C1 575534013 352573392 /nfs/dbraw/zinc/57/33/92/352573392.db2.gz MLNZTHLCQAJEMP-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC1C[NH+]([C@H](C)[C@@H]2CCC[NH2+]2)C1 575534631 352575785 /nfs/dbraw/zinc/57/57/85/352575785.db2.gz QRKJVWOAVBWWLI-ZJUUUORDSA-N 2 2 168.284 1.079 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@@H]1CCSC1 575534650 352575800 /nfs/dbraw/zinc/57/58/00/352575800.db2.gz RBCFPHJLEXEIIS-VXNVDRBHSA-N 2 2 197.307 1.173 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@H]1CCSC1 575534649 352575810 /nfs/dbraw/zinc/57/58/10/352575810.db2.gz RBCFPHJLEXEIIS-IONNQARKSA-N 2 2 197.307 1.173 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@H]1CCSC1 575534648 352575846 /nfs/dbraw/zinc/57/58/46/352575846.db2.gz RBCFPHJLEXEIIS-CBAPKCEASA-N 2 2 197.307 1.173 10 0 ADAELP CC1C[NH+]([C@@H](C)[C@H]2CCC[NH2+]2)C1 575534630 352576104 /nfs/dbraw/zinc/57/61/04/352576104.db2.gz QRKJVWOAVBWWLI-VHSXEESVSA-N 2 2 168.284 1.079 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@@H]1CCSC1 575534647 352576141 /nfs/dbraw/zinc/57/61/41/352576141.db2.gz RBCFPHJLEXEIIS-APPZFPTMSA-N 2 2 197.307 1.173 10 0 ADAELP CC1C[NH+]([C@@H](C)[C@@H]2CCC[NH2+]2)C1 575534629 352576169 /nfs/dbraw/zinc/57/61/69/352576169.db2.gz QRKJVWOAVBWWLI-UWVGGRQHSA-N 2 2 168.284 1.079 10 0 ADAELP CC1C[NH+]([C@H](C)[C@H]2CCC[NH2+]2)C1 575534628 352576220 /nfs/dbraw/zinc/57/62/20/352576220.db2.gz QRKJVWOAVBWWLI-NXEZZACHSA-N 2 2 168.284 1.079 10 0 ADAELP CC1C[NH+](C[C@@H]2[NH2+]CCC[C@H]2C)C1 575534852 352576456 /nfs/dbraw/zinc/57/64/56/352576456.db2.gz RHSBJGRQAPVBNN-MNOVXSKESA-N 2 2 182.311 1.326 10 0 ADAELP CC1C[NH+](C[C@@H]2[NH2+]CCC[C@@H]2C)C1 575534853 352576522 /nfs/dbraw/zinc/57/65/22/352576522.db2.gz RHSBJGRQAPVBNN-QWRGUYRKSA-N 2 2 182.311 1.326 10 0 ADAELP CC1C[NH+](C[C@H]2[NH2+]CCC[C@H]2C)C1 575534851 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TXFMZTIDUJBSFS-BDAKNGLRSA-N 2 2 179.267 1.133 10 0 ADAELP C[NH2+][C@H]1CCC[C@@H]1c1c[nH+]cn1C 575534928 352577305 /nfs/dbraw/zinc/57/73/05/352577305.db2.gz UKNJSGBCJCLMAV-IUCAKERBSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@H]1CCC[C@H]1c1c[nH+]cn1C 575534926 352577357 /nfs/dbraw/zinc/57/73/57/352577357.db2.gz UKNJSGBCJCLMAV-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@@H]1CCC[C@@H]1c1c[nH+]cn1C 575534927 352577395 /nfs/dbraw/zinc/57/73/95/352577395.db2.gz UKNJSGBCJCLMAV-DTWKUNHWSA-N 2 2 179.267 1.276 10 0 ADAELP C[N@@H+]1CCC[C@H]1[C@H]([NH3+])c1ccsc1 575536746 352586101 /nfs/dbraw/zinc/58/61/01/352586101.db2.gz TWKILZMECXTSKH-VHSXEESVSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@H+]1CCC[C@H]1[C@H]([NH3+])c1ccsc1 575536746 352586102 /nfs/dbraw/zinc/58/61/02/352586102.db2.gz TWKILZMECXTSKH-VHSXEESVSA-N 2 2 196.319 1.842 10 0 ADAELP C[N@@H+]1CCC[C@@H]1[C@@H]([NH3+])c1ccsc1 575536747 352586111 /nfs/dbraw/zinc/58/61/11/352586111.db2.gz TWKILZMECXTSKH-ZJUUUORDSA-N 2 2 196.319 1.842 10 0 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575539407 352599247 /nfs/dbraw/zinc/59/92/47/352599247.db2.gz VLUMLVZYJODZFN-UWVGGRQHSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@@H]1CC[C@@H](C)[NH+]1CC1([NH3+])CCC1 575539406 352599382 /nfs/dbraw/zinc/59/93/82/352599382.db2.gz VLUMLVZYJODZFN-NXEZZACHSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1CC1([NH3+])CCC1 575539405 352599404 /nfs/dbraw/zinc/59/94/04/352599404.db2.gz VLUMLVZYJODZFN-AOOOYVTPSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1CC1([NH3+])CCC1 575539405 352599407 /nfs/dbraw/zinc/59/94/07/352599407.db2.gz VLUMLVZYJODZFN-AOOOYVTPSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CC[N@@H+]1Cc1cc(N)cc[nH+]1 575539441 352599452 /nfs/dbraw/zinc/59/94/52/352599452.db2.gz WRUWCLQDNHCXOO-QMMMGPOBSA-N 2 2 177.251 1.258 10 0 ADAELP C[C@H]1CC[N@H+]1Cc1cc(N)cc[nH+]1 575539441 352599456 /nfs/dbraw/zinc/59/94/56/352599456.db2.gz WRUWCLQDNHCXOO-QMMMGPOBSA-N 2 2 177.251 1.258 10 0 ADAELP Cc1[nH+]cccc1NCC1C[NH2+]C1 575539741 352601471 /nfs/dbraw/zinc/60/14/71/352601471.db2.gz BAXDKNVHHITDNB-UHFFFAOYSA-N 2 2 177.251 1.021 10 0 ADAELP CC(C)([NH3+])CC1=CSC2=[NH+]CCN12 575540107 352602272 /nfs/dbraw/zinc/60/22/72/352602272.db2.gz MIOAMGFYCBCOHY-UHFFFAOYSA-N 2 2 197.307 1.374 10 0 ADAELP Cc1cc[nH+]cc1NCC1C[NH2+]C1 575539993 352602382 /nfs/dbraw/zinc/60/23/82/352602382.db2.gz INVIRJPRLBDVIC-UHFFFAOYSA-N 2 2 177.251 1.021 10 0 ADAELP Cc1ccc(NCC2C[NH2+]C2)c[nH+]1 575540198 352602886 /nfs/dbraw/zinc/60/28/86/352602886.db2.gz OFQUXAPOJMHHLG-UHFFFAOYSA-N 2 2 177.251 1.021 10 0 ADAELP Cc1c[nH+]cc(NCC2C[NH2+]C2)c1 575540385 352603436 /nfs/dbraw/zinc/60/34/36/352603436.db2.gz UVSXVZLAFVXNJG-UHFFFAOYSA-N 2 2 177.251 1.021 10 0 ADAELP C1CC[C@@H](C[N@@H+]2CC[C@H]3C[C@H]32)[NH2+]C1 575541013 352605775 /nfs/dbraw/zinc/60/57/75/352605775.db2.gz CLKINDMJGOIAOQ-GARJFASQSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC[C@@H](C[N@H+]2CC[C@H]3C[C@H]32)[NH2+]C1 575541013 352605779 /nfs/dbraw/zinc/60/57/79/352605779.db2.gz CLKINDMJGOIAOQ-GARJFASQSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC[C@@H](C[N@@H+]2CC[C@@H]3C[C@@H]32)[NH2+]C1 575541015 352605946 /nfs/dbraw/zinc/60/59/46/352605946.db2.gz CLKINDMJGOIAOQ-VWYCJHECSA-N 2 2 180.295 1.223 10 0 ADAELP C1CC[C@@H](C[N@H+]2CC[C@@H]3C[C@@H]32)[NH2+]C1 575541015 352605948 /nfs/dbraw/zinc/60/59/48/352605948.db2.gz CLKINDMJGOIAOQ-VWYCJHECSA-N 2 2 180.295 1.223 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1CCC1(C)C 575543308 352614268 /nfs/dbraw/zinc/61/42/68/352614268.db2.gz OODZRVXITYLOJF-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1CCC1(C)C 575543308 352614269 /nfs/dbraw/zinc/61/42/69/352614269.db2.gz OODZRVXITYLOJF-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]C[C@@H](C)[N@@H+]1CCC1(C)C 575543307 352614284 /nfs/dbraw/zinc/61/42/84/352614284.db2.gz OODZRVXITYLOJF-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+]C[C@@H](C)[N@H+]1CCC1(C)C 575543307 352614287 /nfs/dbraw/zinc/61/42/87/352614287.db2.gz OODZRVXITYLOJF-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1[C@H]1C[NH2+]C[C@H]1C 575543799 352615840 /nfs/dbraw/zinc/61/58/40/352615840.db2.gz AONDSCIOWAWMBM-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1C[NH2+]C[C@H]1C 575543799 352615844 /nfs/dbraw/zinc/61/58/44/352615844.db2.gz AONDSCIOWAWMBM-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1C[NH2+]C[C@H]1C 575543796 352615875 /nfs/dbraw/zinc/61/58/75/352615875.db2.gz AONDSCIOWAWMBM-CHWFTXMASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1C[NH2+]C[C@H]1C 575543796 352615878 /nfs/dbraw/zinc/61/58/78/352615878.db2.gz AONDSCIOWAWMBM-CHWFTXMASA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[NH+]1[C@H](C)CC[C@H]1C 575543797 352616067 /nfs/dbraw/zinc/61/60/67/352616067.db2.gz AONDSCIOWAWMBM-DBIOUOCHSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1CC[C@H](C)[NH+]1[C@H]1C[NH2+]C[C@H]1C 575543798 352616083 /nfs/dbraw/zinc/61/60/83/352616083.db2.gz AONDSCIOWAWMBM-RCWTZXSCSA-N 2 2 182.311 1.467 10 0 ADAELP Cc1[nH+]c(C2=C[C@@H]([NH3+])CC2)cn1C 575544828 352619261 /nfs/dbraw/zinc/61/92/61/352619261.db2.gz IICOKXAORPGJOD-VIFPVBQESA-N 2 2 177.251 1.233 10 0 ADAELP CC1C[NH+]([C@H]2CCCCC[NH2+]C2)C1 575544858 352619327 /nfs/dbraw/zinc/61/93/27/352619327.db2.gz BSAZIKLCMNFJPL-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CC1C[NH+]([C@@H]2CCCCC[NH2+]C2)C1 575544856 352619334 /nfs/dbraw/zinc/61/93/34/352619334.db2.gz BSAZIKLCMNFJPL-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[N@@H+]1CCCCC[C@H]([NH3+])C1 575544753 352619349 /nfs/dbraw/zinc/61/93/49/352619349.db2.gz AWUNQXRZPXMWNO-JTQLQIEISA-N 2 2 170.300 1.598 10 0 ADAELP CC(C)[N@H+]1CCCCC[C@H]([NH3+])C1 575544753 352619352 /nfs/dbraw/zinc/61/93/52/352619352.db2.gz AWUNQXRZPXMWNO-JTQLQIEISA-N 2 2 170.300 1.598 10 0 ADAELP Cc1[nH+]c(C2=C[C@H]([NH3+])CC2)cn1C 575544825 352619584 /nfs/dbraw/zinc/61/95/84/352619584.db2.gz IICOKXAORPGJOD-SECBINFHSA-N 2 2 177.251 1.233 10 0 ADAELP CC(C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 575544754 352619663 /nfs/dbraw/zinc/61/96/63/352619663.db2.gz AWUNQXRZPXMWNO-SNVBAGLBSA-N 2 2 170.300 1.598 10 0 ADAELP CC(C)[N@H+]1CCCCC[C@@H]([NH3+])C1 575544754 352619665 /nfs/dbraw/zinc/61/96/65/352619665.db2.gz AWUNQXRZPXMWNO-SNVBAGLBSA-N 2 2 170.300 1.598 10 0 ADAELP [NH3+][C@H]1CCCCC[N@H+](CCF)C1 575544969 352620069 /nfs/dbraw/zinc/62/00/69/352620069.db2.gz CZHJLGPAOTZDHK-VIFPVBQESA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+][C@H]1CCCCC[N@@H+](CCF)C1 575544969 352620070 /nfs/dbraw/zinc/62/00/70/352620070.db2.gz CZHJLGPAOTZDHK-VIFPVBQESA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+][C@@H]1CCCCC[N@H+](CCF)C1 575544967 352620090 /nfs/dbraw/zinc/62/00/90/352620090.db2.gz CZHJLGPAOTZDHK-SECBINFHSA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+][C@@H]1CCCCC[N@@H+](CCF)C1 575544967 352620092 /nfs/dbraw/zinc/62/00/92/352620092.db2.gz CZHJLGPAOTZDHK-SECBINFHSA-N 2 2 174.263 1.159 10 0 ADAELP CCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 575545309 352621250 /nfs/dbraw/zinc/62/12/50/352621250.db2.gz GJKDSLUYIWARRM-SNVBAGLBSA-N 2 2 170.300 1.600 10 0 ADAELP 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/nfs/dbraw/zinc/64/14/81/352641481.db2.gz XBIFSVQTWIPJOQ-VWYCJHECSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CCC[C@H]1C 575551374 352641485 /nfs/dbraw/zinc/64/14/85/352641485.db2.gz XBIFSVQTWIPJOQ-VWYCJHECSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1[N@@H+]1CC[C@H]1C 575551383 352641515 /nfs/dbraw/zinc/64/15/15/352641515.db2.gz XDRRDICJONXQIC-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CC[C@H]1C 575551383 352641519 /nfs/dbraw/zinc/64/15/19/352641519.db2.gz XDRRDICJONXQIC-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]1[NH+]1CC2(CC2)C1 575551404 352641559 /nfs/dbraw/zinc/64/15/59/352641559.db2.gz XOVZLCHLOGQQJZ-VHSXEESVSA-N 2 2 180.295 1.223 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CC[C@@H]1C 575551376 352641577 /nfs/dbraw/zinc/64/15/77/352641577.db2.gz XDRRDICJONXQIC-GUBZILKMSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1[NH+]1CC2(CC2)C1 575551400 352641716 /nfs/dbraw/zinc/64/17/16/352641716.db2.gz XOVZLCHLOGQQJZ-UWVGGRQHSA-N 2 2 180.295 1.223 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]1[N@H+]1CCC[C@H]1C 575551372 352641724 /nfs/dbraw/zinc/64/17/24/352641724.db2.gz XBIFSVQTWIPJOQ-OUAUKWLOSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@H]1[NH2+]CC[C@H]1[NH+]1CC2(CC2)C1 575551399 352641754 /nfs/dbraw/zinc/64/17/54/352641754.db2.gz XOVZLCHLOGQQJZ-NXEZZACHSA-N 2 2 180.295 1.223 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1[N@@H+]1CCC[C@@H]1C 575551361 352641805 /nfs/dbraw/zinc/64/18/05/352641805.db2.gz XBIFSVQTWIPJOQ-DCAQKATOSA-N 2 2 182.311 1.611 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@@H]1[N@H+]1CCC[C@@H]1C 575551361 352641806 /nfs/dbraw/zinc/64/18/06/352641806.db2.gz XBIFSVQTWIPJOQ-DCAQKATOSA-N 2 2 182.311 1.611 10 0 ADAELP Cc1[nH+]cc([C@@]2([NH3+])CC[C@H]2C)n1C 575554148 352651749 /nfs/dbraw/zinc/65/17/49/352651749.db2.gz DKWJIJLBECDFSJ-GMSGAONNSA-N 2 2 179.267 1.312 10 0 ADAELP Cc1[nH+]cc([C@@]2([NH3+])CC[C@@H]2C)n1C 575554155 352651682 /nfs/dbraw/zinc/65/16/82/352651682.db2.gz DKWJIJLBECDFSJ-OIBJUYFYSA-N 2 2 179.267 1.312 10 0 ADAELP Cc1[nH+]cc([C@]2([NH3+])CC[C@H]2C)n1C 575554156 352652042 /nfs/dbraw/zinc/65/20/42/352652042.db2.gz DKWJIJLBECDFSJ-XCBNKYQSSA-N 2 2 179.267 1.312 10 0 ADAELP Cc1[nH+]cc([C@]2([NH3+])CC[C@@H]2C)n1C 575554167 352651931 /nfs/dbraw/zinc/65/19/31/352651931.db2.gz DKWJIJLBECDFSJ-XVKPBYJWSA-N 2 2 179.267 1.312 10 0 ADAELP CC1CC([NH3+])(c2c[nH+]cn2C)C1 575554842 352653943 /nfs/dbraw/zinc/65/39/43/352653943.db2.gz HFCHXTBTNISOBC-UHFFFAOYSA-N 2 2 165.240 1.004 10 0 ADAELP C[C@@H]1CC[C@]1([NH3+])Cc1[nH+]ccn1C 575555228 352655138 /nfs/dbraw/zinc/65/51/38/352655138.db2.gz JCNXMXIRFXXBQR-SCZZXKLOSA-N 2 2 179.267 1.090 10 0 ADAELP C[C@H]1CC[C@@]1([NH3+])Cc1[nH+]ccn1C 575555235 352655201 /nfs/dbraw/zinc/65/52/01/352655201.db2.gz JCNXMXIRFXXBQR-WCBMZHEXSA-N 2 2 179.267 1.090 10 0 ADAELP C[C@H]1CC[C@]1([NH3+])Cc1[nH+]ccn1C 575555240 352655803 /nfs/dbraw/zinc/65/58/03/352655803.db2.gz JCNXMXIRFXXBQR-WPRPVWTQSA-N 2 2 179.267 1.090 10 0 ADAELP CC1CC([NH3+])(Cc2[nH+]ccn2C)C1 575555269 352655889 /nfs/dbraw/zinc/65/58/89/352655889.db2.gz JNTDHRQDLXTIFJ-UHFFFAOYSA-N 2 2 179.267 1.090 10 0 ADAELP C[C@H]1CCC[C@]1([NH3+])c1c[nH+]cn1C 575555640 352656892 /nfs/dbraw/zinc/65/68/92/352656892.db2.gz LKLKBFALXVIFKS-WCBMZHEXSA-N 2 2 179.267 1.394 10 0 ADAELP C[C@H]1CCC[C@@]1([NH3+])c1c[nH+]cn1C 575555641 352656922 /nfs/dbraw/zinc/65/69/22/352656922.db2.gz LKLKBFALXVIFKS-WPRPVWTQSA-N 2 2 179.267 1.394 10 0 ADAELP C[C@@H]1CCC[C@]1([NH3+])c1c[nH+]cn1C 575555638 352656997 /nfs/dbraw/zinc/65/69/97/352656997.db2.gz LKLKBFALXVIFKS-PSASIEDQSA-N 2 2 179.267 1.394 10 0 ADAELP C[C@@H]1CCC[C@@]1([NH3+])c1c[nH+]cn1C 575555639 352657268 /nfs/dbraw/zinc/65/72/68/352657268.db2.gz LKLKBFALXVIFKS-SCZZXKLOSA-N 2 2 179.267 1.394 10 0 ADAELP Cc1cc(CC2([NH3+])CC2)cc[nH+]1 575556324 352659808 /nfs/dbraw/zinc/65/98/08/352659808.db2.gz ALMQHNAFQIJYAH-UHFFFAOYSA-N 2 2 162.236 1.424 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[NH+]1CC(C2CC2)C1 575556480 352660387 /nfs/dbraw/zinc/66/03/87/352660387.db2.gz HXZLAGQBNRPEFS-GZMMTYOYSA-N 2 2 180.295 1.079 10 0 ADAELP Cn1cc[nH+]c1C[C@@]1([NH3+])CC1(C)C 575556998 352662435 /nfs/dbraw/zinc/66/24/35/352662435.db2.gz GKXHITNKTAUONO-SNVBAGLBSA-N 2 2 179.267 1.090 10 0 ADAELP Cn1cc[nH+]c1C[C@]1([NH3+])CC1(C)C 575556997 352662531 /nfs/dbraw/zinc/66/25/31/352662531.db2.gz GKXHITNKTAUONO-JTQLQIEISA-N 2 2 179.267 1.090 10 0 ADAELP C[C@@H]1CC[C@@]1([NH3+])c1c[nH+]cn1C 575557289 352662811 /nfs/dbraw/zinc/66/28/11/352662811.db2.gz SFVOOTQIFVCXPE-APPZFPTMSA-N 2 2 165.240 1.004 10 0 ADAELP C[C@H]1CC[C@@]1([NH3+])c1c[nH+]cn1C 575557295 352663568 /nfs/dbraw/zinc/66/35/68/352663568.db2.gz SFVOOTQIFVCXPE-CBAPKCEASA-N 2 2 165.240 1.004 10 0 ADAELP Cc1[nH+]cc(C2([NH3+])CC(C)C2)n1C 575557318 352663598 /nfs/dbraw/zinc/66/35/98/352663598.db2.gz SICNBMLZTGOZEL-UHFFFAOYSA-N 2 2 179.267 1.312 10 0 ADAELP C[C@H]1CC[C@]1([NH3+])c1c[nH+]cn1C 575557299 352663727 /nfs/dbraw/zinc/66/37/27/352663727.db2.gz SFVOOTQIFVCXPE-IONNQARKSA-N 2 2 165.240 1.004 10 0 ADAELP C[C@@H]1CC[C@]1([NH3+])c1c[nH+]cn1C 575557302 352663921 /nfs/dbraw/zinc/66/39/21/352663921.db2.gz SFVOOTQIFVCXPE-VXNVDRBHSA-N 2 2 165.240 1.004 10 0 ADAELP Cn1cc[nH+]c1/C=C1/CCC[NH2+]C1 575559034 352670676 /nfs/dbraw/zinc/67/06/76/352670676.db2.gz FJCHJHDNCRNJHA-CLFYSBASSA-N 2 2 177.251 1.187 10 0 ADAELP Cc1cc(C[C@@]2([NH3+])C[C@@H]2C)cc[nH+]1 575559289 352672233 /nfs/dbraw/zinc/67/22/33/352672233.db2.gz NOWNCBONNFKTTK-KWQFWETISA-N 2 2 176.263 1.670 10 0 ADAELP Cc1cc(C[C@]2([NH3+])C[C@H]2C)cc[nH+]1 575559298 352672323 /nfs/dbraw/zinc/67/23/23/352672323.db2.gz NOWNCBONNFKTTK-LDYMZIIASA-N 2 2 176.263 1.670 10 0 ADAELP Cc1cc(C[C@]2([NH3+])C[C@@H]2C)cc[nH+]1 575559286 352672365 /nfs/dbraw/zinc/67/23/65/352672365.db2.gz NOWNCBONNFKTTK-GZMMTYOYSA-N 2 2 176.263 1.670 10 0 ADAELP Cc1cc(C[C@@]2([NH3+])C[C@H]2C)cc[nH+]1 575559287 352672450 /nfs/dbraw/zinc/67/24/50/352672450.db2.gz NOWNCBONNFKTTK-KCJUWKMLSA-N 2 2 176.263 1.670 10 0 ADAELP CC1(C)C[C@@]1(C)[N@@H+]1CC[C@@H]1C[NH3+] 575560318 352675684 /nfs/dbraw/zinc/67/56/84/352675684.db2.gz KALNIVGGIOULOX-PSASIEDQSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)C[C@@]1(C)[N@H+]1CC[C@@H]1C[NH3+] 575560318 352675686 /nfs/dbraw/zinc/67/56/86/352675686.db2.gz KALNIVGGIOULOX-PSASIEDQSA-N 2 2 168.284 1.208 10 0 ADAELP Cc1ccsc1[C@@]1([NH3+])CC[N@@H+](C)C1 575560214 352675874 /nfs/dbraw/zinc/67/58/74/352675874.db2.gz HHBSSMKZEIRLEA-SNVBAGLBSA-N 2 2 196.319 1.546 10 0 ADAELP Cc1ccsc1[C@]1([NH3+])CC[N@@H+](C)C1 575560200 352675910 /nfs/dbraw/zinc/67/59/10/352675910.db2.gz HHBSSMKZEIRLEA-JTQLQIEISA-N 2 2 196.319 1.546 10 0 ADAELP CC1(C)C[C@@]1(C)[N@@H+]1CC[C@H]1C[NH3+] 575560322 352676020 /nfs/dbraw/zinc/67/60/20/352676020.db2.gz KALNIVGGIOULOX-WCBMZHEXSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)C[C@@]1(C)[N@H+]1CC[C@H]1C[NH3+] 575560322 352676022 /nfs/dbraw/zinc/67/60/22/352676022.db2.gz KALNIVGGIOULOX-WCBMZHEXSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)C[C@]1(C)[N@@H+]1CC[C@@H]1C[NH3+] 575560320 352676060 /nfs/dbraw/zinc/67/60/60/352676060.db2.gz KALNIVGGIOULOX-SCZZXKLOSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)C[C@]1(C)[N@H+]1CC[C@@H]1C[NH3+] 575560320 352676064 /nfs/dbraw/zinc/67/60/64/352676064.db2.gz KALNIVGGIOULOX-SCZZXKLOSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)C[C@]1(C)[N@@H+]1CC[C@H]1C[NH3+] 575560324 352676471 /nfs/dbraw/zinc/67/64/71/352676471.db2.gz KALNIVGGIOULOX-WPRPVWTQSA-N 2 2 168.284 1.208 10 0 ADAELP CC1(C)C[C@]1(C)[N@H+]1CC[C@H]1C[NH3+] 575560324 352676473 /nfs/dbraw/zinc/67/64/73/352676473.db2.gz KALNIVGGIOULOX-WPRPVWTQSA-N 2 2 168.284 1.208 10 0 ADAELP Cc1sccc1[C@@]1([NH3+])CC[N@@H+](C)C1 575560705 352677768 /nfs/dbraw/zinc/67/77/68/352677768.db2.gz LLWZCYFHFYPXPP-SNVBAGLBSA-N 2 2 196.319 1.546 10 0 ADAELP Cc1sccc1[C@@]1([NH3+])CC[N@H+](C)C1 575560705 352677771 /nfs/dbraw/zinc/67/77/71/352677771.db2.gz LLWZCYFHFYPXPP-SNVBAGLBSA-N 2 2 196.319 1.546 10 0 ADAELP Cc1sccc1[C@]1([NH3+])CC[N@@H+](C)C1 575560703 352677782 /nfs/dbraw/zinc/67/77/82/352677782.db2.gz LLWZCYFHFYPXPP-JTQLQIEISA-N 2 2 196.319 1.546 10 0 ADAELP Cc1sccc1[C@]1([NH3+])CC[N@H+](C)C1 575560703 352677783 /nfs/dbraw/zinc/67/77/83/352677783.db2.gz LLWZCYFHFYPXPP-JTQLQIEISA-N 2 2 196.319 1.546 10 0 ADAELP C[C@@H]1C[C@H](Cn2cc[nH+]c2)CC[NH2+]1 575560719 352678301 /nfs/dbraw/zinc/67/83/01/352678301.db2.gz MPYVHTBDSGBWTE-NXEZZACHSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@H]1C[C@@H](Cn2cc[nH+]c2)CC[NH2+]1 575560725 352678522 /nfs/dbraw/zinc/67/85/22/352678522.db2.gz MPYVHTBDSGBWTE-UWVGGRQHSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@H]1C[C@H](Cn2cc[nH+]c2)CC[NH2+]1 575560726 352678573 /nfs/dbraw/zinc/67/85/73/352678573.db2.gz MPYVHTBDSGBWTE-VHSXEESVSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@@H]1C[C@@H](Cn2cc[nH+]c2)CC[NH2+]1 575560727 352678640 /nfs/dbraw/zinc/67/86/40/352678640.db2.gz MPYVHTBDSGBWTE-ZJUUUORDSA-N 2 2 179.267 1.271 10 0 ADAELP Cc1cc(CC2([NH3+])CCC2)cc[nH+]1 575561348 352680511 /nfs/dbraw/zinc/68/05/11/352680511.db2.gz YQWCLKKDKYOHAL-UHFFFAOYSA-N 2 2 176.263 1.814 10 0 ADAELP Cn1c[nH+]cc1C1([NH3+])CC(C)(C)C1 575561552 352681814 /nfs/dbraw/zinc/68/18/14/352681814.db2.gz RNQKUPSLXAWGGB-UHFFFAOYSA-N 2 2 179.267 1.394 10 0 ADAELP Cn1c[nH+]cc1[C@]1([NH3+])CCC1(C)C 575561633 352682024 /nfs/dbraw/zinc/68/20/24/352682024.db2.gz SKWZYSNYLXLVFW-SNVBAGLBSA-N 2 2 179.267 1.394 10 0 ADAELP Cn1c[nH+]cc1[C@@]1([NH3+])CCC1(C)C 575561629 352682046 /nfs/dbraw/zinc/68/20/46/352682046.db2.gz SKWZYSNYLXLVFW-JTQLQIEISA-N 2 2 179.267 1.394 10 0 ADAELP Cc1ccc([C@]2([NH3+])CC[N@@H+](C)C2)s1 575561663 352682523 /nfs/dbraw/zinc/68/25/23/352682523.db2.gz SFPRDIOLPORGBG-JTQLQIEISA-N 2 2 196.319 1.546 10 0 ADAELP Cc1ccc([C@]2([NH3+])CC[N@H+](C)C2)s1 575561663 352682525 /nfs/dbraw/zinc/68/25/25/352682525.db2.gz SFPRDIOLPORGBG-JTQLQIEISA-N 2 2 196.319 1.546 10 0 ADAELP Cc1ccc([C@@]2([NH3+])CC[N@@H+](C)C2)s1 575561664 352682643 /nfs/dbraw/zinc/68/26/43/352682643.db2.gz SFPRDIOLPORGBG-SNVBAGLBSA-N 2 2 196.319 1.546 10 0 ADAELP Cc1ccc([C@@]2([NH3+])CC[N@H+](C)C2)s1 575561664 352682647 /nfs/dbraw/zinc/68/26/47/352682647.db2.gz SFPRDIOLPORGBG-SNVBAGLBSA-N 2 2 196.319 1.546 10 0 ADAELP C[C@H]1CC(F)(F)CC[N@H+]1[C@H](C)C[NH3+] 575561830 352683543 /nfs/dbraw/zinc/68/35/43/352683543.db2.gz VJKKFBPPNKLQKV-JGVFFNPUSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@@H](C[NH3+])[N@@H+]1CCC(F)(F)C[C@H]1C 575561833 352683445 /nfs/dbraw/zinc/68/34/45/352683445.db2.gz VJKKFBPPNKLQKV-SFYZADRCSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@@H](C[NH3+])[N@H+]1CCC(F)(F)C[C@H]1C 575561833 352683447 /nfs/dbraw/zinc/68/34/47/352683447.db2.gz VJKKFBPPNKLQKV-SFYZADRCSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCC(F)(F)C[C@H]1C 575561828 352683500 /nfs/dbraw/zinc/68/35/00/352683500.db2.gz VJKKFBPPNKLQKV-HTQZYQBOSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCC(F)(F)C[C@H]1C 575561828 352683503 /nfs/dbraw/zinc/68/35/03/352683503.db2.gz VJKKFBPPNKLQKV-HTQZYQBOSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@H]1CC(F)(F)CC[N@@H+]1[C@H](C)C[NH3+] 575561830 352683547 /nfs/dbraw/zinc/68/35/47/352683547.db2.gz VJKKFBPPNKLQKV-JGVFFNPUSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@@H](C[NH3+])[N@@H+]1CCC(F)(F)C[C@@H]1C 575561836 352683575 /nfs/dbraw/zinc/68/35/75/352683575.db2.gz VJKKFBPPNKLQKV-YUMQZZPRSA-N 2 2 192.253 1.453 10 0 ADAELP C[C@@H](C[NH3+])[N@H+]1CCC(F)(F)C[C@@H]1C 575561836 352683579 /nfs/dbraw/zinc/68/35/79/352683579.db2.gz VJKKFBPPNKLQKV-YUMQZZPRSA-N 2 2 192.253 1.453 10 0 ADAELP CC1(C)C[C@]1(C)c1[nH]c(C[NH3+])c[nH+]1 575562636 352687439 /nfs/dbraw/zinc/68/74/39/352687439.db2.gz AEFVGMPICYNUQO-SNVBAGLBSA-N 2 2 179.267 1.556 10 0 ADAELP CC1(C)C[C@@]1(C)c1[nH]c(C[NH3+])c[nH+]1 575562635 352687450 /nfs/dbraw/zinc/68/74/50/352687450.db2.gz AEFVGMPICYNUQO-JTQLQIEISA-N 2 2 179.267 1.556 10 0 ADAELP Cc1cc([C@@H]2[C@@H]([NH3+])C2(C)C)cc[nH+]1 575565391 352701406 /nfs/dbraw/zinc/70/14/06/352701406.db2.gz BHJXPQHQZIRAJZ-NXEZZACHSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1cc([C@H]2[C@@H]([NH3+])C2(C)C)cc[nH+]1 575565400 352701417 /nfs/dbraw/zinc/70/14/17/352701417.db2.gz BHJXPQHQZIRAJZ-VHSXEESVSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1cc([C@@H]2[C@H]([NH3+])C2(C)C)cc[nH+]1 575565401 352701510 /nfs/dbraw/zinc/70/15/10/352701510.db2.gz BHJXPQHQZIRAJZ-ZJUUUORDSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1cc([C@H]2[C@H]([NH3+])C2(C)C)cc[nH+]1 575565397 352701574 /nfs/dbraw/zinc/70/15/74/352701574.db2.gz BHJXPQHQZIRAJZ-UWVGGRQHSA-N 2 2 176.263 1.841 10 0 ADAELP Cn1c[nH+]cc1[C@]1([NH3+])CC[C@@H]2C[C@@H]21 575565699 352702679 /nfs/dbraw/zinc/70/26/79/352702679.db2.gz CAKQFPGVNUTTFU-WEDXCCLWSA-N 2 2 177.251 1.004 10 0 ADAELP CC[N@@H+]1CC[C@@]([NH3+])(c2cccs2)C1 575565640 352702723 /nfs/dbraw/zinc/70/27/23/352702723.db2.gz BHBPONNFVTWYSG-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP CC[N@H+]1CC[C@@]([NH3+])(c2cccs2)C1 575565640 352702727 /nfs/dbraw/zinc/70/27/27/352702727.db2.gz BHBPONNFVTWYSG-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP CC[N@@H+]1CC[C@]([NH3+])(c2cccs2)C1 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196.319 1.626 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@@H]1CC1(C)C 575569948 352723221 /nfs/dbraw/zinc/72/32/21/352723221.db2.gz NPWJCTUUHJBXLQ-CBAPKCEASA-N 2 2 179.267 1.466 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@@H]1CC1(C)C 575569952 352723226 /nfs/dbraw/zinc/72/32/26/352723226.db2.gz NPWJCTUUHJBXLQ-IONNQARKSA-N 2 2 179.267 1.466 10 0 ADAELP Cn1c[nH+]cc1[C@@H]([NH3+])[C@H]1CC1(C)C 575569934 352723346 /nfs/dbraw/zinc/72/33/46/352723346.db2.gz NPWJCTUUHJBXLQ-APPZFPTMSA-N 2 2 179.267 1.466 10 0 ADAELP Cn1c[nH+]cc1[C@H]([NH3+])[C@H]1CC1(C)C 575569955 352723409 /nfs/dbraw/zinc/72/34/09/352723409.db2.gz NPWJCTUUHJBXLQ-VXNVDRBHSA-N 2 2 179.267 1.466 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1c[nH+]cn1C 575570099 352723810 /nfs/dbraw/zinc/72/38/10/352723810.db2.gz PHHLWZGZJYCCGA-BKPPORCPSA-N 2 2 165.240 1.076 10 0 ADAELP C[C@@H]1C[C@H]1[C@@H]([NH3+])c1c[nH+]cn1C 575570102 352724138 /nfs/dbraw/zinc/72/41/38/352724138.db2.gz PHHLWZGZJYCCGA-ZXFLCMHBSA-N 2 2 165.240 1.076 10 0 ADAELP C[C@@H]1C[C@H]1[C@H]([NH3+])c1c[nH+]cn1C 575570092 352724255 /nfs/dbraw/zinc/72/42/55/352724255.db2.gz PHHLWZGZJYCCGA-BHNWBGBOSA-N 2 2 165.240 1.076 10 0 ADAELP C[C@@H]1C[C@@H]1[C@H]([NH3+])c1c[nH+]cn1C 575570100 352724319 /nfs/dbraw/zinc/72/43/19/352724319.db2.gz PHHLWZGZJYCCGA-FJXKBIBVSA-N 2 2 165.240 1.076 10 0 ADAELP C[C@@H]1C[C@]1(C)[C@H]([NH3+])c1c[nH+]cn1C 575570585 352726191 /nfs/dbraw/zinc/72/61/91/352726191.db2.gz HCUAQMJABZOUIA-QNSHHTMESA-N 2 2 179.267 1.466 10 0 ADAELP C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1c[nH+]cn1C 575570579 352726209 /nfs/dbraw/zinc/72/62/09/352726209.db2.gz HCUAQMJABZOUIA-FKTZTGRPSA-N 2 2 179.267 1.466 10 0 ADAELP C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1c[nH+]cn1C 575570586 352726317 /nfs/dbraw/zinc/72/63/17/352726317.db2.gz HCUAQMJABZOUIA-SZEHBUNVSA-N 2 2 179.267 1.466 10 0 ADAELP C[C@@H]1C[C@]1(C)[C@@H]([NH3+])c1c[nH+]cn1C 575570581 352726362 /nfs/dbraw/zinc/72/63/62/352726362.db2.gz HCUAQMJABZOUIA-JEZHCXPESA-N 2 2 179.267 1.466 10 0 ADAELP 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/nfs/dbraw/zinc/73/03/25/352730325.db2.gz OSNGEHACNFIKJL-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@]2(C)C[C@H]2C)CC[NH2+]1 575571417 352730329 /nfs/dbraw/zinc/73/03/29/352730329.db2.gz OSNGEHACNFIKJL-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@]1(C)[N@@H+]1CC[NH2+][C@H](C)CC1 575571419 352730402 /nfs/dbraw/zinc/73/04/02/352730402.db2.gz OSNGEHACNFIKJL-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@@]1(C)[N@H+]1CC[NH2+][C@H](C)CC1 575571419 352730405 /nfs/dbraw/zinc/73/04/05/352730405.db2.gz OSNGEHACNFIKJL-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@]1(C)[N@@H+]1CC[NH2+][C@H](C)CC1 575571414 352730460 /nfs/dbraw/zinc/73/04/60/352730460.db2.gz OSNGEHACNFIKJL-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@]1(C)[N@H+]1CC[NH2+][C@H](C)CC1 575571414 352730463 /nfs/dbraw/zinc/73/04/63/352730463.db2.gz OSNGEHACNFIKJL-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@]2(C)C[C@H]2C)CC[NH2+]1 575571422 352730540 /nfs/dbraw/zinc/73/05/40/352730540.db2.gz OSNGEHACNFIKJL-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@]2(C)C[C@H]2C)CC[NH2+]1 575571422 352730543 /nfs/dbraw/zinc/73/05/43/352730543.db2.gz OSNGEHACNFIKJL-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP CC[N@@H+]1CC[C@]([NH3+])(c2ccsc2)C1 575571816 352732534 /nfs/dbraw/zinc/73/25/34/352732534.db2.gz WZNSLTWWOINCJR-SNVBAGLBSA-N 2 2 196.319 1.628 10 0 ADAELP CC[N@H+]1CC[C@]([NH3+])(c2ccsc2)C1 575571816 352732536 /nfs/dbraw/zinc/73/25/36/352732536.db2.gz WZNSLTWWOINCJR-SNVBAGLBSA-N 2 2 196.319 1.628 10 0 ADAELP CC[N@@H+]1CC[C@@]([NH3+])(c2ccsc2)C1 575571814 352732616 /nfs/dbraw/zinc/73/26/16/352732616.db2.gz WZNSLTWWOINCJR-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP CC[N@H+]1CC[C@@]([NH3+])(c2ccsc2)C1 575571814 352732619 /nfs/dbraw/zinc/73/26/19/352732619.db2.gz WZNSLTWWOINCJR-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP C[C@@H]1CCCC[N@@H+]([C@H](C)[C@@H](C)[NH3+])C1 575572026 352733765 /nfs/dbraw/zinc/73/37/65/352733765.db2.gz LPGZZZNTJLWMPA-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CCCC[N@H+]([C@H](C)[C@@H](C)[NH3+])C1 575572026 352733767 /nfs/dbraw/zinc/73/37/67/352733767.db2.gz LPGZZZNTJLWMPA-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCC2(CC2)C1 575571952 352733772 /nfs/dbraw/zinc/73/37/72/352733772.db2.gz RDLPOCFUNBAQPE-QMMMGPOBSA-N 2 2 181.283 1.187 10 0 ADAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCCC2(CC2)C1 575571952 352733777 /nfs/dbraw/zinc/73/37/77/352733777.db2.gz RDLPOCFUNBAQPE-QMMMGPOBSA-N 2 2 181.283 1.187 10 0 ADAELP Cc1cc([C@H]2CC[NH2+][C@H]2C)cc[nH+]1 575572013 352733862 /nfs/dbraw/zinc/73/38/62/352733862.db2.gz SLZLLGKEXVWZQR-ONGXEEELSA-N 2 2 176.263 1.855 10 0 ADAELP Cc1cc([C@@H]2CC[NH2+][C@@H]2C)cc[nH+]1 575572012 352733873 /nfs/dbraw/zinc/73/38/73/352733873.db2.gz SLZLLGKEXVWZQR-MWLCHTKSSA-N 2 2 176.263 1.855 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCCC2(CC2)C1 575571951 352733883 /nfs/dbraw/zinc/73/38/83/352733883.db2.gz RDLPOCFUNBAQPE-MRVPVSSYSA-N 2 2 181.283 1.187 10 0 ADAELP C[C@H](C(N)=[NH2+])[N@H+]1CCCC2(CC2)C1 575571951 352733887 /nfs/dbraw/zinc/73/38/87/352733887.db2.gz RDLPOCFUNBAQPE-MRVPVSSYSA-N 2 2 181.283 1.187 10 0 ADAELP Cc1cc([C@@H]2CC[NH2+][C@H]2C)cc[nH+]1 575572010 352733952 /nfs/dbraw/zinc/73/39/52/352733952.db2.gz SLZLLGKEXVWZQR-GXSJLCMTSA-N 2 2 176.263 1.855 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCC[C@@H](C)C1 575572028 352733980 /nfs/dbraw/zinc/73/39/80/352733980.db2.gz LPGZZZNTJLWMPA-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCC[C@@H](C)C1 575572028 352733981 /nfs/dbraw/zinc/73/39/81/352733981.db2.gz LPGZZZNTJLWMPA-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cc([C@H]2CC[NH2+][C@@H]2C)cc[nH+]1 575572011 352734010 /nfs/dbraw/zinc/73/40/10/352734010.db2.gz SLZLLGKEXVWZQR-KOLCDFICSA-N 2 2 176.263 1.855 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCCC[C@@H](C)C1 575572027 352734104 /nfs/dbraw/zinc/73/41/04/352734104.db2.gz LPGZZZNTJLWMPA-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCCC[C@@H](C)C1 575572027 352734106 /nfs/dbraw/zinc/73/41/06/352734106.db2.gz LPGZZZNTJLWMPA-MXWKQRLJSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCC[C@@H](C)C1 575572029 352734168 /nfs/dbraw/zinc/73/41/68/352734168.db2.gz LPGZZZNTJLWMPA-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCC[C@@H](C)C1 575572029 352734169 /nfs/dbraw/zinc/73/41/69/352734169.db2.gz LPGZZZNTJLWMPA-VWYCJHECSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cc([C@H]2C[NH2+][C@H](C)C2)cc[nH+]1 575572111 352734452 /nfs/dbraw/zinc/73/44/52/352734452.db2.gz MKUHEDZDHWZLTI-MWLCHTKSSA-N 2 2 176.263 1.855 10 0 ADAELP Cc1cc([C@H]2C[NH2+][C@@H](C)C2)cc[nH+]1 575572105 352734457 /nfs/dbraw/zinc/73/44/57/352734457.db2.gz MKUHEDZDHWZLTI-GXSJLCMTSA-N 2 2 176.263 1.855 10 0 ADAELP Cc1cc([C@@H]2C[NH2+][C@@H](C)C2)cc[nH+]1 575572114 352734646 /nfs/dbraw/zinc/73/46/46/352734646.db2.gz MKUHEDZDHWZLTI-ONGXEEELSA-N 2 2 176.263 1.855 10 0 ADAELP Cc1cc([C@@H]2C[NH2+][C@H](C)C2)cc[nH+]1 575572108 352734681 /nfs/dbraw/zinc/73/46/81/352734681.db2.gz MKUHEDZDHWZLTI-KOLCDFICSA-N 2 2 176.263 1.855 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@](C)([NH3+])c1c[nH+]cn1C 575572179 352735267 /nfs/dbraw/zinc/73/52/67/352735267.db2.gz ZHJRNFOVGYKCAC-KHQFGBGNSA-N 2 2 179.267 1.250 10 0 ADAELP C[C@@H]1C[C@H]1[C@@](C)([NH3+])c1c[nH+]cn1C 575572184 352735374 /nfs/dbraw/zinc/73/53/74/352735374.db2.gz ZHJRNFOVGYKCAC-NQMVMOMDSA-N 2 2 179.267 1.250 10 0 ADAELP C[C@@H]1C[C@@H]1[C@](C)([NH3+])c1c[nH+]cn1C 575572186 352735473 /nfs/dbraw/zinc/73/54/73/352735473.db2.gz ZHJRNFOVGYKCAC-WEDXCCLWSA-N 2 2 179.267 1.250 10 0 ADAELP Cc1cc([C@@H]2C[C@H]2[NH3+])cc[nH+]1 575572356 352736068 /nfs/dbraw/zinc/73/60/68/352736068.db2.gz SQWLVCQTIRYRJB-DTWKUNHWSA-N 2 2 148.209 1.205 10 0 ADAELP Cc1cc([C@H]2C[C@H]2[NH3+])cc[nH+]1 575572358 352736194 /nfs/dbraw/zinc/73/61/94/352736194.db2.gz SQWLVCQTIRYRJB-RKDXNWHRSA-N 2 2 148.209 1.205 10 0 ADAELP Cc1cc([C@H]2C[C@@H]2[NH3+])cc[nH+]1 575572355 352736203 /nfs/dbraw/zinc/73/62/03/352736203.db2.gz SQWLVCQTIRYRJB-BDAKNGLRSA-N 2 2 148.209 1.205 10 0 ADAELP Cc1cc([C@@H]2C[C@@H]2[NH3+])cc[nH+]1 575572357 352736211 /nfs/dbraw/zinc/73/62/11/352736211.db2.gz SQWLVCQTIRYRJB-IUCAKERBSA-N 2 2 148.209 1.205 10 0 ADAELP C[C@@H]1CCCC[N@H+](C[C@@H]2CC[NH2+]2)C1 575572686 352737197 /nfs/dbraw/zinc/73/71/97/352737197.db2.gz PVDVBUGHYZPKRP-MNOVXSKESA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]2)C1 575572686 352737201 /nfs/dbraw/zinc/73/72/01/352737201.db2.gz PVDVBUGHYZPKRP-MNOVXSKESA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCCC[N@H+](C[C@H]2CC[NH2+]2)C1 575572684 352737214 /nfs/dbraw/zinc/73/72/14/352737214.db2.gz PVDVBUGHYZPKRP-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]2)C1 575572684 352737216 /nfs/dbraw/zinc/73/72/16/352737216.db2.gz PVDVBUGHYZPKRP-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CCCC[N@H+](C[C@@H]2CC[NH2+]2)C1 575572688 352737359 /nfs/dbraw/zinc/73/73/59/352737359.db2.gz PVDVBUGHYZPKRP-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]2)C1 575572688 352737361 /nfs/dbraw/zinc/73/73/61/352737361.db2.gz PVDVBUGHYZPKRP-QWRGUYRKSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CCCC[N@H+](C[C@H]2CC[NH2+]2)C1 575572692 352737614 /nfs/dbraw/zinc/73/76/14/352737614.db2.gz PVDVBUGHYZPKRP-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]2)C1 575572692 352737615 /nfs/dbraw/zinc/73/76/15/352737615.db2.gz PVDVBUGHYZPKRP-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc[nH+]1 575572731 352737817 /nfs/dbraw/zinc/73/78/17/352737817.db2.gz WTDNOHYTKCIECV-IEBDPFPHSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1cc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc[nH+]1 575572735 352737975 /nfs/dbraw/zinc/73/79/75/352737975.db2.gz WTDNOHYTKCIECV-MIMYLULJSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1cc([C@@H]2C[C@@H]2[C@H](C)[NH3+])cc[nH+]1 575572728 352738322 /nfs/dbraw/zinc/73/83/22/352738322.db2.gz WTDNOHYTKCIECV-GDPRMGEGSA-N 2 2 176.263 1.841 10 0 ADAELP Cc1cc(/C=C/C[NH3+])cc[nH+]1 575572831 352738334 /nfs/dbraw/zinc/73/83/34/352738334.db2.gz XDPZFLNJMOBPHC-NSCUHMNNSA-N 2 2 148.209 1.362 10 0 ADAELP Cc1cc([C@@H]2C[C@H]2[C@H](C)[NH3+])cc[nH+]1 575572733 352738345 /nfs/dbraw/zinc/73/83/45/352738345.db2.gz WTDNOHYTKCIECV-LSJOCFKGSA-N 2 2 176.263 1.841 10 0 ADAELP C[C@H]1C[C@@]([NH3+])(c2ccsc2)C[N@@H+]1C 575573015 352739312 /nfs/dbraw/zinc/73/93/12/352739312.db2.gz YDONHBPTZULFOY-WPRPVWTQSA-N 2 2 196.319 1.626 10 0 ADAELP C[C@H]1C[C@@]([NH3+])(c2ccsc2)C[N@H+]1C 575573015 352739314 /nfs/dbraw/zinc/73/93/14/352739314.db2.gz YDONHBPTZULFOY-WPRPVWTQSA-N 2 2 196.319 1.626 10 0 ADAELP C[C@@H]1C[C@]([NH3+])(c2ccsc2)C[N@@H+]1C 575573008 352739370 /nfs/dbraw/zinc/73/93/70/352739370.db2.gz YDONHBPTZULFOY-PSASIEDQSA-N 2 2 196.319 1.626 10 0 ADAELP C[C@@H]1C[C@]([NH3+])(c2ccsc2)C[N@H+]1C 575573008 352739373 /nfs/dbraw/zinc/73/93/73/352739373.db2.gz 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10 0 ADAELP C[C@H]1C[C@@]1(C)[N@@H+]1CCC[NH2+]CC1 575573250 352740772 /nfs/dbraw/zinc/74/07/72/352740772.db2.gz ZZWAPYAQWCOYBV-VHSXEESVSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1C[C@@]1(C)[N@H+]1CCC[NH2+]CC1 575573250 352740776 /nfs/dbraw/zinc/74/07/76/352740776.db2.gz ZZWAPYAQWCOYBV-VHSXEESVSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CCCC[N@@H+]([C@H]2CC[NH2+]C2)C1 575573380 352740818 /nfs/dbraw/zinc/74/08/18/352740818.db2.gz VCBHMMUBUZFUSC-MNOVXSKESA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCCC[N@H+]([C@H]2CC[NH2+]C2)C1 575573380 352740821 /nfs/dbraw/zinc/74/08/21/352740821.db2.gz VCBHMMUBUZFUSC-MNOVXSKESA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1C[C@]1(C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 575573245 352740867 /nfs/dbraw/zinc/74/08/67/352740867.db2.gz ZYSFDRXKRJHTNE-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1C[C@]1(C)[N@H+]1CC[NH2+]C[C@@H](C)C1 575573245 352740868 /nfs/dbraw/zinc/74/08/68/352740868.db2.gz ZYSFDRXKRJHTNE-VWYCJHECSA-N 2 2 182.311 1.326 10 0 ADAELP 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575573382 352741237 /nfs/dbraw/zinc/74/12/37/352741237.db2.gz VCBHMMUBUZFUSC-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C2)C1 575573382 352741242 /nfs/dbraw/zinc/74/12/42/352741242.db2.gz VCBHMMUBUZFUSC-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 575573378 352741269 /nfs/dbraw/zinc/74/12/69/352741269.db2.gz VCBHMMUBUZFUSC-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1CCCC[N@H+]([C@@H]2CC[NH2+]C2)C1 575573378 352741271 /nfs/dbraw/zinc/74/12/71/352741271.db2.gz VCBHMMUBUZFUSC-GHMZBOCLSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1C[C@@]1(C)[N@@H+]1CCC[NH2+]CC1 575573248 352741288 /nfs/dbraw/zinc/74/12/88/352741288.db2.gz ZZWAPYAQWCOYBV-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1C[C@@]1(C)[N@H+]1CCC[NH2+]CC1 575573248 352741290 /nfs/dbraw/zinc/74/12/90/352741290.db2.gz ZZWAPYAQWCOYBV-NXEZZACHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1C[C@]([NH3+])(c2c[nH+]cn2C)CS1 575573650 352742277 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BBDXWZXGSHMPPX-NKWVEPMBSA-N 2 2 167.256 1.179 10 0 ADAELP Cc1[nH+]c([C@H](C)[C@@H](C)[NH3+])cn1C 575575543 352752434 /nfs/dbraw/zinc/75/24/34/352752434.db2.gz BBDXWZXGSHMPPX-RNFRBKRXSA-N 2 2 167.256 1.179 10 0 ADAELP Cc1[nH+]c([C@@H](C)[C@H](C)[NH3+])cn1C 575575540 352752551 /nfs/dbraw/zinc/75/25/51/352752551.db2.gz BBDXWZXGSHMPPX-BQBZGAKWSA-N 2 2 167.256 1.179 10 0 ADAELP C1C[NH2+][C@@]2(CCC[NH2+]CC2)SC1 575575686 352753043 /nfs/dbraw/zinc/75/30/43/352753043.db2.gz MDQMUSNRRKQVBF-VIFPVBQESA-N 2 2 186.324 1.183 10 0 ADAELP Cc1[nH+]c([C@@H]2CCC[C@@H]2[NH3+])cn1C 575575864 352753726 /nfs/dbraw/zinc/75/37/26/352753726.db2.gz FVGMYVSGKMODNX-BDAKNGLRSA-N 2 2 179.267 1.323 10 0 ADAELP Cc1[nH+]c([C@H]2CCC[C@@H]2[NH3+])cn1C 575575866 352753737 /nfs/dbraw/zinc/75/37/37/352753737.db2.gz FVGMYVSGKMODNX-IUCAKERBSA-N 2 2 179.267 1.323 10 0 ADAELP Cc1[nH+]c([C@@H]2CCC[C@H]2[NH3+])cn1C 575575867 352753968 /nfs/dbraw/zinc/75/39/68/352753968.db2.gz FVGMYVSGKMODNX-RKDXNWHRSA-N 2 2 179.267 1.323 10 0 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1.312 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+](C[C@@H]2C[C@H]2C)C1 575576657 352757740 /nfs/dbraw/zinc/75/77/40/352757740.db2.gz NKWHFELTEPMVKW-ZNSHCXBVSA-N 2 2 182.311 1.312 10 0 ADAELP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 575576655 352757764 /nfs/dbraw/zinc/75/77/64/352757764.db2.gz NKWHFELTEPMVKW-YTWAJWBKSA-N 2 2 182.311 1.312 10 0 ADAELP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 575576655 352757767 /nfs/dbraw/zinc/75/77/67/352757767.db2.gz NKWHFELTEPMVKW-YTWAJWBKSA-N 2 2 182.311 1.312 10 0 ADAELP Cn1c[nH+]cc1[C@@](C)([NH3+])C1(C)CC1 575578251 352766031 /nfs/dbraw/zinc/76/60/31/352766031.db2.gz SXKRILLAPZEVRR-SNVBAGLBSA-N 2 2 179.267 1.394 10 0 ADAELP Cn1c[nH+]cc1[C@](C)([NH3+])C1(C)CC1 575578247 352766048 /nfs/dbraw/zinc/76/60/48/352766048.db2.gz SXKRILLAPZEVRR-JTQLQIEISA-N 2 2 179.267 1.394 10 0 ADAELP Cn1c[nH+]cc1[C@](C)([NH3+])C(C)(C)C 575579902 352774327 /nfs/dbraw/zinc/77/43/27/352774327.db2.gz OBJKAIVHCZCPJV-JTQLQIEISA-N 2 2 181.283 1.640 10 0 ADAELP 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/nfs/dbraw/zinc/78/74/77/352787477.db2.gz DKBOEESCACMFAL-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1CCC1(C)C 575582267 352787481 /nfs/dbraw/zinc/78/74/81/352787481.db2.gz DKBOEESCACMFAL-MRVPVSSYSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+]1CCC1(C)C 575582269 352787663 /nfs/dbraw/zinc/78/76/63/352787663.db2.gz DKBOEESCACMFAL-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+]1CCC1(C)C 575582269 352787666 /nfs/dbraw/zinc/78/76/66/352787666.db2.gz DKBOEESCACMFAL-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP C[C@@H]1CC[N@H+]([C@H](C)CF)CC[NH2+]1 575582463 352788372 /nfs/dbraw/zinc/78/83/72/352788372.db2.gz FNXXWIQUYDCRGB-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1CC[N@H+]([C@H](C)CF)CC[NH2+]1 575582459 352788225 /nfs/dbraw/zinc/78/82/25/352788225.db2.gz FNXXWIQUYDCRGB-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1CC[N@@H+]([C@H](C)CF)CC[NH2+]1 575582459 352788226 /nfs/dbraw/zinc/78/82/26/352788226.db2.gz FNXXWIQUYDCRGB-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H](CF)[N@@H+]1CC[NH2+][C@H](C)CC1 575582458 352788353 /nfs/dbraw/zinc/78/83/53/352788353.db2.gz FNXXWIQUYDCRGB-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H](CF)[N@H+]1CC[NH2+][C@H](C)CC1 575582458 352788355 /nfs/dbraw/zinc/78/83/55/352788355.db2.gz FNXXWIQUYDCRGB-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@H](C)CF)CC[NH2+]1 575582463 352788376 /nfs/dbraw/zinc/78/83/76/352788376.db2.gz FNXXWIQUYDCRGB-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1CC[N@H+]([C@@H](C)CF)CC[NH2+]1 575582461 352788503 /nfs/dbraw/zinc/78/85/03/352788503.db2.gz FNXXWIQUYDCRGB-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1CC[N@@H+]([C@@H](C)CF)CC[NH2+]1 575582461 352788505 /nfs/dbraw/zinc/78/85/05/352788505.db2.gz FNXXWIQUYDCRGB-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H](CF)[N@@H+]1CCC[NH2+][C@H](C)C1 575582867 352789862 /nfs/dbraw/zinc/78/98/62/352789862.db2.gz IOPORDQAFWKDDP-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H](CF)[N@H+]1CCC[NH2+][C@H](C)C1 575582867 352789867 /nfs/dbraw/zinc/78/98/67/352789867.db2.gz IOPORDQAFWKDDP-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H]1C[N@H+]([C@H](C)CF)CCC[NH2+]1 575582872 352789937 /nfs/dbraw/zinc/78/99/37/352789937.db2.gz IOPORDQAFWKDDP-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H](C)CF)CCC[NH2+]1 575582872 352789939 /nfs/dbraw/zinc/78/99/39/352789939.db2.gz IOPORDQAFWKDDP-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[N@H+]([C@@H](C)CF)CCC[NH2+]1 575582870 352790147 /nfs/dbraw/zinc/79/01/47/352790147.db2.gz IOPORDQAFWKDDP-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[N@@H+]([C@@H](C)CF)CCC[NH2+]1 575582870 352790148 /nfs/dbraw/zinc/79/01/48/352790148.db2.gz IOPORDQAFWKDDP-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[N@H+]([C@H](C)CF)CCC[NH2+]1 575582868 352790197 /nfs/dbraw/zinc/79/01/97/352790197.db2.gz IOPORDQAFWKDDP-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[N@@H+]([C@H](C)CF)CCC[NH2+]1 575582868 352790198 /nfs/dbraw/zinc/79/01/98/352790198.db2.gz IOPORDQAFWKDDP-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP C1C[C@@H](C2CC2)[N@@H+]([C@H]2CC[NH2+]C2)C1 575583093 352791290 /nfs/dbraw/zinc/79/12/90/352791290.db2.gz IVUXSSLJYBFQQL-QWRGUYRKSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@@H](C2CC2)[N@H+]([C@H]2CC[NH2+]C2)C1 575583093 352791291 /nfs/dbraw/zinc/79/12/91/352791291.db2.gz IVUXSSLJYBFQQL-QWRGUYRKSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@@H](C2CC2)[N@@H+]([C@@H]2CC[NH2+]C2)C1 575583092 352791303 /nfs/dbraw/zinc/79/13/03/352791303.db2.gz IVUXSSLJYBFQQL-MNOVXSKESA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@@H](C2CC2)[N@H+]([C@@H]2CC[NH2+]C2)C1 575583092 352791306 /nfs/dbraw/zinc/79/13/06/352791306.db2.gz IVUXSSLJYBFQQL-MNOVXSKESA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@H](C2CC2)[N@H+]([C@H]2CC[NH2+]C2)C1 575583096 352791641 /nfs/dbraw/zinc/79/16/41/352791641.db2.gz IVUXSSLJYBFQQL-WDEREUQCSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@H](C2CC2)[N@@H+]([C@@H]2CC[NH2+]C2)C1 575583089 352791696 /nfs/dbraw/zinc/79/16/96/352791696.db2.gz IVUXSSLJYBFQQL-GHMZBOCLSA-N 2 2 180.295 1.223 10 0 ADAELP C1C[C@H](C2CC2)[N@H+]([C@@H]2CC[NH2+]C2)C1 575583089 352791700 /nfs/dbraw/zinc/79/17/00/352791700.db2.gz IVUXSSLJYBFQQL-GHMZBOCLSA-N 2 2 180.295 1.223 10 0 ADAELP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCCC[NH2+]1 575583480 352792822 /nfs/dbraw/zinc/79/28/22/352792822.db2.gz LWXZEIVSYLVGDL-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CCCC[NH2+]1 575583480 352792821 /nfs/dbraw/zinc/79/28/21/352792821.db2.gz LWXZEIVSYLVGDL-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)[C@@H]1C 575583477 352792827 /nfs/dbraw/zinc/79/28/27/352792827.db2.gz LWXZEIVSYLVGDL-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)[C@@H]1C 575583477 352792828 /nfs/dbraw/zinc/79/28/28/352792828.db2.gz LWXZEIVSYLVGDL-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)[C@@H]1C 575583478 352792860 /nfs/dbraw/zinc/79/28/60/352792860.db2.gz LWXZEIVSYLVGDL-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)[C@@H]1C 575583478 352792861 /nfs/dbraw/zinc/79/28/61/352792861.db2.gz LWXZEIVSYLVGDL-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCCC(F)(F)CC1 575583289 352792878 /nfs/dbraw/zinc/79/28/78/352792878.db2.gz LYUUQIFWJKODDM-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCCC(F)(F)CC1 575583289 352792880 /nfs/dbraw/zinc/79/28/80/352792880.db2.gz LYUUQIFWJKODDM-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP C[C@H]1[C@H](C)C[N@@H+]1C[C@H]1CCCC[NH2+]1 575583479 352792938 /nfs/dbraw/zinc/79/29/38/352792938.db2.gz LWXZEIVSYLVGDL-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CCCC[NH2+]1 575583479 352792940 /nfs/dbraw/zinc/79/29/40/352792940.db2.gz LWXZEIVSYLVGDL-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)[C@@H]1C 575583473 352792952 /nfs/dbraw/zinc/79/29/52/352792952.db2.gz LWXZEIVSYLVGDL-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)[C@@H]1C 575583473 352792954 /nfs/dbraw/zinc/79/29/54/352792954.db2.gz LWXZEIVSYLVGDL-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](C[NH3+])[N@@H+]1CCCC(F)(F)CC1 575583290 352792993 /nfs/dbraw/zinc/79/29/93/352792993.db2.gz LYUUQIFWJKODDM-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP C[C@@H](C[NH3+])[N@H+]1CCCC(F)(F)CC1 575583290 352792995 /nfs/dbraw/zinc/79/29/95/352792995.db2.gz LYUUQIFWJKODDM-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)[C@H]1C 575583474 352792997 /nfs/dbraw/zinc/79/29/97/352792997.db2.gz LWXZEIVSYLVGDL-DCAQKATOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)[C@H]1C 575583474 352792999 /nfs/dbraw/zinc/79/29/99/352792999.db2.gz LWXZEIVSYLVGDL-DCAQKATOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)[C@H]1C 575583475 352793037 /nfs/dbraw/zinc/79/30/37/352793037.db2.gz LWXZEIVSYLVGDL-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)[C@H]1C 575583475 352793038 /nfs/dbraw/zinc/79/30/38/352793038.db2.gz LWXZEIVSYLVGDL-GARJFASQSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)[C@@H]1C 575583476 352793127 /nfs/dbraw/zinc/79/31/27/352793127.db2.gz LWXZEIVSYLVGDL-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)[C@@H]1C 575583476 352793130 /nfs/dbraw/zinc/79/31/30/352793130.db2.gz LWXZEIVSYLVGDL-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H](CF)[N@@H+]1CCC[NH2+]C(C)(C)C1 575583549 352793622 /nfs/dbraw/zinc/79/36/22/352793622.db2.gz NQBDVFVAXASZMI-VIFPVBQESA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H](CF)[N@H+]1CCC[NH2+]C(C)(C)C1 575583549 352793624 /nfs/dbraw/zinc/79/36/24/352793624.db2.gz NQBDVFVAXASZMI-VIFPVBQESA-N 2 2 188.290 1.418 10 0 ADAELP C[C@H](CF)[N@@H+]1CCC[NH2+]C(C)(C)C1 575583548 352793635 /nfs/dbraw/zinc/79/36/35/352793635.db2.gz NQBDVFVAXASZMI-SECBINFHSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@H](CF)[N@H+]1CCC[NH2+]C(C)(C)C1 575583548 352793637 /nfs/dbraw/zinc/79/36/37/352793637.db2.gz NQBDVFVAXASZMI-SECBINFHSA-N 2 2 188.290 1.418 10 0 ADAELP CC1(C)CC[N@@H+]1C[C@@H]1CCCC[NH2+]1 575583808 352794266 /nfs/dbraw/zinc/79/42/66/352794266.db2.gz MPVJIGFKDJJCMS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CC[N@H+]1C[C@@H]1CCCC[NH2+]1 575583808 352794270 /nfs/dbraw/zinc/79/42/70/352794270.db2.gz MPVJIGFKDJJCMS-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CC[N@@H+]1C[C@H]1CCCC[NH2+]1 575583814 352794469 /nfs/dbraw/zinc/79/44/69/352794469.db2.gz MPVJIGFKDJJCMS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP CC1(C)CC[N@H+]1C[C@H]1CCCC[NH2+]1 575583814 352794472 /nfs/dbraw/zinc/79/44/72/352794472.db2.gz MPVJIGFKDJJCMS-SNVBAGLBSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CC[NH2+]1 575583936 352795022 /nfs/dbraw/zinc/79/50/22/352795022.db2.gz NWOLTVAHSJDGFI-AEJSXWLSSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CC[NH2+]1 575583936 352795024 /nfs/dbraw/zinc/79/50/24/352795024.db2.gz NWOLTVAHSJDGFI-AEJSXWLSSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CC[NH2+]1 575583938 352795354 /nfs/dbraw/zinc/79/53/54/352795354.db2.gz NWOLTVAHSJDGFI-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1CC[NH2+]1 575583938 352795357 /nfs/dbraw/zinc/79/53/57/352795357.db2.gz NWOLTVAHSJDGFI-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CC[NH2+]1 575583939 352795364 /nfs/dbraw/zinc/79/53/64/352795364.db2.gz NWOLTVAHSJDGFI-OPRDCNLKSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CC[NH2+]1 575583937 352795495 /nfs/dbraw/zinc/79/54/95/352795495.db2.gz NWOLTVAHSJDGFI-BBBLOLIVSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]([NH3+])C[NH+]1C2CCCC1CCC2 575584558 352797495 /nfs/dbraw/zinc/79/74/95/352797495.db2.gz WOFODESCVBMUPJ-WHXUTIOJSA-N 2 2 182.311 1.741 10 0 ADAELP C[C@H]1CCN1c1cc[nH+]cc1C[NH3+] 575584793 352799259 /nfs/dbraw/zinc/79/92/59/352799259.db2.gz QXMKQDMHYBTYMO-QMMMGPOBSA-N 2 2 177.251 1.139 10 0 ADAELP C[C@@H]1CCN1c1cc[nH+]cc1C[NH3+] 575584792 352799344 /nfs/dbraw/zinc/79/93/44/352799344.db2.gz QXMKQDMHYBTYMO-MRVPVSSYSA-N 2 2 177.251 1.139 10 0 ADAELP C[C@@H]1C[N@H+]([C@]2(C)C[C@H]2C)CCC[NH2+]1 575585871 352804796 /nfs/dbraw/zinc/80/47/96/352804796.db2.gz OFSJYHFAXKQRMG-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+]([C@]2(C)C[C@H]2C)CCC[NH2+]1 575585871 352804798 /nfs/dbraw/zinc/80/47/98/352804798.db2.gz OFSJYHFAXKQRMG-GMTAPVOTSA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1[NH+]1CC(C(F)F)C1 575585977 352804857 /nfs/dbraw/zinc/80/48/57/352804857.db2.gz YGQBWTZFRMFWTD-JGVFFNPUSA-N 2 2 190.237 1.063 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CC(C(F)F)C1 575585978 352805018 /nfs/dbraw/zinc/80/50/18/352805018.db2.gz YGQBWTZFRMFWTD-SFYZADRCSA-N 2 2 190.237 1.063 10 0 ADAELP C[C@H]1C[C@]1(C)[N@@H+]1CCC[NH2+][C@H](C)C1 575585870 352805036 /nfs/dbraw/zinc/80/50/36/352805036.db2.gz OFSJYHFAXKQRMG-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@]1(C)[N@H+]1CCC[NH2+][C@H](C)C1 575585870 352805038 /nfs/dbraw/zinc/80/50/38/352805038.db2.gz OFSJYHFAXKQRMG-AXFHLTTASA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]1[NH+]1CC(C(F)F)C1 575585979 352805257 /nfs/dbraw/zinc/80/52/57/352805257.db2.gz YGQBWTZFRMFWTD-YUMQZZPRSA-N 2 2 190.237 1.063 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[NH+]1CC(C(F)F)C1 575585976 352805385 /nfs/dbraw/zinc/80/53/85/352805385.db2.gz YGQBWTZFRMFWTD-HTQZYQBOSA-N 2 2 190.237 1.063 10 0 ADAELP [NH3+]CC1([NH+]2CCC3(CC2)CC3)CC1 575585987 352805459 /nfs/dbraw/zinc/80/54/59/352805459.db2.gz YKXKISXUXADVOO-UHFFFAOYSA-N 2 2 180.295 1.354 10 0 ADAELP C[C@H]1C[C@@]1(C)[N@@H+]1CCC[NH2+][C@H](C)C1 575585872 352805529 /nfs/dbraw/zinc/80/55/29/352805529.db2.gz OFSJYHFAXKQRMG-HBNTYKKESA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@]2(C)C[C@H]2C)CCC[NH2+]1 575585873 352805560 /nfs/dbraw/zinc/80/55/60/352805560.db2.gz OFSJYHFAXKQRMG-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2[NH2+]CC[C@H]2C)[C@@H]1C 575586118 352805979 /nfs/dbraw/zinc/80/59/79/352805979.db2.gz ZOIVKTYZVGSCGY-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H]2[NH2+]CC[C@H]2C)[C@@H]1C 575586118 352805982 /nfs/dbraw/zinc/80/59/82/352805982.db2.gz ZOIVKTYZVGSCGY-LMLFDSFASA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2[NH2+]CC[C@H]2C)[C@H]1C 575586121 352806134 /nfs/dbraw/zinc/80/61/34/352806134.db2.gz ZOIVKTYZVGSCGY-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H]2[NH2+]CC[C@H]2C)[C@H]1C 575586121 352806137 /nfs/dbraw/zinc/80/61/37/352806137.db2.gz ZOIVKTYZVGSCGY-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1C[C@@H](C)[C@H]1C 575586117 352806174 /nfs/dbraw/zinc/80/61/74/352806174.db2.gz ZOIVKTYZVGSCGY-GWOFURMSSA-N 2 2 182.311 1.325 10 0 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JQFIBIVBBZLPTK-VHSXEESVSA-N 2 2 168.284 1.374 10 0 ADAELP C[C@]1([NH+]2CC(C3CC3)C2)CC[NH2+]C1 575588683 352819728 /nfs/dbraw/zinc/81/97/28/352819728.db2.gz RKRRFACLXRWNIH-NSHDSACASA-N 2 2 180.295 1.080 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccsc1 575588887 352820383 /nfs/dbraw/zinc/82/03/83/352820383.db2.gz KLMYANSKOONXOS-WPRPVWTQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccsc1 575588887 352820385 /nfs/dbraw/zinc/82/03/85/352820385.db2.gz KLMYANSKOONXOS-WPRPVWTQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccsc1 575588885 352820414 /nfs/dbraw/zinc/82/04/14/352820414.db2.gz KLMYANSKOONXOS-SCZZXKLOSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccsc1 575588885 352820416 /nfs/dbraw/zinc/82/04/16/352820416.db2.gz KLMYANSKOONXOS-SCZZXKLOSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccsc1 575588884 352820490 /nfs/dbraw/zinc/82/04/90/352820490.db2.gz KLMYANSKOONXOS-PSASIEDQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccsc1 575588884 352820492 /nfs/dbraw/zinc/82/04/92/352820492.db2.gz KLMYANSKOONXOS-PSASIEDQSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccsc1 575588886 352820555 /nfs/dbraw/zinc/82/05/55/352820555.db2.gz KLMYANSKOONXOS-WCBMZHEXSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccsc1 575588886 352820557 /nfs/dbraw/zinc/82/05/57/352820557.db2.gz KLMYANSKOONXOS-WCBMZHEXSA-N 2 2 196.319 1.670 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@@H](C)[C@H]1C 575589307 352822009 /nfs/dbraw/zinc/82/20/09/352822009.db2.gz DLNISXLDWKZTKW-DBIOUOCHSA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@@H](C)[C@H]1C 575589307 352822013 /nfs/dbraw/zinc/82/20/13/352822013.db2.gz DLNISXLDWKZTKW-DBIOUOCHSA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)[C@@H]1C 575589308 352822138 /nfs/dbraw/zinc/82/21/38/352822138.db2.gz DLNISXLDWKZTKW-MMWGEVLESA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)[C@@H]1C 575589308 352822142 /nfs/dbraw/zinc/82/21/42/352822142.db2.gz DLNISXLDWKZTKW-MMWGEVLESA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@@H](C)[C@@H]1C 575589309 352822159 /nfs/dbraw/zinc/82/21/59/352822159.db2.gz DLNISXLDWKZTKW-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@@H](C)[C@@H]1C 575589309 352822160 /nfs/dbraw/zinc/82/21/60/352822160.db2.gz DLNISXLDWKZTKW-YTWAJWBKSA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)[C@H]1C 575589310 352822402 /nfs/dbraw/zinc/82/24/02/352822402.db2.gz DLNISXLDWKZTKW-ZDCRXTMVSA-N 2 2 182.311 1.325 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)[C@H]1C 575589310 352822403 /nfs/dbraw/zinc/82/24/03/352822403.db2.gz DLNISXLDWKZTKW-ZDCRXTMVSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@H](C)[C@@H]1CCCC[NH2+]1 575589453 352822857 /nfs/dbraw/zinc/82/28/57/352822857.db2.gz FLCMCRGMWTXXFF-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@H](C)[C@@H]1CCCC[NH2+]1 575589453 352822860 /nfs/dbraw/zinc/82/28/60/352822860.db2.gz FLCMCRGMWTXXFF-MXWKQRLJSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@H](C)[C@H]1CCCC[NH2+]1 575589450 352823175 /nfs/dbraw/zinc/82/31/75/352823175.db2.gz FLCMCRGMWTXXFF-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@H](C)[C@H]1CCCC[NH2+]1 575589450 352823177 /nfs/dbraw/zinc/82/31/77/352823177.db2.gz FLCMCRGMWTXXFF-GMTAPVOTSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 575589884 352825139 /nfs/dbraw/zinc/82/51/39/352825139.db2.gz HUKGJYYYPRRCDB-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 575589884 352825142 /nfs/dbraw/zinc/82/51/42/352825142.db2.gz HUKGJYYYPRRCDB-BBBLOLIVSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1CCC[NH2+]1 575589894 352825195 /nfs/dbraw/zinc/82/51/95/352825195.db2.gz HUKGJYYYPRRCDB-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]1 575589894 352825196 /nfs/dbraw/zinc/82/51/96/352825196.db2.gz HUKGJYYYPRRCDB-UTLUCORTSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 575589882 352825217 /nfs/dbraw/zinc/82/52/17/352825217.db2.gz HUKGJYYYPRRCDB-AEJSXWLSSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C 575589882 352825219 /nfs/dbraw/zinc/82/52/19/352825219.db2.gz HUKGJYYYPRRCDB-AEJSXWLSSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]2)[C@@H]1C 575589893 352825470 /nfs/dbraw/zinc/82/54/70/352825470.db2.gz HUKGJYYYPRRCDB-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)[C@@H]1C 575589893 352825474 /nfs/dbraw/zinc/82/54/74/352825474.db2.gz HUKGJYYYPRRCDB-OPRDCNLKSA-N 2 2 168.284 1.079 10 0 ADAELP CC1(C)CC[N@@H+]1C[C@H]1CCC[NH2+]1 575590011 352825492 /nfs/dbraw/zinc/82/54/92/352825492.db2.gz JIHGPWCWGDQTPF-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP CC1(C)CC[N@H+]1C[C@H]1CCC[NH2+]1 575590011 352825496 /nfs/dbraw/zinc/82/54/96/352825496.db2.gz JIHGPWCWGDQTPF-SECBINFHSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@H]1[C@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]1 575589889 352825535 /nfs/dbraw/zinc/82/55/35/352825535.db2.gz HUKGJYYYPRRCDB-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]1 575589889 352825537 /nfs/dbraw/zinc/82/55/37/352825537.db2.gz HUKGJYYYPRRCDB-KXUCPTDWSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C 575589886 352825568 /nfs/dbraw/zinc/82/55/68/352825568.db2.gz HUKGJYYYPRRCDB-GUBZILKMSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C 575589886 352825571 /nfs/dbraw/zinc/82/55/71/352825571.db2.gz HUKGJYYYPRRCDB-GUBZILKMSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]2)[C@H]1C 575589890 352825696 /nfs/dbraw/zinc/82/56/96/352825696.db2.gz HUKGJYYYPRRCDB-LPEHRKFASA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)[C@H]1C 575589890 352825700 /nfs/dbraw/zinc/82/57/00/352825700.db2.gz HUKGJYYYPRRCDB-LPEHRKFASA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]2)[C@@H]1C 575589887 352825711 /nfs/dbraw/zinc/82/57/11/352825711.db2.gz HUKGJYYYPRRCDB-IVZWLZJFSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]([C@H]1CCCC[NH2+]1)[N@@H+]1CC[C@H]1C 575590061 352826035 /nfs/dbraw/zinc/82/60/35/352826035.db2.gz FLCMCRGMWTXXFF-OUAUKWLOSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]([C@H]1CCCC[NH2+]1)[N@H+]1CC[C@H]1C 575590061 352826037 /nfs/dbraw/zinc/82/60/37/352826037.db2.gz FLCMCRGMWTXXFF-OUAUKWLOSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]([C@@H]1CCCC[NH2+]1)[N@@H+]1CC[C@H]1C 575590064 352826132 /nfs/dbraw/zinc/82/61/32/352826132.db2.gz FLCMCRGMWTXXFF-VWYCJHECSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]([C@@H]1CCCC[NH2+]1)[N@H+]1CC[C@H]1C 575590064 352826134 /nfs/dbraw/zinc/82/61/34/352826134.db2.gz FLCMCRGMWTXXFF-VWYCJHECSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cccs1 575590809 352828513 /nfs/dbraw/zinc/82/85/13/352828513.db2.gz QHCYYPUKRHUTQT-RKDXNWHRSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cccs1 575590809 352828515 /nfs/dbraw/zinc/82/85/15/352828515.db2.gz QHCYYPUKRHUTQT-RKDXNWHRSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccs1 575590804 352828560 /nfs/dbraw/zinc/82/85/60/352828560.db2.gz QHCYYPUKRHUTQT-BDAKNGLRSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccs1 575590804 352828559 /nfs/dbraw/zinc/82/85/59/352828559.db2.gz QHCYYPUKRHUTQT-BDAKNGLRSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1cccs1 575590805 352828838 /nfs/dbraw/zinc/82/88/38/352828838.db2.gz QHCYYPUKRHUTQT-DTWKUNHWSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1cccs1 575590805 352828842 /nfs/dbraw/zinc/82/88/42/352828842.db2.gz QHCYYPUKRHUTQT-DTWKUNHWSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@H](C)[C@@H]1CCC[NH2+]1 575590757 352828964 /nfs/dbraw/zinc/82/89/64/352828964.db2.gz LWBQSSYUTVBYAC-BBBLOLIVSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@H](C)[C@@H]1CCC[NH2+]1 575590757 352828966 /nfs/dbraw/zinc/82/89/66/352828966.db2.gz LWBQSSYUTVBYAC-BBBLOLIVSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[N@H+]1[C@H](C)[C@H]1CCC[NH2+]1 575590759 352828996 /nfs/dbraw/zinc/82/89/96/352828996.db2.gz LWBQSSYUTVBYAC-OPRDCNLKSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1CC[N@@H+]1[C@H](C)[C@H]1CCC[NH2+]1 575590759 352828999 /nfs/dbraw/zinc/82/89/99/352828999.db2.gz LWBQSSYUTVBYAC-OPRDCNLKSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccs1 575590808 352829007 /nfs/dbraw/zinc/82/90/07/352829007.db2.gz QHCYYPUKRHUTQT-IUCAKERBSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccs1 575590808 352829011 /nfs/dbraw/zinc/82/90/11/352829011.db2.gz QHCYYPUKRHUTQT-IUCAKERBSA-N 2 2 196.319 1.670 10 0 ADAELP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]1C 575590758 352829195 /nfs/dbraw/zinc/82/91/95/352829195.db2.gz LWBQSSYUTVBYAC-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+]1CC[C@H]1C 575590758 352829199 /nfs/dbraw/zinc/82/91/99/352829199.db2.gz LWBQSSYUTVBYAC-KXUCPTDWSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]1C 575590760 352829265 /nfs/dbraw/zinc/82/92/65/352829265.db2.gz LWBQSSYUTVBYAC-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CC[C@H]1C 575590760 352829268 /nfs/dbraw/zinc/82/92/68/352829268.db2.gz LWBQSSYUTVBYAC-UTLUCORTSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@H]1[C@H](C)C[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 575590920 352829618 /nfs/dbraw/zinc/82/96/18/352829618.db2.gz IGXWAXFGFZTITP-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1[C@H](C)C[N@@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 575590920 352829623 /nfs/dbraw/zinc/82/96/23/352829623.db2.gz IGXWAXFGFZTITP-ZNSHCXBVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)[C@H]1C 575590906 352830002 /nfs/dbraw/zinc/83/00/02/352830002.db2.gz IGXWAXFGFZTITP-VLEAKVRGSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)[C@H]1C 575590906 352830004 /nfs/dbraw/zinc/83/00/04/352830004.db2.gz IGXWAXFGFZTITP-VLEAKVRGSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](C)[C@H]2C)C[NH2+]1 575590904 352830069 /nfs/dbraw/zinc/83/00/69/352830069.db2.gz IGXWAXFGFZTITP-DBIOUOCHSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@@H]1CC[C@H]([N@H+]2C[C@@H](C)[C@H]2C)C[NH2+]1 575590904 352830072 /nfs/dbraw/zinc/83/00/72/352830072.db2.gz IGXWAXFGFZTITP-DBIOUOCHSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)[C@@H]1C 575590907 352830103 /nfs/dbraw/zinc/83/01/03/352830103.db2.gz IGXWAXFGFZTITP-ZDCRXTMVSA-N 2 2 182.311 1.467 10 0 ADAELP C[C@H]1C[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)[C@@H]1C 575590907 352830105 /nfs/dbraw/zinc/83/01/05/352830105.db2.gz IGXWAXFGFZTITP-ZDCRXTMVSA-N 2 2 182.311 1.467 10 0 ADAELP C/C(=C\Cl)C[N@H+]1C[C@H]([NH3+])C[C@H]1C 575591280 352831178 /nfs/dbraw/zinc/83/11/78/352831178.db2.gz SUMAMMKOADHEPA-AOZRHXBJSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C\Cl)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 575591280 352831181 /nfs/dbraw/zinc/83/11/81/352831181.db2.gz SUMAMMKOADHEPA-AOZRHXBJSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C/Cl)C[N@H+]1C[C@H]([NH3+])C[C@H]1C 575591282 352831376 /nfs/dbraw/zinc/83/13/76/352831376.db2.gz SUMAMMKOADHEPA-QNVIJMGISA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C/Cl)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 575591282 352831378 /nfs/dbraw/zinc/83/13/78/352831378.db2.gz SUMAMMKOADHEPA-QNVIJMGISA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C/Cl)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 575591281 352831430 /nfs/dbraw/zinc/83/14/30/352831430.db2.gz SUMAMMKOADHEPA-JYUDYDOHSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C/Cl)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 575591281 352831434 /nfs/dbraw/zinc/83/14/34/352831434.db2.gz SUMAMMKOADHEPA-JYUDYDOHSA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C\Cl)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 575591284 352831578 /nfs/dbraw/zinc/83/15/78/352831578.db2.gz SUMAMMKOADHEPA-UFVYQPJESA-N 2 2 188.702 1.551 10 0 ADAELP C/C(=C\Cl)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 575591284 352831580 /nfs/dbraw/zinc/83/15/80/352831580.db2.gz SUMAMMKOADHEPA-UFVYQPJESA-N 2 2 188.702 1.551 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1[C@H]1CCC[C@@H]1[NH3+] 575591365 352831755 /nfs/dbraw/zinc/83/17/55/352831755.db2.gz XXYIBMFBWLRPGC-VLEAKVRGSA-N 2 2 182.311 1.739 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CCC[C@@H]1[NH3+] 575591365 352831756 /nfs/dbraw/zinc/83/17/56/352831756.db2.gz XXYIBMFBWLRPGC-VLEAKVRGSA-N 2 2 182.311 1.739 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1[C@H]1CCC[C@H]1[NH3+] 575591368 352831799 /nfs/dbraw/zinc/83/17/99/352831799.db2.gz XXYIBMFBWLRPGC-YTWAJWBKSA-N 2 2 182.311 1.739 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CCC[C@H]1[NH3+] 575591368 352831801 /nfs/dbraw/zinc/83/18/01/352831801.db2.gz XXYIBMFBWLRPGC-YTWAJWBKSA-N 2 2 182.311 1.739 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CCC[C@@H]1[NH3+] 575591370 352832045 /nfs/dbraw/zinc/83/20/45/352832045.db2.gz XXYIBMFBWLRPGC-ZRUFSTJUSA-N 2 2 182.311 1.739 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 575591370 352832049 /nfs/dbraw/zinc/83/20/49/352832049.db2.gz XXYIBMFBWLRPGC-ZRUFSTJUSA-N 2 2 182.311 1.739 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CCC[C@H]1[NH3+] 575591362 352832073 /nfs/dbraw/zinc/83/20/73/352832073.db2.gz XXYIBMFBWLRPGC-LMLFDSFASA-N 2 2 182.311 1.739 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 575591362 352832077 /nfs/dbraw/zinc/83/20/77/352832077.db2.gz XXYIBMFBWLRPGC-LMLFDSFASA-N 2 2 182.311 1.739 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CC[C@@H]1C 575591515 352832843 /nfs/dbraw/zinc/83/28/43/352832843.db2.gz KZZRFYJLKPRGCM-IVZWLZJFSA-N 2 2 168.284 1.079 10 0 ADAELP CC[C@@H]1C[NH2+]C[C@H]1[N@H+]1CC[C@@H]1C 575591515 352832845 /nfs/dbraw/zinc/83/28/45/352832845.db2.gz KZZRFYJLKPRGCM-IVZWLZJFSA-N 2 2 168.284 1.079 10 0 ADAELP 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/nfs/dbraw/zinc/85/17/71/352851771.db2.gz OFSSLMIAFBTGCR-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[NH2+][C@H](C[N@@H+]2CC[C@H]2C)C1 575594894 352851775 /nfs/dbraw/zinc/85/17/75/352851775.db2.gz OFSSLMIAFBTGCR-MXWKQRLJSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@@H]1C[C@H](C)CC[NH2+]1 575594896 352851859 /nfs/dbraw/zinc/85/18/59/352851859.db2.gz OFSSLMIAFBTGCR-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C1C[NH2+][C@H](C[N@@H+]2CCC23CCC3)C1 575595031 352852235 /nfs/dbraw/zinc/85/22/35/352852235.db2.gz SHXHVWBVTLWZIN-JTQLQIEISA-N 2 2 180.295 1.367 10 0 ADAELP C1C[NH2+][C@H](C[N@H+]2CCC23CCC3)C1 575595031 352852239 /nfs/dbraw/zinc/85/22/39/352852239.db2.gz SHXHVWBVTLWZIN-JTQLQIEISA-N 2 2 180.295 1.367 10 0 ADAELP C1C[NH2+][C@@H](C[N@@H+]2CCC23CCC3)C1 575595032 352852770 /nfs/dbraw/zinc/85/27/70/352852770.db2.gz SHXHVWBVTLWZIN-SNVBAGLBSA-N 2 2 180.295 1.367 10 0 ADAELP C1C[NH2+][C@@H](C[N@H+]2CCC23CCC3)C1 575595032 352852773 /nfs/dbraw/zinc/85/27/73/352852773.db2.gz SHXHVWBVTLWZIN-SNVBAGLBSA-N 2 2 180.295 1.367 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@H]1CCCCC[NH2+]1 575595222 352853790 /nfs/dbraw/zinc/85/37/90/352853790.db2.gz YBPQGGSQHHOPCA-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@H]1CCCCC[NH2+]1 575595222 352853793 /nfs/dbraw/zinc/85/37/93/352853793.db2.gz YBPQGGSQHHOPCA-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@@H]1CCCCC[NH2+]1 575595220 352853841 /nfs/dbraw/zinc/85/38/41/352853841.db2.gz YBPQGGSQHHOPCA-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@@H]1CCCCC[NH2+]1 575595220 352853844 /nfs/dbraw/zinc/85/38/44/352853844.db2.gz YBPQGGSQHHOPCA-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@@H]1CCCCC[NH2+]1 575595221 352853893 /nfs/dbraw/zinc/85/38/93/352853893.db2.gz YBPQGGSQHHOPCA-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@@H]1CCCCC[NH2+]1 575595221 352853895 /nfs/dbraw/zinc/85/38/95/352853895.db2.gz YBPQGGSQHHOPCA-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@H]1CCCCC[NH2+]1 575595219 352853971 /nfs/dbraw/zinc/85/39/71/352853971.db2.gz YBPQGGSQHHOPCA-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@H]1CCCCC[NH2+]1 575595219 352853973 /nfs/dbraw/zinc/85/39/73/352853973.db2.gz YBPQGGSQHHOPCA-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP Cn1c(Cl)c[nH+]c1C[C@@H]1CC[C@H]1[NH3+] 575595329 352854282 /nfs/dbraw/zinc/85/42/82/352854282.db2.gz CGHWDPOIZAXIKH-NKWVEPMBSA-N 2 2 199.685 1.353 10 0 ADAELP Cn1c(Cl)c[nH+]c1C[C@H]1CC[C@@H]1[NH3+] 575595331 352854315 /nfs/dbraw/zinc/85/43/15/352854315.db2.gz CGHWDPOIZAXIKH-RQJHMYQMSA-N 2 2 199.685 1.353 10 0 ADAELP Cn1c(Cl)c[nH+]c1C[C@H]1CC[C@H]1[NH3+] 575595330 352854450 /nfs/dbraw/zinc/85/44/50/352854450.db2.gz CGHWDPOIZAXIKH-RNFRBKRXSA-N 2 2 199.685 1.353 10 0 ADAELP Cn1c(Cl)c[nH+]c1C[C@@H]1CC[C@@H]1[NH3+] 575595328 352854733 /nfs/dbraw/zinc/85/47/33/352854733.db2.gz CGHWDPOIZAXIKH-BQBZGAKWSA-N 2 2 199.685 1.353 10 0 ADAELP Cc1cn(-c2ccccc2C[NH3+])c[nH+]1 575602293 352866475 /nfs/dbraw/zinc/86/64/75/352866475.db2.gz XLUNMDFYSYZIAS-UHFFFAOYSA-N 2 2 187.246 1.639 10 0 ADAELP FC1(C[NH+]2CCC3(CC[NH2+]3)CC2)CC1 643427587 352950756 /nfs/dbraw/zinc/95/07/56/352950756.db2.gz CFGYEIXTDTZOSE-UHFFFAOYSA-N 2 2 198.285 1.316 10 0 ADAELP C[C@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]C1 643473888 352959825 /nfs/dbraw/zinc/95/98/25/352959825.db2.gz DDHPQVUDLYXGGA-KOLCDFICSA-N 2 2 194.278 1.162 10 0 ADAELP C[C@@H](Cc1ccoc1)[NH2+][C@H]1CC[NH2+]C1 643473889 352960005 /nfs/dbraw/zinc/96/00/05/352960005.db2.gz DDHPQVUDLYXGGA-ONGXEEELSA-N 2 2 194.278 1.162 10 0 ADAELP C[NH2+]CC[NH2+][C@@H](C)Cc1ccoc1 643504549 352975671 /nfs/dbraw/zinc/97/56/71/352975671.db2.gz FXUSOYPXROGSPL-VIFPVBQESA-N 2 2 182.267 1.020 10 0 ADAELP C[NH2+]CC[NH2+][C@H](C)Cc1ccoc1 643504548 352976237 /nfs/dbraw/zinc/97/62/37/352976237.db2.gz FXUSOYPXROGSPL-SECBINFHSA-N 2 2 182.267 1.020 10 0 ADAELP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccoc1 643505603 352979062 /nfs/dbraw/zinc/97/90/62/352979062.db2.gz HTCWIQIHWGWFGQ-JTQLQIEISA-N 2 2 196.294 1.410 10 0 ADAELP CC[NH2+]CC[NH2+][C@H](C)Cc1ccoc1 643505604 352979259 /nfs/dbraw/zinc/97/92/59/352979259.db2.gz HTCWIQIHWGWFGQ-SNVBAGLBSA-N 2 2 196.294 1.410 10 0 ADAELP Cc1ccc([C@@H](C)[NH2+]CC2C[NH2+]C2)o1 643515648 352987413 /nfs/dbraw/zinc/98/74/13/352987413.db2.gz BFEPZTPCBJJYRV-SECBINFHSA-N 2 2 194.278 1.458 10 0 ADAELP Cc1ccc([C@H](C)[NH2+]CC2C[NH2+]C2)o1 643515649 352987642 /nfs/dbraw/zinc/98/76/42/352987642.db2.gz BFEPZTPCBJJYRV-VIFPVBQESA-N 2 2 194.278 1.458 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 643535372 353000678 /nfs/dbraw/zinc/00/06/78/353000678.db2.gz CTBBCCRIQNKSSF-VGMNWLOBSA-N 2 2 174.263 1.075 10 0 ADAELP CC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 643535371 353000689 /nfs/dbraw/zinc/00/06/89/353000689.db2.gz CTBBCCRIQNKSSF-CIUDSAMLSA-N 2 2 174.263 1.075 10 0 ADAELP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccoc1 643539903 353001456 /nfs/dbraw/zinc/00/14/56/353001456.db2.gz RIWNDLLWZVHONJ-YIZRAAEISA-N 2 2 182.267 1.666 10 0 ADAELP C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccoc1 643539902 353001477 /nfs/dbraw/zinc/00/14/77/353001477.db2.gz RIWNDLLWZVHONJ-VGMNWLOBSA-N 2 2 182.267 1.666 10 0 ADAELP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccoc1 643539900 353001662 /nfs/dbraw/zinc/00/16/62/353001662.db2.gz RIWNDLLWZVHONJ-CIUDSAMLSA-N 2 2 182.267 1.666 10 0 ADAELP C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccoc1 643539901 353001667 /nfs/dbraw/zinc/00/16/67/353001667.db2.gz RIWNDLLWZVHONJ-HLTSFMKQSA-N 2 2 182.267 1.666 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC12CC2 643800354 353006748 /nfs/dbraw/zinc/00/67/48/353006748.db2.gz VDSAPRXOTQSMBN-BBBLOLIVSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC12CC2 643800354 353006751 /nfs/dbraw/zinc/00/67/51/353006751.db2.gz VDSAPRXOTQSMBN-BBBLOLIVSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC12CC2 643800357 353006800 /nfs/dbraw/zinc/00/68/00/353006800.db2.gz VDSAPRXOTQSMBN-UTLUCORTSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC12CC2 643800357 353006802 /nfs/dbraw/zinc/00/68/02/353006802.db2.gz VDSAPRXOTQSMBN-UTLUCORTSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC12CC2 643800356 353006875 /nfs/dbraw/zinc/00/68/75/353006875.db2.gz VDSAPRXOTQSMBN-OPRDCNLKSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC12CC2 643800356 353006876 /nfs/dbraw/zinc/00/68/76/353006876.db2.gz VDSAPRXOTQSMBN-OPRDCNLKSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC12CC2 643800355 353006916 /nfs/dbraw/zinc/00/69/16/353006916.db2.gz VDSAPRXOTQSMBN-KXUCPTDWSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC12CC2 643800355 353006918 /nfs/dbraw/zinc/00/69/18/353006918.db2.gz VDSAPRXOTQSMBN-KXUCPTDWSA-N 2 2 180.295 1.079 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 643808373 353007603 /nfs/dbraw/zinc/00/76/03/353007603.db2.gz PEQUJXNJCQBPPZ-ZIQFBCGOSA-N 2 2 194.322 1.325 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 643808373 353007606 /nfs/dbraw/zinc/00/76/06/353007606.db2.gz PEQUJXNJCQBPPZ-ZIQFBCGOSA-N 2 2 194.322 1.325 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 643808371 353007623 /nfs/dbraw/zinc/00/76/23/353007623.db2.gz PEQUJXNJCQBPPZ-RMPHRYRLSA-N 2 2 194.322 1.325 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 643808371 353007625 /nfs/dbraw/zinc/00/76/25/353007625.db2.gz PEQUJXNJCQBPPZ-RMPHRYRLSA-N 2 2 194.322 1.325 10 0 ADAELP CC(C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51357112 371635563 /nfs/dbraw/zinc/63/55/63/371635563.db2.gz LTQBUTVRZPYPEU-WDEREUQCSA-N 2 2 182.311 1.611 10 0 ADAELP CC(C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51357112 371635570 /nfs/dbraw/zinc/63/55/70/371635570.db2.gz LTQBUTVRZPYPEU-WDEREUQCSA-N 2 2 182.311 1.611 10 0 ADAELP C[C@@H]1CCN(c2cc[nH+]c(C[NH3+])c2)C1 51397178 371635761 /nfs/dbraw/zinc/63/57/61/371635761.db2.gz FKEKEPJFRZTADY-SECBINFHSA-N 2 2 191.278 1.387 10 0 ADAELP C[C@@H]1CCCN1c1cc[nH+]c(C[NH3+])c1 51396084 371635944 /nfs/dbraw/zinc/63/59/44/371635944.db2.gz RDLKZWHZYWNQCJ-SECBINFHSA-N 2 2 191.278 1.529 10 0 ADAELP Cc1[nH]c2c([nH+]1)Cc1[nH+]c(C)[nH]c1C2 211662773 371708420 /nfs/dbraw/zinc/70/84/20/371708420.db2.gz JOCIMOUWHWJCQL-UHFFFAOYSA-N 2 2 188.234 1.245 10 0 ADAELP Cc1[nH]c2c([nH+]1)Cc1[nH]c(C)[nH+]c1C2 211662773 371708427 /nfs/dbraw/zinc/70/84/27/371708427.db2.gz JOCIMOUWHWJCQL-UHFFFAOYSA-N 2 2 188.234 1.245 10 0 ADAELP CC[C@H](C)[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 222647218 371716708 /nfs/dbraw/zinc/71/67/08/371716708.db2.gz COXGXXRZIDCPBH-VWYCJHECSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 222647218 371716714 /nfs/dbraw/zinc/71/67/14/371716714.db2.gz COXGXXRZIDCPBH-VWYCJHECSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1C[C@H](n2cc[nH+]c2)CC[NH2+]1 222940540 371717581 /nfs/dbraw/zinc/71/75/81/371717581.db2.gz SBSPHCINJDVPNJ-RKDXNWHRSA-N 2 2 165.240 1.196 10 0 ADAELP C[C@@H]([NH3+])CSc1ccc(N)[nH+]c1 222934531 371717734 /nfs/dbraw/zinc/71/77/34/371717734.db2.gz ISYFSVGSIMQYRK-ZCFIWIBFSA-N 2 2 183.280 1.103 10 0 ADAELP C[C@H]([NH3+])CSc1ccc(N)[nH+]c1 222934588 371717821 /nfs/dbraw/zinc/71/78/21/371717821.db2.gz ISYFSVGSIMQYRK-LURJTMIESA-N 2 2 183.280 1.103 10 0 ADAELP C[C@@H]1C[C@@H](n2cc[nH+]c2)CC[NH2+]1 222940674 371717947 /nfs/dbraw/zinc/71/79/47/371717947.db2.gz SBSPHCINJDVPNJ-BDAKNGLRSA-N 2 2 165.240 1.196 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@]1(C)CCCC[NH2+]1 306294020 371750312 /nfs/dbraw/zinc/75/03/12/371750312.db2.gz VSYPRGCCEPZFHW-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@]1(C)CCCC[NH2+]1 306294018 371750165 /nfs/dbraw/zinc/75/01/65/371750165.db2.gz VSYPRGCCEPZFHW-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@]1(C)CCCC[NH2+]1 306294018 371750172 /nfs/dbraw/zinc/75/01/72/371750172.db2.gz VSYPRGCCEPZFHW-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@@]1(C)CCCC[NH2+]1 306294017 371750212 /nfs/dbraw/zinc/75/02/12/371750212.db2.gz VSYPRGCCEPZFHW-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@@]1(C)CCCC[NH2+]1 306294017 371750219 /nfs/dbraw/zinc/75/02/19/371750219.db2.gz VSYPRGCCEPZFHW-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@@]1(C)CCCC[NH2+]1 306294022 371750266 /nfs/dbraw/zinc/75/02/66/371750266.db2.gz VSYPRGCCEPZFHW-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@H+]1C[C@@]1(C)CCCC[NH2+]1 306294022 371750271 /nfs/dbraw/zinc/75/02/71/371750271.db2.gz VSYPRGCCEPZFHW-WDEREUQCSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1CC[N@@H+]1C[C@]1(C)CCCC[NH2+]1 306294020 371750307 /nfs/dbraw/zinc/75/03/07/371750307.db2.gz VSYPRGCCEPZFHW-QWRGUYRKSA-N 2 2 182.311 1.613 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1Cn1cc[nH+]c1 306491948 371756448 /nfs/dbraw/zinc/75/64/48/371756448.db2.gz PGJONVWKSHHIFQ-ZJUUUORDSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1Cn1cc[nH+]c1 306491945 371756463 /nfs/dbraw/zinc/75/64/63/371756463.db2.gz PGJONVWKSHHIFQ-NXEZZACHSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1Cn1cc[nH+]c1 306491946 371756909 /nfs/dbraw/zinc/75/69/09/371756909.db2.gz PGJONVWKSHHIFQ-UWVGGRQHSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1Cn1cc[nH+]c1 306491947 371757104 /nfs/dbraw/zinc/75/71/04/371757104.db2.gz PGJONVWKSHHIFQ-VHSXEESVSA-N 2 2 179.267 1.271 10 0 ADAELP C[C@H]1[NH2+]CC[C@@H]1[NH+]1CC(C)(C)C1 306519732 371759726 /nfs/dbraw/zinc/75/97/26/371759726.db2.gz CSKZZJSPBLWUNP-BDAKNGLRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CC[C@@H]1[NH+]1CC(C)(C)C1 306519734 371759876 /nfs/dbraw/zinc/75/98/76/371759876.db2.gz CSKZZJSPBLWUNP-IUCAKERBSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@H]1[NH2+]CC[C@H]1[NH+]1CC(C)(C)C1 306519735 371759930 /nfs/dbraw/zinc/75/99/30/371759930.db2.gz CSKZZJSPBLWUNP-RKDXNWHRSA-N 2 2 168.284 1.079 10 0 ADAELP C[C@@H]1[NH2+]CC[C@H]1[NH+]1CC(C)(C)C1 306519733 371760016 /nfs/dbraw/zinc/76/00/16/371760016.db2.gz CSKZZJSPBLWUNP-DTWKUNHWSA-N 2 2 168.284 1.079 10 0 ADAELP Cc1[nH]c(C[NH+]2[C@@H](C)C[C@@H]2C)c[nH+]1 306928756 371768226 /nfs/dbraw/zinc/76/82/26/371768226.db2.gz ZFJFFLQAQOBDBJ-YUMQZZPRSA-N 2 2 179.267 1.701 10 0 ADAELP Cc1[nH]c(C[N@@H+]2[C@@H](C)C[C@H]2C)c[nH+]1 306928755 371768270 /nfs/dbraw/zinc/76/82/70/371768270.db2.gz ZFJFFLQAQOBDBJ-OCAPTIKFSA-N 2 2 179.267 1.701 10 0 ADAELP Cc1[nH]c(C[N@H+]2[C@@H](C)C[C@H]2C)c[nH+]1 306928755 371768280 /nfs/dbraw/zinc/76/82/80/371768280.db2.gz ZFJFFLQAQOBDBJ-OCAPTIKFSA-N 2 2 179.267 1.701 10 0 ADAELP Cc1[nH]c(C[NH+]2[C@H](C)C[C@H]2C)c[nH+]1 306928754 371768458 /nfs/dbraw/zinc/76/84/58/371768458.db2.gz ZFJFFLQAQOBDBJ-HTQZYQBOSA-N 2 2 179.267 1.701 10 0 ADAELP C1C[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]3)C[C@@H]2C1 307136691 371773091 /nfs/dbraw/zinc/77/30/91/371773091.db2.gz VIWWLAQFYDBKRF-AXFHLTTASA-N 2 2 180.295 1.080 10 0 ADAELP C1C[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]3)C[C@@H]2C1 307136691 371773096 /nfs/dbraw/zinc/77/30/96/371773096.db2.gz VIWWLAQFYDBKRF-AXFHLTTASA-N 2 2 180.295 1.080 10 0 ADAELP C1C[C@@H]2C[NH+](C[C@@H]3CC[NH2+]3)C[C@H]2C1 307136693 371773212 /nfs/dbraw/zinc/77/32/12/371773212.db2.gz VIWWLAQFYDBKRF-MXWKQRLJSA-N 2 2 180.295 1.080 10 0 ADAELP C1C[C@@H]2C[N@H+](C[C@H]3CC[NH2+]3)C[C@@H]2C1 307136694 371773324 /nfs/dbraw/zinc/77/33/24/371773324.db2.gz VIWWLAQFYDBKRF-OUAUKWLOSA-N 2 2 180.295 1.080 10 0 ADAELP C1C[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]3)C[C@@H]2C1 307136694 371773326 /nfs/dbraw/zinc/77/33/26/371773326.db2.gz VIWWLAQFYDBKRF-OUAUKWLOSA-N 2 2 180.295 1.080 10 0 ADAELP C1C[C@@H]2C[NH+](C[C@H]3CC[NH2+]3)C[C@H]2C1 307136692 371773369 /nfs/dbraw/zinc/77/33/69/371773369.db2.gz VIWWLAQFYDBKRF-GMTAPVOTSA-N 2 2 180.295 1.080 10 0 ADAELP Cc1ccc[nH+]c1NC1C[NH+](C)C1 307756906 371784031 /nfs/dbraw/zinc/78/40/31/371784031.db2.gz JJGGFLCBFPEFTQ-UHFFFAOYSA-N 2 2 177.251 1.116 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C 321640566 371790666 /nfs/dbraw/zinc/79/06/66/371790666.db2.gz UTSYGVHLZMLZBR-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C 321640566 371790670 /nfs/dbraw/zinc/79/06/70/371790670.db2.gz UTSYGVHLZMLZBR-KKOKHZNYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1C[C@H]1C 321640569 371790811 /nfs/dbraw/zinc/79/08/11/371790811.db2.gz UTSYGVHLZMLZBR-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1C[C@H]1C 321640569 371790815 /nfs/dbraw/zinc/79/08/15/371790815.db2.gz UTSYGVHLZMLZBR-RHYQMDGZSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1C[C@H]1C 321640568 371791114 /nfs/dbraw/zinc/79/11/14/371791114.db2.gz UTSYGVHLZMLZBR-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1C[C@H]1C 321640568 371791118 /nfs/dbraw/zinc/79/11/18/371791118.db2.gz UTSYGVHLZMLZBR-KXNHARMFSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C 321640571 371791192 /nfs/dbraw/zinc/79/11/92/371791192.db2.gz UTSYGVHLZMLZBR-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C 321640571 371791199 /nfs/dbraw/zinc/79/11/99/371791199.db2.gz UTSYGVHLZMLZBR-WYUUTHIRSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC12CC2 644166553 371879982 /nfs/dbraw/zinc/87/99/82/371879982.db2.gz ZSTLONGPNFCMRT-UTLUCORTSA-N 2 2 180.295 1.127 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC12CC2 644166551 371880673 /nfs/dbraw/zinc/88/06/73/371880673.db2.gz ZSTLONGPNFCMRT-KXUCPTDWSA-N 2 2 180.295 1.127 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC12CC2 644166552 371881201 /nfs/dbraw/zinc/88/12/01/371881201.db2.gz ZSTLONGPNFCMRT-OPRDCNLKSA-N 2 2 180.295 1.127 10 0 ADAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC12CC2 644166550 371881360 /nfs/dbraw/zinc/88/13/60/371881360.db2.gz ZSTLONGPNFCMRT-BBBLOLIVSA-N 2 2 180.295 1.127 10 0 ADAELP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@H]1C 645218858 371953789 /nfs/dbraw/zinc/95/37/89/371953789.db2.gz XACIITWSIXXDOW-QWRGUYRKSA-N 2 2 193.294 1.613 10 0 ADAELP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@H]1C 645218858 371953792 /nfs/dbraw/zinc/95/37/92/371953792.db2.gz XACIITWSIXXDOW-QWRGUYRKSA-N 2 2 193.294 1.613 10 0 ADAELP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H]1C 645218854 371954275 /nfs/dbraw/zinc/95/42/75/371954275.db2.gz XACIITWSIXXDOW-GHMZBOCLSA-N 2 2 193.294 1.613 10 0 ADAELP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H]1C 645218854 371954277 /nfs/dbraw/zinc/95/42/77/371954277.db2.gz XACIITWSIXXDOW-GHMZBOCLSA-N 2 2 193.294 1.613 10 0 ADAELP C[C@H]1[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 645218856 371954296 /nfs/dbraw/zinc/95/42/96/371954296.db2.gz XACIITWSIXXDOW-MNOVXSKESA-N 2 2 193.294 1.613 10 0 ADAELP C[C@H]1[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 645218856 371954300 /nfs/dbraw/zinc/95/43/00/371954300.db2.gz XACIITWSIXXDOW-MNOVXSKESA-N 2 2 193.294 1.613 10 0 ADAELP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H]1C 645218859 371954392 /nfs/dbraw/zinc/95/43/92/371954392.db2.gz XACIITWSIXXDOW-WDEREUQCSA-N 2 2 193.294 1.613 10 0 ADAELP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H]1C 645218859 371954396 /nfs/dbraw/zinc/95/43/96/371954396.db2.gz XACIITWSIXXDOW-WDEREUQCSA-N 2 2 193.294 1.613 10 0 ADAELP C[NH+]1CCC([NH2+]Cc2ccoc2)CC1 62136887 375310312 /nfs/dbraw/zinc/31/03/12/375310312.db2.gz HHEUCZUONGTAAZ-UHFFFAOYSA-N 2 2 194.278 1.463 10 0 ADAELP CCn1cc[nH+]c1Cn1cc[nH+]c1C 70162861 375322044 /nfs/dbraw/zinc/32/20/44/375322044.db2.gz QPHOYCIKAPMBDD-UHFFFAOYSA-N 2 2 190.250 1.456 10 0 ADAELP CCn1cc[nH+]c1Cn1cc[nH+]c1 70162859 375322341 /nfs/dbraw/zinc/32/23/41/375322341.db2.gz HVUUHWISAVOPPM-UHFFFAOYSA-N 2 2 176.223 1.148 10 0 ADAELP Cc1[nH+]ccn1CC[NH+]1CCCCC1 70162784 375322681 /nfs/dbraw/zinc/32/26/81/375322681.db2.gz ABHSPAJVUAZCBP-UHFFFAOYSA-N 2 2 193.294 1.677 10 0 ADAELP CC[N@@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584359 375335272 /nfs/dbraw/zinc/33/52/72/375335272.db2.gz PPAZNXCDVRJLMX-SECBINFHSA-N 2 2 156.273 1.079 10 0 ADAELP CC[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584358 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CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 648731985 375739194 /nfs/dbraw/zinc/73/91/94/375739194.db2.gz BGBBHKJUOATNDR-WISYIIOYSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 648731983 375739474 /nfs/dbraw/zinc/73/94/74/375739474.db2.gz BGBBHKJUOATNDR-USZNOCQGSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 648731983 375739479 /nfs/dbraw/zinc/73/94/79/375739479.db2.gz BGBBHKJUOATNDR-USZNOCQGSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 648731984 375739645 /nfs/dbraw/zinc/73/96/45/375739645.db2.gz BGBBHKJUOATNDR-WHOHXGKFSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 648731984 375739650 /nfs/dbraw/zinc/73/96/50/375739650.db2.gz BGBBHKJUOATNDR-WHOHXGKFSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C 648731986 375739754 /nfs/dbraw/zinc/73/97/54/375739754.db2.gz BGBBHKJUOATNDR-WYUUTHIRSA-N 2 2 196.338 1.572 10 0 ADAELP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 648731986 375739760 /nfs/dbraw/zinc/73/97/60/375739760.db2.gz BGBBHKJUOATNDR-WYUUTHIRSA-N 2 2 196.338 1.572 10 0 ADAELP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)[NH+](C)C 648771022 375746145 /nfs/dbraw/zinc/74/61/45/375746145.db2.gz YKKIZVJFGDPLFT-LMLFDSFASA-N 2 2 184.327 1.571 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]C[C@H](C)[NH+](C)C 648771023 375746443 /nfs/dbraw/zinc/74/64/43/375746443.db2.gz YKKIZVJFGDPLFT-VPOLOUISSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)[NH+](C)C 648771005 375746510 /nfs/dbraw/zinc/74/65/10/375746510.db2.gz HRNWYXWWJBJMRD-AXFHLTTASA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)[NH+](C)C 648771006 375746824 /nfs/dbraw/zinc/74/68/24/375746824.db2.gz HRNWYXWWJBJMRD-HBNTYKKESA-N 2 2 198.354 1.961 10 0 ADAELP CCC[C@@H](C)C[NH2+]C[C@H](C)[NH+](C)C 38088155 409338486 /nfs/dbraw/zinc/33/84/86/409338486.db2.gz UOARUBMWDACLSV-MNOVXSKESA-N 2 2 186.343 1.962 10 0 ADAELP CCC[C@H](C)C[NH2+]C[C@H](C)[NH+](C)C 38088156 409340273 /nfs/dbraw/zinc/34/02/73/409340273.db2.gz UOARUBMWDACLSV-QWRGUYRKSA-N 2 2 186.343 1.962 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](C)C(C)(C)C 652317918 409352069 /nfs/dbraw/zinc/35/20/69/409352069.db2.gz HCYHAAODVJVSBI-AXFHLTTASA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](C)C(C)(C)C 652317918 409352066 /nfs/dbraw/zinc/35/20/66/409352066.db2.gz HCYHAAODVJVSBI-AXFHLTTASA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](C)C(C)(C)C 652317919 409352500 /nfs/dbraw/zinc/35/25/00/409352500.db2.gz HCYHAAODVJVSBI-HBNTYKKESA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](C)C(C)(C)C 652317919 409352505 /nfs/dbraw/zinc/35/25/05/409352505.db2.gz HCYHAAODVJVSBI-HBNTYKKESA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(C1)CC2(F)F 652364369 409354638 /nfs/dbraw/zinc/35/46/38/409354638.db2.gz KZLOJMFRRSKQOK-HTQZYQBOSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(C1)CC2(F)F 652364369 409354641 /nfs/dbraw/zinc/35/46/41/409354641.db2.gz KZLOJMFRRSKQOK-HTQZYQBOSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(C1)CC2(F)F 652364370 409355231 /nfs/dbraw/zinc/35/52/31/409355231.db2.gz KZLOJMFRRSKQOK-JGVFFNPUSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CC[C@]2(C1)CC2(F)F 652364370 409355235 /nfs/dbraw/zinc/35/52/35/409355235.db2.gz KZLOJMFRRSKQOK-JGVFFNPUSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(C1)CC2(F)F 652364372 409355500 /nfs/dbraw/zinc/35/55/00/409355500.db2.gz KZLOJMFRRSKQOK-YUMQZZPRSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(C1)CC2(F)F 652364372 409355503 /nfs/dbraw/zinc/35/55/03/409355503.db2.gz KZLOJMFRRSKQOK-YUMQZZPRSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(C1)CC2(F)F 652364371 409355544 /nfs/dbraw/zinc/35/55/44/409355544.db2.gz KZLOJMFRRSKQOK-SFYZADRCSA-N 2 2 190.237 1.065 10 0 ADAELP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(C1)CC2(F)F 652364371 409355548 /nfs/dbraw/zinc/35/55/48/409355548.db2.gz KZLOJMFRRSKQOK-SFYZADRCSA-N 2 2 190.237 1.065 10 0 ADAELP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)o1 53036832 409383818 /nfs/dbraw/zinc/38/38/18/409383818.db2.gz WIHSBRLZLXRTBR-UHFFFAOYSA-N 2 2 194.278 1.430 10 0 ADAELP CCC[NH2+]CCNc1cc(C)[nH+]cn1 54267572 409391921 /nfs/dbraw/zinc/39/19/21/409391921.db2.gz SQUVZPWDACPTMG-UHFFFAOYSA-N 2 2 194.282 1.197 10 0 ADAELP CC[NH2+]CCCNc1cc[nH+]c(C)n1 54936772 409395019 /nfs/dbraw/zinc/39/50/19/409395019.db2.gz JBAQXLMIMBWYMQ-UHFFFAOYSA-N 2 2 194.282 1.197 10 0 ADAELP CCC[NH2+]CCNc1cc[nH+]c(C)n1 54936901 409395278 /nfs/dbraw/zinc/39/52/78/409395278.db2.gz KRLIXMRLMWJOLN-UHFFFAOYSA-N 2 2 194.282 1.197 10 0 ADAELP Cc1nc(NC[C@H]([NH3+])C(C)C)cc[nH+]1 70010655 409416228 /nfs/dbraw/zinc/41/62/28/409416228.db2.gz DAQPITNVNWFKON-VIFPVBQESA-N 2 2 194.282 1.180 10 0 ADAELP Cc1cccc(NC[C@H]([NH3+])C(C)C)[nH+]1 70010639 409416970 /nfs/dbraw/zinc/41/69/70/409416970.db2.gz BIDLPOCLHWDFAG-JTQLQIEISA-N 2 2 193.294 1.785 10 0 ADAELP Cc1cccc(NC[C@@H]([NH3+])C(C)C)[nH+]1 70010642 409417239 /nfs/dbraw/zinc/41/72/39/409417239.db2.gz BIDLPOCLHWDFAG-SNVBAGLBSA-N 2 2 193.294 1.785 10 0 ADAELP Cc1nc(NC[C@@H]([NH3+])C(C)C)cc[nH+]1 70010657 409417593 /nfs/dbraw/zinc/41/75/93/409417593.db2.gz DAQPITNVNWFKON-SECBINFHSA-N 2 2 194.282 1.180 10 0 ADAELP CC(C)C[N@@H+]1CC2CCC1(C[NH3+])CC2 655947524 409419712 /nfs/dbraw/zinc/41/97/12/409419712.db2.gz ORNBAZQPNYBNQR-UHFFFAOYSA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)C[N@H+]1CC2CCC1(C[NH3+])CC2 655947524 409419715 /nfs/dbraw/zinc/41/97/15/409419715.db2.gz ORNBAZQPNYBNQR-UHFFFAOYSA-N 2 2 196.338 1.846 10 0 ADAELP CCCC[N@@H+]1CC2CCC1(C[NH3+])CC2 655946422 409419744 /nfs/dbraw/zinc/41/97/44/409419744.db2.gz DRLCPYPPEATNIZ-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP CCCC[N@H+]1CC2CCC1(C[NH3+])CC2 655946422 409419748 /nfs/dbraw/zinc/41/97/48/409419748.db2.gz DRLCPYPPEATNIZ-UHFFFAOYSA-N 2 2 196.338 1.990 10 0 ADAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CC1CC1 655941965 409420176 /nfs/dbraw/zinc/42/01/76/409420176.db2.gz GNVRCEHPALHOQQ-UHFFFAOYSA-N 2 2 194.322 1.600 10 0 ADAELP [NH3+]CC12CCC(CC1)C[N@H+]2CC1CC1 655941965 409420181 /nfs/dbraw/zinc/42/01/81/409420181.db2.gz GNVRCEHPALHOQQ-UHFFFAOYSA-N 2 2 194.322 1.600 10 0 ADAELP CCC[N@@H+]1CC2CCC1(C[NH3+])CC2 655948467 409420319 /nfs/dbraw/zinc/42/03/19/409420319.db2.gz XPQGFAOZBLFGJK-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP CCC[N@H+]1CC2CCC1(C[NH3+])CC2 655948467 409420323 /nfs/dbraw/zinc/42/03/23/409420323.db2.gz XPQGFAOZBLFGJK-UHFFFAOYSA-N 2 2 182.311 1.600 10 0 ADAELP CC[C@@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 655942590 409420391 /nfs/dbraw/zinc/42/03/91/409420391.db2.gz UCUOKQWGJFDRLL-VOMCLLRMSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 655942590 409420394 /nfs/dbraw/zinc/42/03/94/409420394.db2.gz UCUOKQWGJFDRLL-VOMCLLRMSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 655942589 409420838 /nfs/dbraw/zinc/42/08/38/409420838.db2.gz UCUOKQWGJFDRLL-UNXYVOJBSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 655942589 409420844 /nfs/dbraw/zinc/42/08/44/409420844.db2.gz UCUOKQWGJFDRLL-UNXYVOJBSA-N 2 2 196.338 1.988 10 0 ADAELP CC(C)[N@@H+]1CC2CCC1(C[NH3+])CC2 655946081 409420931 /nfs/dbraw/zinc/42/09/31/409420931.db2.gz BDOXGCMUXFOSMI-UHFFFAOYSA-N 2 2 182.311 1.598 10 0 ADAELP CC(C)[N@H+]1CC2CCC1(C[NH3+])CC2 655946081 409420933 /nfs/dbraw/zinc/42/09/33/409420933.db2.gz BDOXGCMUXFOSMI-UHFFFAOYSA-N 2 2 182.311 1.598 10 0 ADAELP CCC[N@H+](C)CCc1c[nH+]cn1C 656426129 409428860 /nfs/dbraw/zinc/42/88/60/409428860.db2.gz HYBQVTGSYUMERA-UHFFFAOYSA-N 2 2 181.283 1.304 10 0 ADAELP CCC[N@@H+](C)CCc1c[nH+]cn1C 656426129 409428865 /nfs/dbraw/zinc/42/88/65/409428865.db2.gz HYBQVTGSYUMERA-UHFFFAOYSA-N 2 2 181.283 1.304 10 0 ADAELP CC[C@H](C)[N@H+](C)CCc1c[nH+]cn1C 656466426 409435606 /nfs/dbraw/zinc/43/56/06/409435606.db2.gz FMYNDANEUAPKGB-JTQLQIEISA-N 2 2 195.310 1.693 10 0 ADAELP CC[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C 656466426 409435608 /nfs/dbraw/zinc/43/56/08/409435608.db2.gz FMYNDANEUAPKGB-JTQLQIEISA-N 2 2 195.310 1.693 10 0 ADAELP CC[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C 656466427 409435891 /nfs/dbraw/zinc/43/58/91/409435891.db2.gz FMYNDANEUAPKGB-SNVBAGLBSA-N 2 2 195.310 1.693 10 0 ADAELP CC[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C 656466427 409435895 /nfs/dbraw/zinc/43/58/95/409435895.db2.gz FMYNDANEUAPKGB-SNVBAGLBSA-N 2 2 195.310 1.693 10 0 ADAELP C[N@H+](CC(C)(C)[NH3+])CC1(F)CC1 656785215 409450519 /nfs/dbraw/zinc/45/05/19/409450519.db2.gz LQWBXKBZEBLXOE-UHFFFAOYSA-N 2 2 174.263 1.158 10 0 ADAELP C[N@@H+](CC(C)(C)[NH3+])CC1(F)CC1 656785215 409450521 /nfs/dbraw/zinc/45/05/21/409450521.db2.gz LQWBXKBZEBLXOE-UHFFFAOYSA-N 2 2 174.263 1.158 10 0 ADAELP Cn1c[nH+]c(CC[NH2+]CC2(C)CC2)c1 656857169 409451776 /nfs/dbraw/zinc/45/17/76/409451776.db2.gz FSALGSQXHUNISK-UHFFFAOYSA-N 2 2 193.294 1.352 10 0 ADAELP C[C@H]1C[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 656857164 409452294 /nfs/dbraw/zinc/45/22/94/409452294.db2.gz DMLBYNWRDFXNST-VHSXEESVSA-N 2 2 193.294 1.208 10 0 ADAELP C[C@@H]1C[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 656857162 409452324 /nfs/dbraw/zinc/45/23/24/409452324.db2.gz DMLBYNWRDFXNST-NXEZZACHSA-N 2 2 193.294 1.208 10 0 ADAELP C[C@H]1C[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 656857163 409452733 /nfs/dbraw/zinc/45/27/33/409452733.db2.gz DMLBYNWRDFXNST-UWVGGRQHSA-N 2 2 193.294 1.208 10 0 ADAELP C[C@@H]1C[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 656857166 409452968 /nfs/dbraw/zinc/45/29/68/409452968.db2.gz DMLBYNWRDFXNST-ZJUUUORDSA-N 2 2 193.294 1.208 10 0 ADAELP C[C@H]([NH3+])CNc1cc[nH+]c(C2CC2)n1 107179952 409456581 /nfs/dbraw/zinc/45/65/81/409456581.db2.gz DCQWESDYCLDDED-ZETCQYMHSA-N 2 2 192.266 1.113 10 0 ADAELP C[C@H](C[NH3+])Nc1cc[nH+]c(C2CC2)n1 107179963 409456851 /nfs/dbraw/zinc/45/68/51/409456851.db2.gz VSYBWLHQHRXAKM-SSDOTTSWSA-N 2 2 192.266 1.113 10 0 ADAELP C[C@@H]([NH3+])CNc1cc[nH+]c(C2CC2)n1 107179956 409457419 /nfs/dbraw/zinc/45/74/19/409457419.db2.gz DCQWESDYCLDDED-SSDOTTSWSA-N 2 2 192.266 1.113 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C 107785260 409458891 /nfs/dbraw/zinc/45/88/91/409458891.db2.gz SPCBLEXKNQBGRS-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C 107785260 409458887 /nfs/dbraw/zinc/45/88/87/409458887.db2.gz SPCBLEXKNQBGRS-ZJUUUORDSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C 107785263 409459821 /nfs/dbraw/zinc/45/98/21/409459821.db2.gz SPCBLEXKNQBGRS-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C 107785263 409459825 /nfs/dbraw/zinc/45/98/25/409459825.db2.gz SPCBLEXKNQBGRS-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CC1([NH3+])CCN(c2cccc[nH+]2)CC1 114310098 409463718 /nfs/dbraw/zinc/46/37/18/409463718.db2.gz XLHWUXNIDRLYMW-UHFFFAOYSA-N 2 2 191.278 1.399 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@H](C)C(C)C)n1C 657291959 409466985 /nfs/dbraw/zinc/46/69/85/409466985.db2.gz BAGBKNCGBMNKGR-SECBINFHSA-N 2 2 195.310 1.863 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@@H](C)C2CC2)n1C 657292992 409467574 /nfs/dbraw/zinc/46/75/74/409467574.db2.gz HTYPTTDLBZUUEY-QMMMGPOBSA-N 2 2 193.294 1.617 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@@H](C)C(C)C)n1C 657291960 409468344 /nfs/dbraw/zinc/46/83/44/409468344.db2.gz BAGBKNCGBMNKGR-VIFPVBQESA-N 2 2 195.310 1.863 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H]2C)n1C 657466419 409477097 /nfs/dbraw/zinc/47/70/97/409477097.db2.gz UVTBKJPFVLJRJF-KWQFWETISA-N 2 2 193.294 1.617 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H]2C)n1C 657466418 409477301 /nfs/dbraw/zinc/47/73/01/409477301.db2.gz UVTBKJPFVLJRJF-KCJUWKMLSA-N 2 2 193.294 1.617 10 0 ADAELP Cc1[nH+]cc(C[NH2+]CCCCF)n1C 657469403 409477476 /nfs/dbraw/zinc/47/74/76/409477476.db2.gz HNNONGQQYCEMNK-UHFFFAOYSA-N 2 2 199.273 1.568 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]2C)n1C 657466420 409477846 /nfs/dbraw/zinc/47/78/46/409477846.db2.gz UVTBKJPFVLJRJF-LDYMZIIASA-N 2 2 193.294 1.617 10 0 ADAELP Cc1[nH+]cc(C[NH2+]CC[C@H](C)F)n1C 657475163 409477887 /nfs/dbraw/zinc/47/78/87/409477887.db2.gz KRYZZVFDEAYEEJ-QMMMGPOBSA-N 2 2 199.273 1.566 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]2C)n1C 657466417 409477935 /nfs/dbraw/zinc/47/79/35/409477935.db2.gz UVTBKJPFVLJRJF-GZMMTYOYSA-N 2 2 193.294 1.617 10 0 ADAELP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)F)n1C 657475162 409477981 /nfs/dbraw/zinc/47/79/81/409477981.db2.gz KRYZZVFDEAYEEJ-MRVPVSSYSA-N 2 2 199.273 1.566 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CC1CC1 657522547 409479597 /nfs/dbraw/zinc/47/95/97/409479597.db2.gz BZUVMCXBPHOOQS-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CC1CC1 657522547 409479602 /nfs/dbraw/zinc/47/96/02/409479602.db2.gz BZUVMCXBPHOOQS-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@H]2CC23CC3)n1C 657496707 409479839 /nfs/dbraw/zinc/47/98/39/409479839.db2.gz WLPIVTGFFMHBFW-JTQLQIEISA-N 2 2 191.278 1.371 10 0 ADAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC23CC3)n1C 657496714 409479864 /nfs/dbraw/zinc/47/98/64/409479864.db2.gz WLPIVTGFFMHBFW-SNVBAGLBSA-N 2 2 191.278 1.371 10 0 ADAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CC1CC1 657522539 409480022 /nfs/dbraw/zinc/48/00/22/409480022.db2.gz BZUVMCXBPHOOQS-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CC1CC1 657522539 409480025 /nfs/dbraw/zinc/48/00/25/409480025.db2.gz BZUVMCXBPHOOQS-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@H](C)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 657585822 409482523 /nfs/dbraw/zinc/48/25/23/409482523.db2.gz GBGBFDCTGUOSPW-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 657585822 409482526 /nfs/dbraw/zinc/48/25/26/409482526.db2.gz GBGBFDCTGUOSPW-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 657585824 409482720 /nfs/dbraw/zinc/48/27/20/409482720.db2.gz GBGBFDCTGUOSPW-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 657585824 409482724 /nfs/dbraw/zinc/48/27/24/409482724.db2.gz GBGBFDCTGUOSPW-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C 657585826 409482966 /nfs/dbraw/zinc/48/29/66/409482966.db2.gz GBGBFDCTGUOSPW-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 657585826 409482968 /nfs/dbraw/zinc/48/29/68/409482968.db2.gz GBGBFDCTGUOSPW-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 657585825 409483085 /nfs/dbraw/zinc/48/30/85/409483085.db2.gz GBGBFDCTGUOSPW-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H](C)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 657585825 409483087 /nfs/dbraw/zinc/48/30/87/409483087.db2.gz GBGBFDCTGUOSPW-SRVKXCTJSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CCCC1 657749685 409491318 /nfs/dbraw/zinc/49/13/18/409491318.db2.gz IZERBBMNZZEXMQ-CMPLNLGQSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CCCC1 657749685 409491321 /nfs/dbraw/zinc/49/13/21/409491321.db2.gz IZERBBMNZZEXMQ-CMPLNLGQSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1=CCCC1 657749688 409491375 /nfs/dbraw/zinc/49/13/75/409491375.db2.gz IZERBBMNZZEXMQ-ZYHUDNBSSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1=CCCC1 657749688 409491378 /nfs/dbraw/zinc/49/13/78/409491378.db2.gz IZERBBMNZZEXMQ-ZYHUDNBSSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CCCC1 657749687 409491572 /nfs/dbraw/zinc/49/15/72/409491572.db2.gz IZERBBMNZZEXMQ-PWSUYJOCSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CCCC1 657749687 409491573 /nfs/dbraw/zinc/49/15/73/409491573.db2.gz IZERBBMNZZEXMQ-PWSUYJOCSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1=CCCC1 657749686 409491582 /nfs/dbraw/zinc/49/15/82/409491582.db2.gz IZERBBMNZZEXMQ-JQWIXIFHSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1=CCCC1 657749686 409491583 /nfs/dbraw/zinc/49/15/83/409491583.db2.gz IZERBBMNZZEXMQ-JQWIXIFHSA-N 2 2 194.322 1.636 10 0 ADAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)C 132847606 409492525 /nfs/dbraw/zinc/49/25/25/409492525.db2.gz UOJSPWWWXYGBNU-MRVPVSSYSA-N 2 2 181.283 1.934 10 0 ADAELP C[C@H](C[NH2+][C@H]1CCCC12CC2)[NH+](C)C 657869853 409500664 /nfs/dbraw/zinc/50/06/64/409500664.db2.gz ASELCBXBXMUUSL-MNOVXSKESA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH2+][C@H]1CCCC12CC2)[NH+](C)C 657869854 409500862 /nfs/dbraw/zinc/50/08/62/409500862.db2.gz ASELCBXBXMUUSL-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[NH+](C)C 657869855 409500952 /nfs/dbraw/zinc/50/09/52/409500952.db2.gz ASELCBXBXMUUSL-WDEREUQCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+]1C[C@H](C)C[C@@H]1C 158446977 409501134 /nfs/dbraw/zinc/50/11/34/409501134.db2.gz CHXVJODOLZZMDU-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+]1C[C@H](C)C[C@@H]1C 158446977 409501137 /nfs/dbraw/zinc/50/11/37/409501137.db2.gz CHXVJODOLZZMDU-VPOLOUISSA-N 2 2 182.311 1.325 10 0 ADAELP C[C@H](C[NH2+][C@@H]1CCCC12CC2)[NH+](C)C 657869852 409501250 /nfs/dbraw/zinc/50/12/50/409501250.db2.gz ASELCBXBXMUUSL-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH+](C)CC[NH2+][C@H]1CCCC12CC2 658012729 409503575 /nfs/dbraw/zinc/50/35/75/409503575.db2.gz DIVHPACGVWZJHO-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[NH+](C)CC[NH2+][C@@H]1CCCC12CC2 658012730 409503699 /nfs/dbraw/zinc/50/36/99/409503699.db2.gz DIVHPACGVWZJHO-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C 658058045 409505887 /nfs/dbraw/zinc/50/58/87/409505887.db2.gz RMYKIESEUUMFBU-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C 658058045 409505892 /nfs/dbraw/zinc/50/58/92/409505892.db2.gz RMYKIESEUUMFBU-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C 658058046 409506240 /nfs/dbraw/zinc/50/62/40/409506240.db2.gz RMYKIESEUUMFBU-SNVBAGLBSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C 658058046 409506246 /nfs/dbraw/zinc/50/62/46/409506246.db2.gz RMYKIESEUUMFBU-SNVBAGLBSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@]1(C)CC1(C)C 658308008 409513360 /nfs/dbraw/zinc/51/33/60/409513360.db2.gz OENBNDGXMNQYBJ-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@]1(C)CC1(C)C 658308008 409513362 /nfs/dbraw/zinc/51/33/62/409513362.db2.gz OENBNDGXMNQYBJ-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@]1(C)CC1(C)C 658308009 409513447 /nfs/dbraw/zinc/51/34/47/409513447.db2.gz OENBNDGXMNQYBJ-FOGDFJRCSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@]1(C)CC1(C)C 658308009 409513448 /nfs/dbraw/zinc/51/34/48/409513448.db2.gz OENBNDGXMNQYBJ-FOGDFJRCSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@]1(C)CC1(C)C 658308011 409513662 /nfs/dbraw/zinc/51/36/62/409513662.db2.gz OENBNDGXMNQYBJ-SCVCMEIPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@]1(C)CC1(C)C 658308011 409513665 /nfs/dbraw/zinc/51/36/65/409513665.db2.gz OENBNDGXMNQYBJ-SCVCMEIPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@]1(C)CC1(C)C 658308010 409513749 /nfs/dbraw/zinc/51/37/49/409513749.db2.gz OENBNDGXMNQYBJ-JFGNBEQYSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@]1(C)CC1(C)C 658308010 409513753 /nfs/dbraw/zinc/51/37/53/409513753.db2.gz OENBNDGXMNQYBJ-JFGNBEQYSA-N 2 2 196.338 1.715 10 0 ADAELP Cc1cc(N2CCCC[NH2+]2)cc[nH+]1 306651314 409580008 /nfs/dbraw/zinc/58/00/08/409580008.db2.gz HYQLWUKQSOSYTG-UHFFFAOYSA-N 2 2 177.251 1.495 10 0 ADAELP CCC[C@H](C)[N@@H+]1CCn2c[nH+]cc2C1 660583015 409607524 /nfs/dbraw/zinc/60/75/24/409607524.db2.gz DFVVHACONBNJFL-JTQLQIEISA-N 2 2 193.294 1.887 10 0 ADAELP CCC[C@H](C)[N@H+]1CCn2c[nH+]cc2C1 660583015 409607530 /nfs/dbraw/zinc/60/75/30/409607530.db2.gz DFVVHACONBNJFL-JTQLQIEISA-N 2 2 193.294 1.887 10 0 ADAELP FCCCC[N@@H+]1CCn2c[nH+]cc2C1 660582921 409610349 /nfs/dbraw/zinc/61/03/49/409610349.db2.gz BIDZAMKIFVVFKU-UHFFFAOYSA-N 2 2 197.257 1.448 10 0 ADAELP FCCCC[N@H+]1CCn2c[nH+]cc2C1 660582921 409610356 /nfs/dbraw/zinc/61/03/56/409610356.db2.gz BIDZAMKIFVVFKU-UHFFFAOYSA-N 2 2 197.257 1.448 10 0 ADAELP CCC[C@@H](C)[N@@H+]1CCn2c[nH+]cc2C1 660583016 409610408 /nfs/dbraw/zinc/61/04/08/409610408.db2.gz DFVVHACONBNJFL-SNVBAGLBSA-N 2 2 193.294 1.887 10 0 ADAELP CCC[C@@H](C)[N@H+]1CCn2c[nH+]cc2C1 660583016 409610414 /nfs/dbraw/zinc/61/04/14/409610414.db2.gz DFVVHACONBNJFL-SNVBAGLBSA-N 2 2 193.294 1.887 10 0 ADAELP CCc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc[nH+]1 307076371 409612650 /nfs/dbraw/zinc/61/26/50/409612650.db2.gz LLIKOCRHTPWWOR-SFYZADRCSA-N 2 2 194.282 1.187 10 0 ADAELP CCc1cc(N[C@H](C)[C@H](C)[NH3+])nc[nH+]1 307076370 409612692 /nfs/dbraw/zinc/61/26/92/409612692.db2.gz LLIKOCRHTPWWOR-JGVFFNPUSA-N 2 2 194.282 1.187 10 0 ADAELP CCc1cc(N[C@@H](C)[C@H](C)[NH3+])nc[nH+]1 307076372 409613346 /nfs/dbraw/zinc/61/33/46/409613346.db2.gz LLIKOCRHTPWWOR-YUMQZZPRSA-N 2 2 194.282 1.187 10 0 ADAELP CCc1cc(N[C@H](C)[C@@H](C)[NH3+])nc[nH+]1 307076369 409613766 /nfs/dbraw/zinc/61/37/66/409613766.db2.gz LLIKOCRHTPWWOR-HTQZYQBOSA-N 2 2 194.282 1.187 10 0 ADAELP FC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 307398482 409640030 /nfs/dbraw/zinc/64/00/30/409640030.db2.gz TZUXEZSZDBVQQP-VHSXEESVSA-N 2 2 198.285 1.172 10 0 ADAELP FC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 307398482 409640037 /nfs/dbraw/zinc/64/00/37/409640037.db2.gz TZUXEZSZDBVQQP-VHSXEESVSA-N 2 2 198.285 1.172 10 0 ADAELP FC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 307398483 409640110 /nfs/dbraw/zinc/64/01/10/409640110.db2.gz TZUXEZSZDBVQQP-ZJUUUORDSA-N 2 2 198.285 1.172 10 0 ADAELP FC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 307398483 409640113 /nfs/dbraw/zinc/64/01/13/409640113.db2.gz TZUXEZSZDBVQQP-ZJUUUORDSA-N 2 2 198.285 1.172 10 0 ADAELP FC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 307398481 409642067 /nfs/dbraw/zinc/64/20/67/409642067.db2.gz TZUXEZSZDBVQQP-UWVGGRQHSA-N 2 2 198.285 1.172 10 0 ADAELP FC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 307398481 409642075 /nfs/dbraw/zinc/64/20/75/409642075.db2.gz TZUXEZSZDBVQQP-UWVGGRQHSA-N 2 2 198.285 1.172 10 0 ADAELP FC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 307398480 409642366 /nfs/dbraw/zinc/64/23/66/409642366.db2.gz TZUXEZSZDBVQQP-NXEZZACHSA-N 2 2 198.285 1.172 10 0 ADAELP FC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 307398480 409642372 /nfs/dbraw/zinc/64/23/72/409642372.db2.gz TZUXEZSZDBVQQP-NXEZZACHSA-N 2 2 198.285 1.172 10 0 ADAELP Cc1[nH+]cn(C[C@@H]2CCC[N@H+]2C)c1C 307435952 409644421 /nfs/dbraw/zinc/64/44/21/409644421.db2.gz OQMYXKWTXCDSQK-NSHDSACASA-N 2 2 193.294 1.594 10 0 ADAELP Cc1[nH+]cn(C[C@@H]2CCC[N@@H+]2C)c1C 307435952 409644429 /nfs/dbraw/zinc/64/44/29/409644429.db2.gz OQMYXKWTXCDSQK-NSHDSACASA-N 2 2 193.294 1.594 10 0 ADAELP [NH3+][C@H]1CC[N@H+](CCCCCF)C1 308001130 409676128 /nfs/dbraw/zinc/67/61/28/409676128.db2.gz HKLLYAUSWOMZRT-VIFPVBQESA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+][C@H]1CC[N@@H+](CCCCCF)C1 308001130 409676137 /nfs/dbraw/zinc/67/61/37/409676137.db2.gz HKLLYAUSWOMZRT-VIFPVBQESA-N 2 2 174.263 1.159 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1C 308055479 409679769 /nfs/dbraw/zinc/67/97/69/409679769.db2.gz UIXLKMOALQOIEC-BBBLOLIVSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]CC[NH+](C)C 308055485 409680611 /nfs/dbraw/zinc/68/06/11/409680611.db2.gz UIXLKMOALQOIEC-KXUCPTDWSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CC[NH+](C)C)C[C@H]1C 308055496 409681310 /nfs/dbraw/zinc/68/13/10/409681310.db2.gz UIXLKMOALQOIEC-UTLUCORTSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1C 308055490 409681422 /nfs/dbraw/zinc/68/14/22/409681422.db2.gz UIXLKMOALQOIEC-OPRDCNLKSA-N 2 2 170.300 1.182 10 0 ADAELP C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccco1 308125818 409683383 /nfs/dbraw/zinc/68/33/83/409683383.db2.gz AIHHMPLTUWMRCR-VGMNWLOBSA-N 2 2 182.267 1.666 10 0 ADAELP C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccco1 308125809 409684266 /nfs/dbraw/zinc/68/42/66/409684266.db2.gz AIHHMPLTUWMRCR-HLTSFMKQSA-N 2 2 182.267 1.666 10 0 ADAELP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccco1 308125828 409684774 /nfs/dbraw/zinc/68/47/74/409684774.db2.gz AIHHMPLTUWMRCR-YIZRAAEISA-N 2 2 182.267 1.666 10 0 ADAELP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccco1 308125801 409685203 /nfs/dbraw/zinc/68/52/03/409685203.db2.gz AIHHMPLTUWMRCR-CIUDSAMLSA-N 2 2 182.267 1.666 10 0 ADAELP C1C[NH2+]CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662240967 409700876 /nfs/dbraw/zinc/70/08/76/409700876.db2.gz OESPUJJANMRWLE-ZSBIGDGJSA-N 2 2 194.322 1.328 10 0 ADAELP C1C[NH2+]CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662240967 409700885 /nfs/dbraw/zinc/70/08/85/409700885.db2.gz OESPUJJANMRWLE-ZSBIGDGJSA-N 2 2 194.322 1.328 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C[C@H]1C 308284627 409707062 /nfs/dbraw/zinc/70/70/62/409707062.db2.gz YKKIZVJFGDPLFT-RCWTZXSCSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[NH+](C)C 308284628 409707242 /nfs/dbraw/zinc/70/72/42/409707242.db2.gz YKKIZVJFGDPLFT-YTWAJWBKSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C[C@H]1C 308284629 409707303 /nfs/dbraw/zinc/70/73/03/409707303.db2.gz YKKIZVJFGDPLFT-ZNSHCXBVSA-N 2 2 184.327 1.571 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@@H]1C 308284626 409708516 /nfs/dbraw/zinc/70/85/16/409708516.db2.gz YKKIZVJFGDPLFT-DBIOUOCHSA-N 2 2 184.327 1.571 10 0 ADAELP C[N@H+](C[C@H]1C[C@@H]2C[C@@H]2C1)CC(C)(C)[NH3+] 662293273 409709597 /nfs/dbraw/zinc/70/95/97/409709597.db2.gz FPIYOVXAPKWXRO-JGPRNRPPSA-N 2 2 196.338 1.702 10 0 ADAELP C[N@@H+](C[C@H]1C[C@@H]2C[C@@H]2C1)CC(C)(C)[NH3+] 662293273 409709605 /nfs/dbraw/zinc/70/96/05/409709605.db2.gz FPIYOVXAPKWXRO-JGPRNRPPSA-N 2 2 196.338 1.702 10 0 ADAELP C[NH2+]CCC[N@H+](C)Cc1conc1C 662282468 409711942 /nfs/dbraw/zinc/71/19/42/409711942.db2.gz VMWBCJBGQPQDHH-UHFFFAOYSA-N 2 2 197.282 1.024 10 0 ADAELP C[NH2+]CCC[N@@H+](C)Cc1conc1C 662282468 409711949 /nfs/dbraw/zinc/71/19/49/409711949.db2.gz VMWBCJBGQPQDHH-UHFFFAOYSA-N 2 2 197.282 1.024 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@H](CCF)C1 662311000 409714509 /nfs/dbraw/zinc/71/45/09/409714509.db2.gz PJILYORDXNFZEM-SECBINFHSA-N 2 2 174.263 1.017 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@H](CCF)C1 662311000 409714520 /nfs/dbraw/zinc/71/45/20/409714520.db2.gz PJILYORDXNFZEM-SECBINFHSA-N 2 2 174.263 1.017 10 0 ADAELP [NH3+]CC[N@@H+]1CCC[C@@H](CCF)C1 662311001 409718120 /nfs/dbraw/zinc/71/81/20/409718120.db2.gz PJILYORDXNFZEM-VIFPVBQESA-N 2 2 174.263 1.017 10 0 ADAELP [NH3+]CC[N@H+]1CCC[C@@H](CCF)C1 662311001 409718125 /nfs/dbraw/zinc/71/81/25/409718125.db2.gz PJILYORDXNFZEM-VIFPVBQESA-N 2 2 174.263 1.017 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CCn2cc[nH+]c2)C[C@H]1C 308492692 409726703 /nfs/dbraw/zinc/72/67/03/409726703.db2.gz ALMSHPJKZKKFJX-VWYCJHECSA-N 2 2 193.294 1.517 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1C 308492689 409726746 /nfs/dbraw/zinc/72/67/46/409726746.db2.gz ALMSHPJKZKKFJX-GMTAPVOTSA-N 2 2 193.294 1.517 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]CCn1cc[nH+]c1 308492691 409726846 /nfs/dbraw/zinc/72/68/46/409726846.db2.gz ALMSHPJKZKKFJX-OUAUKWLOSA-N 2 2 193.294 1.517 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1C 308492690 409727127 /nfs/dbraw/zinc/72/71/27/409727127.db2.gz ALMSHPJKZKKFJX-MXWKQRLJSA-N 2 2 193.294 1.517 10 0 ADAELP CC12CC(C[N@@H+]1CCn1cc[nH+]c1)C2 662385253 409729164 /nfs/dbraw/zinc/72/91/64/409729164.db2.gz PUKWWPLITRRZDR-UHFFFAOYSA-N 2 2 191.278 1.367 10 0 ADAELP CC12CC(C[N@H+]1CCn1cc[nH+]c1)C2 662385253 409729167 /nfs/dbraw/zinc/72/91/67/409729167.db2.gz PUKWWPLITRRZDR-UHFFFAOYSA-N 2 2 191.278 1.367 10 0 ADAELP CCc1cc(NC[C@H](C)[NH2+]C)nc[nH+]1 308511075 409729976 /nfs/dbraw/zinc/72/99/76/409729976.db2.gz CAHZBWVFYKEEBC-QMMMGPOBSA-N 2 2 194.282 1.059 10 0 ADAELP CCc1cc(NC[C@@H](C)[NH2+]C)nc[nH+]1 308511074 409730044 /nfs/dbraw/zinc/73/00/44/409730044.db2.gz CAHZBWVFYKEEBC-MRVPVSSYSA-N 2 2 194.282 1.059 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C 308580850 409735640 /nfs/dbraw/zinc/73/56/40/409735640.db2.gz PBMVXSDHFPSZLO-MXWKQRLJSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@@H+]1CC1(C)CCC1 308568670 409736180 /nfs/dbraw/zinc/73/61/80/409736180.db2.gz JDGWJXHXGOFWEM-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@H+]1CC1(C)CCC1 308568670 409736184 /nfs/dbraw/zinc/73/61/84/409736184.db2.gz JDGWJXHXGOFWEM-LLVKDONJSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1(C)CCC1 308568672 409736733 /nfs/dbraw/zinc/73/67/33/409736733.db2.gz JDGWJXHXGOFWEM-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@H+]1CC1(C)CCC1 308568672 409736737 /nfs/dbraw/zinc/73/67/37/409736737.db2.gz JDGWJXHXGOFWEM-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C[C@H]1C 308580852 409737444 /nfs/dbraw/zinc/73/74/44/409737444.db2.gz PBMVXSDHFPSZLO-VWYCJHECSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]CC(C)(C)[NH+](C)C 308580851 409737873 /nfs/dbraw/zinc/73/78/73/409737873.db2.gz PBMVXSDHFPSZLO-OUAUKWLOSA-N 2 2 198.354 1.961 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 308596805 409740022 /nfs/dbraw/zinc/74/00/22/409740022.db2.gz ZCOQLGMDJKQJMG-GRYCIOLGSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 308596806 409740480 /nfs/dbraw/zinc/74/04/80/409740480.db2.gz ZCOQLGMDJKQJMG-IJLUTSLNSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C 308596807 409740748 /nfs/dbraw/zinc/74/07/48/409740748.db2.gz ZCOQLGMDJKQJMG-QJPTWQEYSA-N 2 2 198.354 1.962 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C 308596809 409741572 /nfs/dbraw/zinc/74/15/72/409741572.db2.gz ZCOQLGMDJKQJMG-SDDRHHMPSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1CC1(C)C 308646156 409742556 /nfs/dbraw/zinc/74/25/56/409742556.db2.gz HRNWYXWWJBJMRD-DCAQKATOSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H]1CC1(C)C 308646157 409743858 /nfs/dbraw/zinc/74/38/58/409743858.db2.gz HRNWYXWWJBJMRD-GARJFASQSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)C[C@H]([NH3+])c1noc([C@H](C)[NH3+])n1 309116723 409770003 /nfs/dbraw/zinc/77/00/03/409770003.db2.gz LXFKCBXGYXOFSO-BQBZGAKWSA-N 2 2 198.270 1.135 10 0 ADAELP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)[NH3+])n1 309116724 409771256 /nfs/dbraw/zinc/77/12/56/409771256.db2.gz LXFKCBXGYXOFSO-NKWVEPMBSA-N 2 2 198.270 1.135 10 0 ADAELP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)[NH3+])n1 309116726 409771381 /nfs/dbraw/zinc/77/13/81/409771381.db2.gz LXFKCBXGYXOFSO-RQJHMYQMSA-N 2 2 198.270 1.135 10 0 ADAELP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)[NH3+])n1 309116725 409771709 /nfs/dbraw/zinc/77/17/09/409771709.db2.gz LXFKCBXGYXOFSO-RNFRBKRXSA-N 2 2 198.270 1.135 10 0 ADAELP C[N@H+](Cc1cocn1)CC(C)(C)C[NH3+] 309117385 409772085 /nfs/dbraw/zinc/77/20/85/409772085.db2.gz MCVDZBHWJWUUTM-UHFFFAOYSA-N 2 2 197.282 1.091 10 0 ADAELP C[N@@H+](Cc1cocn1)CC(C)(C)C[NH3+] 309117385 409772092 /nfs/dbraw/zinc/77/20/92/409772092.db2.gz MCVDZBHWJWUUTM-UHFFFAOYSA-N 2 2 197.282 1.091 10 0 ADAELP CC(C)[C@H]([NH3+])CCNc1cccc[nH+]1 663276411 409774418 /nfs/dbraw/zinc/77/44/18/409774418.db2.gz WRMZGLPVASWKQU-SNVBAGLBSA-N 2 2 193.294 1.867 10 0 ADAELP CC(C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 313248258 409777574 /nfs/dbraw/zinc/77/75/74/409777574.db2.gz FNCRSONMCPLXJH-SNVBAGLBSA-N 2 2 195.310 1.597 10 0 ADAELP CCC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 313253960 409778119 /nfs/dbraw/zinc/77/81/19/409778119.db2.gz RNVNFXGMQZNMFA-SNVBAGLBSA-N 2 2 195.310 1.741 10 0 ADAELP Cn1c[nH+]c(CC[NH2+]C2CCCC2)c1 313254327 409779105 /nfs/dbraw/zinc/77/91/05/409779105.db2.gz SAVFZYQDZMXHJG-UHFFFAOYSA-N 2 2 193.294 1.495 10 0 ADAELP CCC(CC)[NH2+]CCc1cn(C)c[nH+]1 313246864 409779314 /nfs/dbraw/zinc/77/93/14/409779314.db2.gz ATWQITNJXJNEME-UHFFFAOYSA-N 2 2 195.310 1.741 10 0 ADAELP CC[C@@H](C)C[NH2+]CCc1cn(C)c[nH+]1 313247237 409779419 /nfs/dbraw/zinc/77/94/19/409779419.db2.gz CGRSDOISAKFYBA-SNVBAGLBSA-N 2 2 195.310 1.598 10 0 ADAELP Cn1c[nH+]c(CC[NH2+]CC(C)(C)C)c1 313254425 409779449 /nfs/dbraw/zinc/77/94/49/409779449.db2.gz SPIUKQWTSASKNG-UHFFFAOYSA-N 2 2 195.310 1.598 10 0 ADAELP CC[C@H](C)C[NH2+]CCc1cn(C)c[nH+]1 313247236 409779462 /nfs/dbraw/zinc/77/94/62/409779462.db2.gz CGRSDOISAKFYBA-JTQLQIEISA-N 2 2 195.310 1.598 10 0 ADAELP CC1CC([NH2+]CCc2cn(C)c[nH+]2)C1 313246888 409779560 /nfs/dbraw/zinc/77/95/60/409779560.db2.gz AWEMAVRHTILJAX-UHFFFAOYSA-N 2 2 193.294 1.351 10 0 ADAELP CCC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 313253959 409779608 /nfs/dbraw/zinc/77/96/08/409779608.db2.gz RNVNFXGMQZNMFA-JTQLQIEISA-N 2 2 195.310 1.741 10 0 ADAELP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cocn1 663502772 409786757 /nfs/dbraw/zinc/78/67/57/409786757.db2.gz LOTOCXUBJDCVSZ-SNVBAGLBSA-N 2 2 197.282 1.138 10 0 ADAELP CN(CC1C[NH+](C)C1)c1cccc[nH+]1 664332688 409825763 /nfs/dbraw/zinc/82/57/63/409825763.db2.gz FWPJVVSGCZMTFJ-UHFFFAOYSA-N 2 2 191.278 1.079 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCF 379384184 409837126 /nfs/dbraw/zinc/83/71/26/409837126.db2.gz MZKVNAZCNILRSP-UWVGGRQHSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCF 379384184 409837132 /nfs/dbraw/zinc/83/71/32/409837132.db2.gz MZKVNAZCNILRSP-UWVGGRQHSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCF 379384186 409837344 /nfs/dbraw/zinc/83/73/44/409837344.db2.gz MZKVNAZCNILRSP-ZJUUUORDSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCF 379384186 409837347 /nfs/dbraw/zinc/83/73/47/409837347.db2.gz MZKVNAZCNILRSP-ZJUUUORDSA-N 2 2 188.290 1.276 10 0 ADAELP CC[C@H]1CC[N@@H+]1CCn1cc[nH+]c1 379381247 409837435 /nfs/dbraw/zinc/83/74/35/409837435.db2.gz GNDOIBOYSTZCQZ-JTQLQIEISA-N 2 2 179.267 1.367 10 0 ADAELP CC[C@H]1CC[N@H+]1CCn1cc[nH+]c1 379381247 409837441 /nfs/dbraw/zinc/83/74/41/409837441.db2.gz GNDOIBOYSTZCQZ-JTQLQIEISA-N 2 2 179.267 1.367 10 0 ADAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCF 379384183 409837684 /nfs/dbraw/zinc/83/76/84/409837684.db2.gz MZKVNAZCNILRSP-NXEZZACHSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCF 379384183 409837695 /nfs/dbraw/zinc/83/76/95/409837695.db2.gz MZKVNAZCNILRSP-NXEZZACHSA-N 2 2 188.290 1.276 10 0 ADAELP CC[C@@H]1CC[N@@H+]1CCn1cc[nH+]c1 379381248 409837743 /nfs/dbraw/zinc/83/77/43/409837743.db2.gz GNDOIBOYSTZCQZ-SNVBAGLBSA-N 2 2 179.267 1.367 10 0 ADAELP CC[C@@H]1CC[N@H+]1CCn1cc[nH+]c1 379381248 409837750 /nfs/dbraw/zinc/83/77/50/409837750.db2.gz GNDOIBOYSTZCQZ-SNVBAGLBSA-N 2 2 179.267 1.367 10 0 ADAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCF 379384185 409838365 /nfs/dbraw/zinc/83/83/65/409838365.db2.gz MZKVNAZCNILRSP-VHSXEESVSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCF 379384185 409838371 /nfs/dbraw/zinc/83/83/71/409838371.db2.gz MZKVNAZCNILRSP-VHSXEESVSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CC[NH+]2CCCC2)C[C@H]1C 379636755 409859569 /nfs/dbraw/zinc/85/95/69/409859569.db2.gz RNFUFFHIUIHNME-WOPDTQHZSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 379638403 409859657 /nfs/dbraw/zinc/85/96/57/409859657.db2.gz SKABSFMGACOBDS-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 379638403 409859666 /nfs/dbraw/zinc/85/96/66/409859666.db2.gz SKABSFMGACOBDS-GRYCIOLGSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@H]1[C@H](C)C[C@H]1[NH2+]CC[NH+]1CCCC1 379636752 409859681 /nfs/dbraw/zinc/85/96/81/409859681.db2.gz RNFUFFHIUIHNME-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 379638405 409859814 /nfs/dbraw/zinc/85/98/14/409859814.db2.gz SKABSFMGACOBDS-IJLUTSLNSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C 379638405 409859819 /nfs/dbraw/zinc/85/98/19/409859819.db2.gz SKABSFMGACOBDS-IJLUTSLNSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@@H](C)[C@@H]1C 379638415 409859877 /nfs/dbraw/zinc/85/98/77/409859877.db2.gz SKABSFMGACOBDS-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@@H](C)[C@@H]1C 379638415 409859881 /nfs/dbraw/zinc/85/98/81/409859881.db2.gz SKABSFMGACOBDS-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)[C@@H]1C 379636754 409860020 /nfs/dbraw/zinc/86/00/20/409860020.db2.gz RNFUFFHIUIHNME-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)[C@@H]1C 379636753 409860222 /nfs/dbraw/zinc/86/02/22/409860222.db2.gz RNFUFFHIUIHNME-IJLUTSLNSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@@H](C)[C@H]1C 379638410 409860694 /nfs/dbraw/zinc/86/06/94/409860694.db2.gz SKABSFMGACOBDS-UTUOFQBUSA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@@H](C)[C@H]1C 379638410 409860697 /nfs/dbraw/zinc/86/06/97/409860697.db2.gz SKABSFMGACOBDS-UTUOFQBUSA-N 2 2 198.354 1.961 10 0 ADAELP C1=C(C[NH2+][C@@H]2CC[NH2+]C2)CCC1 665274319 409863684 /nfs/dbraw/zinc/86/36/84/409863684.db2.gz NQISXBDYKNTMFA-SNVBAGLBSA-N 2 2 166.268 1.048 10 0 ADAELP C1=C(C[NH2+][C@H]2CC[NH2+]C2)CCC1 665274318 409863994 /nfs/dbraw/zinc/86/39/94/409863994.db2.gz NQISXBDYKNTMFA-JTQLQIEISA-N 2 2 166.268 1.048 10 0 ADAELP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccoc1 665297695 409872051 /nfs/dbraw/zinc/87/20/51/409872051.db2.gz JWMKMBWVEKCBIZ-ZJUUUORDSA-N 2 2 196.294 1.408 10 0 ADAELP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccoc1 665297692 409872092 /nfs/dbraw/zinc/87/20/92/409872092.db2.gz JWMKMBWVEKCBIZ-NXEZZACHSA-N 2 2 196.294 1.408 10 0 ADAELP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccoc1 665297694 409872433 /nfs/dbraw/zinc/87/24/33/409872433.db2.gz JWMKMBWVEKCBIZ-VHSXEESVSA-N 2 2 196.294 1.408 10 0 ADAELP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccoc1 665297693 409874270 /nfs/dbraw/zinc/87/42/70/409874270.db2.gz JWMKMBWVEKCBIZ-UWVGGRQHSA-N 2 2 196.294 1.408 10 0 ADAELP Cc1nocc1C[NH2+]CCC[NH+](C)C 382182682 409897972 /nfs/dbraw/zinc/89/79/72/409897972.db2.gz ZVHDOCLHLUAPMB-UHFFFAOYSA-N 2 2 197.282 1.024 10 0 ADAELP C/C=C\C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386049272 409932957 /nfs/dbraw/zinc/93/29/57/409932957.db2.gz VBRLHKIHENOPOS-ANDSXOESSA-N 2 2 182.311 1.683 10 0 ADAELP C/C=C/C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386049275 409933684 /nfs/dbraw/zinc/93/36/84/409933684.db2.gz VBRLHKIHENOPOS-YIZUVKHSSA-N 2 2 182.311 1.683 10 0 ADAELP C/C=C/C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386049274 409935441 /nfs/dbraw/zinc/93/54/41/409935441.db2.gz VBRLHKIHENOPOS-YHROSDCASA-N 2 2 182.311 1.683 10 0 ADAELP C/C=C\C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386049273 409935872 /nfs/dbraw/zinc/93/58/72/409935872.db2.gz VBRLHKIHENOPOS-CJOPTALJSA-N 2 2 182.311 1.683 10 0 ADAELP [NH3+][C@@H]1CC[N@H+](CCCCCF)C1 388395249 409954846 /nfs/dbraw/zinc/95/48/46/409954846.db2.gz HKLLYAUSWOMZRT-SECBINFHSA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+](CCCCCF)C1 388395249 409954852 /nfs/dbraw/zinc/95/48/52/409954852.db2.gz HKLLYAUSWOMZRT-SECBINFHSA-N 2 2 174.263 1.159 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]CC1(C)CC1 388752699 409962047 /nfs/dbraw/zinc/96/20/47/409962047.db2.gz CDZNYMHGZMQKSM-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]CC1(C)CC1 388752699 409962054 /nfs/dbraw/zinc/96/20/54/409962054.db2.gz CDZNYMHGZMQKSM-JTQLQIEISA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H](C[NH2+]CC1(C)CCC1)[NH+](C)C 388776366 409962365 /nfs/dbraw/zinc/96/23/65/409962365.db2.gz IGQBLZKURQMTSR-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1(F)CC1 389241732 409968915 /nfs/dbraw/zinc/96/89/15/409968915.db2.gz YLWYVKPMKOPJAM-VIFPVBQESA-N 2 2 186.274 1.172 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@H+]1CC1(F)CC1 389241732 409968921 /nfs/dbraw/zinc/96/89/21/409968921.db2.gz YLWYVKPMKOPJAM-VIFPVBQESA-N 2 2 186.274 1.172 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@@H+]1CC1(F)CC1 389241730 409969067 /nfs/dbraw/zinc/96/90/67/409969067.db2.gz YLWYVKPMKOPJAM-SECBINFHSA-N 2 2 186.274 1.172 10 0 ADAELP C[NH2+]C[C@H]1CCC[N@H+]1CC1(F)CC1 389241730 409969070 /nfs/dbraw/zinc/96/90/70/409969070.db2.gz YLWYVKPMKOPJAM-SECBINFHSA-N 2 2 186.274 1.172 10 0 ADAELP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])o1 389342752 409970323 /nfs/dbraw/zinc/97/03/23/409970323.db2.gz YVVWXKUZQDRMFS-BBBLOLIVSA-N 2 2 196.294 1.974 10 0 ADAELP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])o1 389342749 409972334 /nfs/dbraw/zinc/97/23/34/409972334.db2.gz YVVWXKUZQDRMFS-AEJSXWLSSA-N 2 2 196.294 1.974 10 0 ADAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])o1 389342753 409972475 /nfs/dbraw/zinc/97/24/75/409972475.db2.gz YVVWXKUZQDRMFS-GUBZILKMSA-N 2 2 196.294 1.974 10 0 ADAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])o1 389342754 409972486 /nfs/dbraw/zinc/97/24/86/409972486.db2.gz YVVWXKUZQDRMFS-UTLUCORTSA-N 2 2 196.294 1.974 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C 393570545 409986635 /nfs/dbraw/zinc/98/66/35/409986635.db2.gz SGMQNCWBPCIHSO-UTLUCORTSA-N 2 2 188.290 1.274 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C 393570545 409986641 /nfs/dbraw/zinc/98/66/41/409986641.db2.gz SGMQNCWBPCIHSO-UTLUCORTSA-N 2 2 188.290 1.274 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C 393570542 409987404 /nfs/dbraw/zinc/98/74/04/409987404.db2.gz SGMQNCWBPCIHSO-LPEHRKFASA-N 2 2 188.290 1.274 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C 393570542 409987410 /nfs/dbraw/zinc/98/74/10/409987410.db2.gz SGMQNCWBPCIHSO-LPEHRKFASA-N 2 2 188.290 1.274 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C 393570536 409987977 /nfs/dbraw/zinc/98/79/77/409987977.db2.gz SGMQNCWBPCIHSO-GUBZILKMSA-N 2 2 188.290 1.274 10 0 ADAELP C[C@H](F)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C 393570536 409987981 /nfs/dbraw/zinc/98/79/81/409987981.db2.gz SGMQNCWBPCIHSO-GUBZILKMSA-N 2 2 188.290 1.274 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 393570540 409988067 /nfs/dbraw/zinc/98/80/67/409988067.db2.gz SGMQNCWBPCIHSO-KXUCPTDWSA-N 2 2 188.290 1.274 10 0 ADAELP C[C@H](F)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 393570540 409988072 /nfs/dbraw/zinc/98/80/72/409988072.db2.gz SGMQNCWBPCIHSO-KXUCPTDWSA-N 2 2 188.290 1.274 10 0 ADAELP CC(C)C1([NH2+]CCn2cc[nH+]c2)CC1 393953584 409997108 /nfs/dbraw/zinc/99/71/08/409997108.db2.gz SBQNFYVRGJGKSS-UHFFFAOYSA-N 2 2 193.294 1.661 10 0 ADAELP [NH3+]CC1(CCNc2cccc[nH+]2)CC1 395884271 410008342 /nfs/dbraw/zinc/00/83/42/410008342.db2.gz WMUVKPCAOOFQPZ-UHFFFAOYSA-N 2 2 191.278 1.623 10 0 ADAELP Nc1[nH+]ccn1-c1cc[nH+]cc1Cl 575449755 410054179 /nfs/dbraw/zinc/05/41/79/410054179.db2.gz PBAFBNLWNGQPTJ-UHFFFAOYSA-N 2 2 194.625 1.503 10 0 ADAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(C2CC2)CC1 649583550 410216000 /nfs/dbraw/zinc/21/60/00/410216000.db2.gz RDKPEIIBFBEECY-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(C2CC2)CC1 649583550 410216008 /nfs/dbraw/zinc/21/60/08/410216008.db2.gz RDKPEIIBFBEECY-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP C[C@@H]1C[C@H]([N@H+](C)CCF)CC[NH+]1C 306547737 629657249 /nfs/dbraw/zinc/65/72/49/629657249.db2.gz GCMLIBDPRNQSED-NXEZZACHSA-N 2 2 188.290 1.370 10 0 ADAELP CC[N@H+](CC1CC1)C[C@@](C)([NH3+])C1CC1 68947594 572012195 /nfs/dbraw/zinc/01/21/95/572012195.db2.gz RDURRVMEVZUQDG-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP CC[N@@H+](CC1CC1)C[C@@](C)([NH3+])C1CC1 68947594 572012197 /nfs/dbraw/zinc/01/21/97/572012197.db2.gz RDURRVMEVZUQDG-GFCCVEGCSA-N 2 2 196.338 1.846 10 0 ADAELP CC[N@H+](CC1CC1)[C@@H](C[NH2+]C)C(C)C 68948612 572016632 /nfs/dbraw/zinc/01/66/32/572016632.db2.gz ZFFJVSOPAGELQC-LBPRGKRZSA-N 2 2 198.354 1.962 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCC[C@H]1C 300235998 572016634 /nfs/dbraw/zinc/01/66/34/572016634.db2.gz SNABIRPUZFRBMC-IJLUTSLNSA-N 2 2 198.354 1.962 10 0 ADAELP CC[N@@H+](CC1CC1)[C@@H](C[NH2+]C)C(C)C 68948612 572016635 /nfs/dbraw/zinc/01/66/35/572016635.db2.gz ZFFJVSOPAGELQC-LBPRGKRZSA-N 2 2 198.354 1.962 10 0 ADAELP CCCc1cc(NC[C@H](C)[NH3+])nc[nH+]1 82575485 572060245 /nfs/dbraw/zinc/06/02/45/572060245.db2.gz IHUCAHGVCAZMOL-QMMMGPOBSA-N 2 2 194.282 1.188 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCC1 37092721 572086650 /nfs/dbraw/zinc/08/66/50/572086650.db2.gz OVLWXUYENNPIIR-KOLCDFICSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCC1 37092721 572086652 /nfs/dbraw/zinc/08/66/52/572086652.db2.gz OVLWXUYENNPIIR-KOLCDFICSA-N 2 2 184.327 1.987 10 0 ADAELP C[C@@H](C[NH2+][C@H]1C=CCCC1)[NH+](C)C 235143378 572113026 /nfs/dbraw/zinc/11/30/26/572113026.db2.gz LTLMHVCAFZMABH-QWRGUYRKSA-N 2 2 182.311 1.635 10 0 ADAELP [NH3+][C@@H](c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 71506757 572143862 /nfs/dbraw/zinc/14/38/62/572143862.db2.gz OASLDDIIUBBXQF-QWRGUYRKSA-N 2 2 194.253 1.578 10 0 ADAELP CC[C@@H]1C[C@H]1[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 300374921 572143886 /nfs/dbraw/zinc/14/38/86/572143886.db2.gz CFBTUJJKKMDZJX-ADEWGFFLSA-N 2 2 194.322 1.611 10 0 ADAELP C[N@H+](CC[NH2+]C1CCCC1)C1CC1 37482424 572156132 /nfs/dbraw/zinc/15/61/32/572156132.db2.gz QQFYQCBBRXJQPA-UHFFFAOYSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@@H+](CC[NH2+]C1CCCC1)C1CC1 37482424 572156134 /nfs/dbraw/zinc/15/61/34/572156134.db2.gz QQFYQCBBRXJQPA-UHFFFAOYSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+](C)CC[NH2+]C1CCCC1 37482420 572156147 /nfs/dbraw/zinc/15/61/47/572156147.db2.gz LKCOMOKZZCTHSI-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CC[N@@H+](C)CC[NH2+]C1CCCC1 37482420 572156149 /nfs/dbraw/zinc/15/61/49/572156149.db2.gz LKCOMOKZZCTHSI-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@H+](C[C@@H]2CC2(C)C)C1 235403134 572916062 /nfs/dbraw/zinc/91/60/62/572916062.db2.gz VEIOIRSWVZZMPG-MNOVXSKESA-N 2 2 196.338 1.574 10 0 ADAELP C[C@@H]1C[NH2+]CC[N@@H+](C[C@@H]2CC2(C)C)C1 235403134 572916065 /nfs/dbraw/zinc/91/60/65/572916065.db2.gz VEIOIRSWVZZMPG-MNOVXSKESA-N 2 2 196.338 1.574 10 0 ADAELP CC[C@H](C)[N@H+](C)CC1([NH3+])CCC1 88051725 572946341 /nfs/dbraw/zinc/94/63/41/572946341.db2.gz CMQCHCVQRDKMEH-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@H](C)[N@@H+](C)CC1([NH3+])CCC1 88051725 572946344 /nfs/dbraw/zinc/94/63/44/572946344.db2.gz CMQCHCVQRDKMEH-VIFPVBQESA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@@H](C)[N@H+](C)CC1([NH3+])CCC1 88051724 572946412 /nfs/dbraw/zinc/94/64/12/572946412.db2.gz CMQCHCVQRDKMEH-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CC[C@@H](C)[N@@H+](C)CC1([NH3+])CCC1 88051724 572946414 /nfs/dbraw/zinc/94/64/14/572946414.db2.gz CMQCHCVQRDKMEH-SECBINFHSA-N 2 2 170.300 1.598 10 0 ADAELP CCC[C@@H](C)[N@H+](C)CC1([NH3+])CCC1 88051780 572946440 /nfs/dbraw/zinc/94/64/40/572946440.db2.gz MLBVZULWJCEBIY-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCC[C@@H](C)[N@@H+](C)CC1([NH3+])CCC1 88051780 572946442 /nfs/dbraw/zinc/94/64/42/572946442.db2.gz MLBVZULWJCEBIY-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCN(c1cc[nH+]cc1C[NH3+])C1CC1 88114978 572968220 /nfs/dbraw/zinc/96/82/20/572968220.db2.gz NXNJZZWGWBRCLX-UHFFFAOYSA-N 2 2 191.278 1.529 10 0 ADAELP CC[C@@H](C)N(C)c1cc[nH+]cc1C[NH3+] 88114841 572968238 /nfs/dbraw/zinc/96/82/38/572968238.db2.gz YFQSOXBADONLPR-SECBINFHSA-N 2 2 193.294 1.775 10 0 ADAELP CC1(C)C[C@@H]2C[C@](C)(C1)[C@@H]([NH3+])[NH2+]2 238242182 572996200 /nfs/dbraw/zinc/99/62/00/572996200.db2.gz LDEFNLYURSXXPB-KHQFGBGNSA-N 2 2 168.284 1.459 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308475459 573011628 /nfs/dbraw/zinc/01/16/28/573011628.db2.gz KWHFCIRQEVNBST-GRYCIOLGSA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+][C@H]1C2CC[NH+](CC2)[C@@H]1C1CCCC1 258220870 573011680 /nfs/dbraw/zinc/01/16/80/573011680.db2.gz YNIBOLWHMYCMPT-NWDGAFQWSA-N 2 2 194.322 1.598 10 0 ADAELP CCCC(=[NH2+])N1CC[N@H+](C)C(C)(C)C1 82477400 573059931 /nfs/dbraw/zinc/05/99/31/573059931.db2.gz NJMYJEFZTUYDNY-UHFFFAOYSA-N 2 2 197.326 1.790 10 0 ADAELP CCCC(=[NH2+])N1CC[N@@H+](C)C(C)(C)C1 82477400 573059934 /nfs/dbraw/zinc/05/99/34/573059934.db2.gz NJMYJEFZTUYDNY-UHFFFAOYSA-N 2 2 197.326 1.790 10 0 ADAELP C/C=C/CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 308252391 573085542 /nfs/dbraw/zinc/08/55/42/573085542.db2.gz BWPYWTSRQOXBRF-XKFHPXPTSA-N 2 2 182.311 1.492 10 0 ADAELP C/C=C/CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 308252391 573085546 /nfs/dbraw/zinc/08/55/46/573085546.db2.gz BWPYWTSRQOXBRF-XKFHPXPTSA-N 2 2 182.311 1.492 10 0 ADAELP C[NH2+]CC/C=C(\C)c1ccc[nH+]c1N 211891204 573166581 /nfs/dbraw/zinc/16/65/81/573166581.db2.gz BIGHZSOMZDHSCK-WEVVVXLNSA-N 2 2 191.278 1.677 10 0 ADAELP Cc1cccc(N[C@@H](C)C[NH3+])[nH+]1 82576342 573111124 /nfs/dbraw/zinc/11/11/24/573111124.db2.gz DVCDCOCHIUJTQI-QMMMGPOBSA-N 2 2 165.240 1.149 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C 642844541 573113813 /nfs/dbraw/zinc/11/38/13/573113813.db2.gz VWFYYKLTCIYTAR-OCIBVNFRSA-N 2 2 168.284 1.245 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C 642844541 573113819 /nfs/dbraw/zinc/11/38/19/573113819.db2.gz VWFYYKLTCIYTAR-OCIBVNFRSA-N 2 2 168.284 1.245 10 0 ADAELP c1cn([C@H]2CCC[NH2+]CC2)c[nH+]1 82666956 573151210 /nfs/dbraw/zinc/15/12/10/573151210.db2.gz AFLJQIHZZGYIAK-VIFPVBQESA-N 2 2 165.240 1.198 10 0 ADAELP C[NH+](C)[C@H]1C(C)(C)CC[C@]1(C)[NH3+] 238297453 573166742 /nfs/dbraw/zinc/16/67/42/573166742.db2.gz GRZRCBZDCKMLFO-WPRPVWTQSA-N 2 2 170.300 1.454 10 0 ADAELP CC(C)C[NH2+]C[C@@H](C)[NH+]1CC=CC1 308295994 573183624 /nfs/dbraw/zinc/18/36/24/573183624.db2.gz VOSZPFVHNVAMDS-LLVKDONJSA-N 2 2 182.311 1.492 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1csc(C(F)F)c1 104684816 573183947 /nfs/dbraw/zinc/18/39/47/573183947.db2.gz YOGAPNWLGBPISI-YFKPBYRVSA-N 2 2 192.234 1.644 10 0 ADAELP CC(C)C[NH2+]C[C@H](C)[NH+]1CC=CC1 308295995 573183955 /nfs/dbraw/zinc/18/39/55/573183955.db2.gz VOSZPFVHNVAMDS-NSHDSACASA-N 2 2 182.311 1.492 10 0 ADAELP CC[C@@H]1C[N@@H+]([C@@H](C)C[NH3+])CCS1 123785586 573184172 /nfs/dbraw/zinc/18/41/72/573184172.db2.gz DLMVELYZQLAQAA-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CC[C@@H]1C[N@H+]([C@@H](C)C[NH3+])CCS1 123785586 573184179 /nfs/dbraw/zinc/18/41/79/573184179.db2.gz DLMVELYZQLAQAA-DTWKUNHWSA-N 2 2 188.340 1.161 10 0 ADAELP CC[N@@H+]1CC[NH2+]Cc2ccccc2C1 259359913 573184184 /nfs/dbraw/zinc/18/41/84/573184184.db2.gz KEQTVQVXHHHKIV-UHFFFAOYSA-N 2 2 190.290 1.612 10 0 ADAELP CC[N@H+]1CC[NH2+]Cc2ccccc2C1 259359913 573184188 /nfs/dbraw/zinc/18/41/88/573184188.db2.gz KEQTVQVXHHHKIV-UHFFFAOYSA-N 2 2 190.290 1.612 10 0 ADAELP Cc1[nH]c2c([nH+]1)C[C@H]1C[C@@H]2CC[NH2+]1 115502081 573199487 /nfs/dbraw/zinc/19/94/87/573199487.db2.gz DLNFPFMCOVGHSY-JGVFFNPUSA-N 2 2 177.251 1.110 10 0 ADAELP CC1=[NH+][C@@H](C)C[NH2+][C@@H](C)C1 104698908 573199612 /nfs/dbraw/zinc/19/96/12/573199612.db2.gz VNXXDJYSTJIMPO-XPUUQOCRSA-N 2 2 140.230 1.218 10 0 ADAELP CC1(C)CC(C)(C)[NH2+]C[NH2+]1 104697863 573199833 /nfs/dbraw/zinc/19/98/33/573199833.db2.gz DFRNXGQFGJMHIQ-UHFFFAOYSA-N 2 2 142.246 1.084 10 0 ADAELP FCC[N@@H+]1CC[C@@]2(CCC[NH2+]C2)C1 642874017 573200086 /nfs/dbraw/zinc/20/00/86/573200086.db2.gz ZVWGFRSNVPCWHA-SNVBAGLBSA-N 2 2 186.274 1.031 10 0 ADAELP FCC[N@H+]1CC[C@@]2(CCC[NH2+]C2)C1 642874017 573200091 /nfs/dbraw/zinc/20/00/91/573200091.db2.gz ZVWGFRSNVPCWHA-SNVBAGLBSA-N 2 2 186.274 1.031 10 0 ADAELP CC1=[NH+][C@@H](C)C[NH2+][C@H](C)C1 104698905 573200410 /nfs/dbraw/zinc/20/04/10/573200410.db2.gz VNXXDJYSTJIMPO-SVRRBLITSA-N 2 2 140.230 1.218 10 0 ADAELP CC1=[NH+][C@H](C)C[NH2+][C@@H](C)C1 104698903 573201025 /nfs/dbraw/zinc/20/10/25/573201025.db2.gz VNXXDJYSTJIMPO-POYBYMJQSA-N 2 2 140.230 1.218 10 0 ADAELP C[NH2+][C@@H](c1cccc(F)c1)[C@H](C)[NH3+] 259367693 573202986 /nfs/dbraw/zinc/20/29/86/573202986.db2.gz KLVNBAZDGKPCAD-OIBJUYFYSA-N 2 2 182.242 1.433 10 0 ADAELP C[C@H](C[NH3+])[C@@H]1c2cc[nH+]cc2C[C@H]1C 257746621 573203005 /nfs/dbraw/zinc/20/30/05/573203005.db2.gz XVFMCGZYAXUEMO-KBVBSXBZSA-N 2 2 190.290 1.952 10 0 ADAELP C[NH2+][C@@H](c1ccccc1C)[C@@H](C)[NH3+] 259371561 573203115 /nfs/dbraw/zinc/20/31/15/573203115.db2.gz KOYLVPYZBYTCBQ-MWLCHTKSSA-N 2 2 178.279 1.603 10 0 ADAELP CC(C)[C@@H](C)C[NH2+]CCc1c[nH]c[nH+]1 308517178 573203239 /nfs/dbraw/zinc/20/32/39/573203239.db2.gz OJONDVUFXYOPBF-JTQLQIEISA-N 2 2 195.310 1.834 10 0 ADAELP CC(C)[C@@H](C)C[NH2+]CCc1c[nH+]c[nH]1 308517178 573203244 /nfs/dbraw/zinc/20/32/44/573203244.db2.gz OJONDVUFXYOPBF-JTQLQIEISA-N 2 2 195.310 1.834 10 0 ADAELP FCC[N@@H+]1CC[C@]2(CCC[NH2+]C2)C1 642874015 573203246 /nfs/dbraw/zinc/20/32/46/573203246.db2.gz ZVWGFRSNVPCWHA-JTQLQIEISA-N 2 2 186.274 1.031 10 0 ADAELP FCC[N@H+]1CC[C@]2(CCC[NH2+]C2)C1 642874015 573203252 /nfs/dbraw/zinc/20/32/52/573203252.db2.gz ZVWGFRSNVPCWHA-JTQLQIEISA-N 2 2 186.274 1.031 10 0 ADAELP Cc1c[nH]c(-c2cccc(C[NH3+])c2)[nH+]1 235926009 573203413 /nfs/dbraw/zinc/20/34/13/573203413.db2.gz QFWCBWVYWRUCQW-UHFFFAOYSA-N 2 2 187.246 1.844 10 0 ADAELP C[C@H]([NH3+])C[C@@H](C)n1cc[nH+]c1 82803547 573205276 /nfs/dbraw/zinc/20/52/76/573205276.db2.gz ZSDOEMRYVQKBFH-JGVFFNPUSA-N 2 2 153.229 1.181 10 0 ADAELP CC[C@H]([NH3+])c1cc(N(C)C)cc[nH+]1 238313322 573205772 /nfs/dbraw/zinc/20/57/72/573205772.db2.gz AOJFGKKONCXZNY-VIFPVBQESA-N 2 2 179.267 1.557 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1ccc(C)c(C)c1 259372893 573208714 /nfs/dbraw/zinc/20/87/14/573208714.db2.gz MWELKYLXQOQHSY-GFCCVEGCSA-N 2 2 192.306 1.913 10 0 ADAELP CC[C@H](C)[NH2+]CC[NH2+][C@@H]1CC12CC2 715668076 573208784 /nfs/dbraw/zinc/20/87/84/573208784.db2.gz MSGAWSZCSXGSRJ-VHSXEESVSA-N 2 2 182.311 1.517 10 0 ADAELP CCc1ccc([C@@H](C[NH2+]C)[NH2+]C)cc1 259375918 573208977 /nfs/dbraw/zinc/20/89/77/573208977.db2.gz KTBXQAITUBCQAQ-GFCCVEGCSA-N 2 2 192.306 1.729 10 0 ADAELP CCc1ccc([C@H](C[NH2+]C)[NH2+]C)cc1 259375922 573209027 /nfs/dbraw/zinc/20/90/27/573209027.db2.gz KTBXQAITUBCQAQ-LBPRGKRZSA-N 2 2 192.306 1.729 10 0 ADAELP C[NH2+]C[C@H]([NH2+]C)c1ccc(C)cc1 259603551 573209229 /nfs/dbraw/zinc/20/92/29/573209229.db2.gz XDAFUZSUEJWSJJ-NSHDSACASA-N 2 2 178.279 1.475 10 0 ADAELP C[C@@H]1C[NH+](C[C@](C)([NH3+])C2CC2)C[C@H]1C 86015436 573225451 /nfs/dbraw/zinc/22/54/51/573225451.db2.gz SOGSQERNQWJKMN-FOGDFJRCSA-N 2 2 196.338 1.702 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]2)C[C@@H]1C 86014989 573224892 /nfs/dbraw/zinc/22/48/92/573224892.db2.gz HWTNSVAPXXZRIS-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]2)C[C@@H]1C 86014989 573224894 /nfs/dbraw/zinc/22/48/94/573224894.db2.gz HWTNSVAPXXZRIS-TUAOUCFPSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]([NH3+])CCC[N@@H+]1CCC(F)(F)C1 259384256 573225018 /nfs/dbraw/zinc/22/50/18/573225018.db2.gz HBGLSMBWCDFNBC-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP C[C@@H]([NH3+])CCC[N@H+]1CCC(F)(F)C1 259384256 573225023 /nfs/dbraw/zinc/22/50/23/573225023.db2.gz HBGLSMBWCDFNBC-MRVPVSSYSA-N 2 2 192.253 1.455 10 0 ADAELP CC1CCC([N@H+](C)CC(N)=[NH2+])CC1 104754615 573225136 /nfs/dbraw/zinc/22/51/36/573225136.db2.gz QLDRWRDFEKTZQJ-UHFFFAOYSA-N 2 2 183.299 1.433 10 0 ADAELP CC1CCC([N@@H+](C)CC(N)=[NH2+])CC1 104754615 573225139 /nfs/dbraw/zinc/22/51/39/573225139.db2.gz QLDRWRDFEKTZQJ-UHFFFAOYSA-N 2 2 183.299 1.433 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 308312033 573225309 /nfs/dbraw/zinc/22/53/09/573225309.db2.gz RZDMCHSIVROTMV-HBNTYKKESA-N 2 2 184.327 1.572 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)C[C@@H]1C 86010082 573225315 /nfs/dbraw/zinc/22/53/15/573225315.db2.gz JIAQNBRJHVHORG-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP CC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 308312033 573225317 /nfs/dbraw/zinc/22/53/17/573225317.db2.gz RZDMCHSIVROTMV-HBNTYKKESA-N 2 2 184.327 1.572 10 0 ADAELP [NH3+][C@H](c1ccccc1)C1([NH3+])CC1 259383940 573225321 /nfs/dbraw/zinc/22/53/21/573225321.db2.gz LBOBZRAFRWOELI-SECBINFHSA-N 2 2 162.236 1.178 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)C[C@@H]1C 86010082 573225336 /nfs/dbraw/zinc/22/53/36/573225336.db2.gz JIAQNBRJHVHORG-OUAUKWLOSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C 86010254 573225579 /nfs/dbraw/zinc/22/55/79/573225579.db2.gz AVRCQLJYLXDYAK-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C 86010254 573225584 /nfs/dbraw/zinc/22/55/84/573225584.db2.gz AVRCQLJYLXDYAK-WRWGMCAJSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@H]([NH3+])CCC[N@@H+]1CCC(F)(F)C1 259384259 573225763 /nfs/dbraw/zinc/22/57/63/573225763.db2.gz HBGLSMBWCDFNBC-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP C[C@H]([NH3+])CCC[N@H+]1CCC(F)(F)C1 259384259 573225768 /nfs/dbraw/zinc/22/57/68/573225768.db2.gz HBGLSMBWCDFNBC-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP C[NH2+][C@H](C)[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86009250 573225837 /nfs/dbraw/zinc/22/58/37/573225837.db2.gz NAWQLDAXCCIZJL-DBIOUOCHSA-N 2 2 184.327 1.571 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc2ncoc2c1 259381649 573225949 /nfs/dbraw/zinc/22/59/49/573225949.db2.gz NFPKJXTUERDIMH-MRVPVSSYSA-N 2 2 191.234 1.047 10 0 ADAELP C[C@@H]1C[NH+](C[C@@H]2CCCC[NH2+]2)C[C@H]1C 86010053 573225975 /nfs/dbraw/zinc/22/59/75/573225975.db2.gz JFUMRMHMQZKGBG-UTUOFQBUSA-N 2 2 196.338 1.716 10 0 ADAELP CCCC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 308519846 573226019 /nfs/dbraw/zinc/22/60/19/573226019.db2.gz XDXDUUSACZWQNT-NSHDSACASA-N 2 2 198.310 1.026 10 0 ADAELP CCCC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 308519846 573226023 /nfs/dbraw/zinc/22/60/23/573226023.db2.gz XDXDUUSACZWQNT-NSHDSACASA-N 2 2 198.310 1.026 10 0 ADAELP CC[N@@H+]1CCCC[NH2+]C(C)(C)C1 259381752 573226081 /nfs/dbraw/zinc/22/60/81/573226081.db2.gz LHUJWAYEOVXWDP-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CC[N@H+]1CCCC[NH2+]C(C)(C)C1 259381752 573226084 /nfs/dbraw/zinc/22/60/84/573226084.db2.gz LHUJWAYEOVXWDP-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP C[C@@H]1C[NH+](C[C@@H]2CCC[NH2+]2)C[C@H]1C 86010058 573226111 /nfs/dbraw/zinc/22/61/11/573226111.db2.gz GGKXRVNVBOBMCS-MXWKQRLJSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1C[N@@H+](C[C@](C)([NH3+])C2CC2)C[C@@H]1C 86015428 573226145 /nfs/dbraw/zinc/22/61/45/573226145.db2.gz SOGSQERNQWJKMN-UMNHJUIQSA-N 2 2 196.338 1.702 10 0 ADAELP C[C@@H]1C[N@H+](C[C@](C)([NH3+])C2CC2)C[C@@H]1C 86015428 573226153 /nfs/dbraw/zinc/22/61/53/573226153.db2.gz SOGSQERNQWJKMN-UMNHJUIQSA-N 2 2 196.338 1.702 10 0 ADAELP C[C@H]1CCC[C@H]([N@H+](C)CC(N)=[NH2+])C1 104762953 573229900 /nfs/dbraw/zinc/22/99/00/573229900.db2.gz MMJFLCVCKSPLGN-IUCAKERBSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@H]1CCC[C@H]([N@@H+](C)CC(N)=[NH2+])C1 104762953 573229906 /nfs/dbraw/zinc/22/99/06/573229906.db2.gz MMJFLCVCKSPLGN-IUCAKERBSA-N 2 2 183.299 1.433 10 0 ADAELP C[C@@H]1C[NH+]([C@@H]2CCC[NH2+]C2)C[C@H]1C 86010085 573229966 /nfs/dbraw/zinc/22/99/66/573229966.db2.gz JIAQNBRJHVHORG-GMTAPVOTSA-N 2 2 182.311 1.326 10 0 ADAELP C[NH2+]C(C)(C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86015212 573230041 /nfs/dbraw/zinc/23/00/41/573230041.db2.gz RWUVRZVEOUGTJA-AOOOYVTPSA-N 2 2 184.327 1.572 10 0 ADAELP C[NH2+]C(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015212 573230045 /nfs/dbraw/zinc/23/00/45/573230045.db2.gz RWUVRZVEOUGTJA-AOOOYVTPSA-N 2 2 184.327 1.572 10 0 ADAELP CC(C)[C@H](C[NH3+])c1[nH]cc[nH+]1 82842778 573230291 /nfs/dbraw/zinc/23/02/91/573230291.db2.gz GXFRXLANMZVONL-ZETCQYMHSA-N 2 2 153.229 1.108 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 221192948 573239519 /nfs/dbraw/zinc/23/95/19/573239519.db2.gz PMGRDUWHMPZBFP-SCVCMEIPSA-N 2 2 196.338 1.987 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 221192948 573239524 /nfs/dbraw/zinc/23/95/24/573239524.db2.gz PMGRDUWHMPZBFP-SCVCMEIPSA-N 2 2 196.338 1.987 10 0 ADAELP CCCc1c[nH]c(C2(C[NH3+])CCC2)[nH+]1 259048963 573247668 /nfs/dbraw/zinc/24/76/68/573247668.db2.gz IIMVENZXKOLYJK-UHFFFAOYSA-N 2 2 193.294 1.743 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H]1C[C@@H]1C 308522682 573247687 /nfs/dbraw/zinc/24/76/87/573247687.db2.gz PMGFBRJNCKJJIV-TUAOUCFPSA-N 2 2 198.354 1.818 10 0 ADAELP C[C@@H]1CCCC[C@H]1C[NH2+]CC[NH+](C)C 42862753 573271086 /nfs/dbraw/zinc/27/10/86/573271086.db2.gz MEJRLKKJUZJFCJ-NEPJUHHUSA-N 2 2 198.354 1.964 10 0 ADAELP CCC[NH2+][C@@H](CC)C[NH+](C)C 50166506 573271098 /nfs/dbraw/zinc/27/10/98/573271098.db2.gz QXNYJWCCQGUYND-VIFPVBQESA-N 2 2 158.289 1.326 10 0 ADAELP Cc1ccc([C@@](C)([NH3+])C[NH3+])c(C)c1C 259064971 573271173 /nfs/dbraw/zinc/27/11/73/573271173.db2.gz MXDGFTOEBZCJOY-LBPRGKRZSA-N 2 2 192.306 1.744 10 0 ADAELP C[C@@H](CCC[NH+](C)C)[NH+]1CC(F)C1 308338660 573271509 /nfs/dbraw/zinc/27/15/09/573271509.db2.gz PMLNZIIAKSGGCR-VIFPVBQESA-N 2 2 188.290 1.370 10 0 ADAELP CC[N@H+](C)Cc1cc(NC)cc[nH+]1 86134450 573271547 /nfs/dbraw/zinc/27/15/47/573271547.db2.gz VSXLAOVKNDSYCO-UHFFFAOYSA-N 2 2 179.267 1.575 10 0 ADAELP CC[N@@H+](C)Cc1cc(NC)cc[nH+]1 86134450 573271555 /nfs/dbraw/zinc/27/15/55/573271555.db2.gz VSXLAOVKNDSYCO-UHFFFAOYSA-N 2 2 179.267 1.575 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])[C@@H]1CC1(C)C 236071031 573271560 /nfs/dbraw/zinc/27/15/60/573271560.db2.gz OMMJUNKVUJBBII-IUCAKERBSA-N 2 2 193.294 1.336 10 0 ADAELP C[N@@H+]1CCCC[C@@H]1c1ncc(C[NH3+])o1 258270916 573271593 /nfs/dbraw/zinc/27/15/93/573271593.db2.gz XVBVPQNMLWNUPT-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP C[N@H+]1CCCC[C@@H]1c1ncc(C[NH3+])o1 258270916 573271600 /nfs/dbraw/zinc/27/16/00/573271600.db2.gz XVBVPQNMLWNUPT-SECBINFHSA-N 2 2 195.266 1.290 10 0 ADAELP CCC(=O)C[N@@H+](CC)C1CC[NH2+]CC1 50180559 573271633 /nfs/dbraw/zinc/27/16/33/573271633.db2.gz SJRYPSLTUQFFSU-UHFFFAOYSA-N 2 2 198.310 1.039 10 0 ADAELP CCC(=O)C[N@H+](CC)C1CC[NH2+]CC1 50180559 573271639 /nfs/dbraw/zinc/27/16/39/573271639.db2.gz SJRYPSLTUQFFSU-UHFFFAOYSA-N 2 2 198.310 1.039 10 0 ADAELP CC[NH2+]CC[N@H+](CC)CCSC 129333976 573271915 /nfs/dbraw/zinc/27/19/15/573271915.db2.gz YGVNLWYDZLANIV-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CC[NH2+]CC[N@@H+](CC)CCSC 129333976 573271920 /nfs/dbraw/zinc/27/19/20/573271920.db2.gz YGVNLWYDZLANIV-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CNc1cc[nH+]c(C[N@H+](C)C2CC2)c1 86134444 573271968 /nfs/dbraw/zinc/27/19/68/573271968.db2.gz NNXVAGKCMOQGIR-UHFFFAOYSA-N 2 2 191.278 1.718 10 0 ADAELP CNc1cc[nH+]c(C[N@@H+](C)C2CC2)c1 86134444 573271974 /nfs/dbraw/zinc/27/19/74/573271974.db2.gz NNXVAGKCMOQGIR-UHFFFAOYSA-N 2 2 191.278 1.718 10 0 ADAELP CCC[NH2+][C@H](CC)C[NH+](C)C 50166508 573272055 /nfs/dbraw/zinc/27/20/55/573272055.db2.gz QXNYJWCCQGUYND-SECBINFHSA-N 2 2 158.289 1.326 10 0 ADAELP Cn1cc[nH+]c1C[C@H]([NH3+])[C@H]1CC1(C)C 236071120 573272096 /nfs/dbraw/zinc/27/20/96/573272096.db2.gz OMMJUNKVUJBBII-BDAKNGLRSA-N 2 2 193.294 1.336 10 0 ADAELP CC[C@H](C[N@H+](C)[C@@H](C)C(C)C)[NH2+]C 50179316 573272097 /nfs/dbraw/zinc/27/20/97/573272097.db2.gz HLWAWMORMYTGOC-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CC[C@H](C[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C 50179316 573272106 /nfs/dbraw/zinc/27/21/06/573272106.db2.gz HLWAWMORMYTGOC-WDEREUQCSA-N 2 2 186.343 1.961 10 0 ADAELP CC[NH2+]Cc1cn(C(C)C)c(N)[nH+]1 257987525 573272145 /nfs/dbraw/zinc/27/21/45/573272145.db2.gz BEQGKRTZDTYEBN-UHFFFAOYSA-N 2 2 182.271 1.156 10 0 ADAELP CC[C@@H](C[N@@H+]1C[C@@H](C)C[C@@H](C)C1)[NH2+]C 50166228 573272205 /nfs/dbraw/zinc/27/22/05/573272205.db2.gz MENLDPSEWQROOU-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H](C[N@H+]1C[C@@H](C)C[C@@H](C)C1)[NH2+]C 50166228 573272212 /nfs/dbraw/zinc/27/22/12/573272212.db2.gz MENLDPSEWQROOU-TUAOUCFPSA-N 2 2 198.354 1.962 10 0 ADAELP CCC[N@H+](CC[NH2+]C)CCSC 129336396 573273457 /nfs/dbraw/zinc/27/34/57/573273457.db2.gz DDPVEPCYOKHTOM-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CCC[N@@H+](CC[NH2+]C)CCSC 129336396 573273463 /nfs/dbraw/zinc/27/34/63/573273463.db2.gz DDPVEPCYOKHTOM-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CCSCCC[N@H+](C)CC[NH2+]C 129332825 573273801 /nfs/dbraw/zinc/27/38/01/573273801.db2.gz ACYITYAZBMMKNG-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CCSCCC[N@@H+](C)CC[NH2+]C 129332825 573273813 /nfs/dbraw/zinc/27/38/13/573273813.db2.gz ACYITYAZBMMKNG-UHFFFAOYSA-N 2 2 190.356 1.281 10 0 ADAELP CC[C@@H](C[NH+]1CCCCCC1)[NH2+]C 50166371 573273850 /nfs/dbraw/zinc/27/38/50/573273850.db2.gz XLXJAUJASWYDCY-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CC[C@@H](C[N@H+](CC)CC(C)C)[NH2+]C 50179237 573274294 /nfs/dbraw/zinc/27/42/94/573274294.db2.gz MZRYJDPZSXFWQK-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP CC[C@@H](C[N@@H+](CC)CC(C)C)[NH2+]C 50179237 573274299 /nfs/dbraw/zinc/27/42/99/573274299.db2.gz MZRYJDPZSXFWQK-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP CCNc1cc[nH+]c(C[NH+](C)C)c1 86134418 573274322 /nfs/dbraw/zinc/27/43/22/573274322.db2.gz SDZAWEKUGXMGRR-UHFFFAOYSA-N 2 2 179.267 1.575 10 0 ADAELP C[N@H+](Cc1cc(N)cc[nH+]1)C1CC1 86134443 573274393 /nfs/dbraw/zinc/27/43/93/573274393.db2.gz SGIZDFGFJKEVCT-UHFFFAOYSA-N 2 2 177.251 1.258 10 0 ADAELP C[N@@H+](Cc1cc(N)cc[nH+]1)C1CC1 86134443 573274399 /nfs/dbraw/zinc/27/43/99/573274399.db2.gz SGIZDFGFJKEVCT-UHFFFAOYSA-N 2 2 177.251 1.258 10 0 ADAELP CC[C@H](C[NH+]1CCCCCC1)[NH2+]C 50166373 573274480 /nfs/dbraw/zinc/27/44/80/573274480.db2.gz XLXJAUJASWYDCY-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CC[C@@H](C[N@H+](CC)C1CC1)[NH2+]C 50179171 573274486 /nfs/dbraw/zinc/27/44/86/573274486.db2.gz CIPVKGQHJSOHHP-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CC[C@@H](C[N@@H+](CC)C1CC1)[NH2+]C 50179171 573274490 /nfs/dbraw/zinc/27/44/90/573274490.db2.gz CIPVKGQHJSOHHP-VIFPVBQESA-N 2 2 170.300 1.469 10 0 ADAELP CCC[NH2+][C@@H](CC)C[N@H+](C)CC 50179169 573274516 /nfs/dbraw/zinc/27/45/16/573274516.db2.gz VBPZMKHUDPQMPT-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP CCC[NH2+][C@@H](CC)C[N@@H+](C)CC 50179169 573274520 /nfs/dbraw/zinc/27/45/20/573274520.db2.gz VBPZMKHUDPQMPT-JTQLQIEISA-N 2 2 172.316 1.716 10 0 ADAELP C[C@@H](C[NH+]1CCCC1)[NH2+]CC1(C)CC1 308535446 573274558 /nfs/dbraw/zinc/27/45/58/573274558.db2.gz MEDYYLHACVPYBX-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@@H+]1CCSC 129335852 573274614 /nfs/dbraw/zinc/27/46/14/573274614.db2.gz DNCUNQBECODBSY-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP C[NH2+]C[C@@H]1CCC[N@H+]1CCSC 129335852 573274622 /nfs/dbraw/zinc/27/46/22/573274622.db2.gz DNCUNQBECODBSY-VIFPVBQESA-N 2 2 188.340 1.033 10 0 ADAELP Cn1cc[nH+]c1Cc1ccoc1C[NH3+] 236075689 573274838 /nfs/dbraw/zinc/27/48/38/573274838.db2.gz ZGTAHIGNIJIDJZ-UHFFFAOYSA-N 2 2 191.234 1.063 10 0 ADAELP CCC[NH2+][C@@H](CC)C[N@H+](C)C1CC1 50179181 573274848 /nfs/dbraw/zinc/27/48/48/573274848.db2.gz SWXRAJVTAGDWOW-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@@H](CC)C[N@@H+](C)C1CC1 50179181 573274853 /nfs/dbraw/zinc/27/48/53/573274853.db2.gz SWXRAJVTAGDWOW-JTQLQIEISA-N 2 2 184.327 1.859 10 0 ADAELP Cc1ccc([C@](C)([NH3+])C[NH3+])c(C)c1C 259064968 573274886 /nfs/dbraw/zinc/27/48/86/573274886.db2.gz MXDGFTOEBZCJOY-GFCCVEGCSA-N 2 2 192.306 1.744 10 0 ADAELP CC[C@@H](C[N@H+](C)C1CC1)[NH2+]C 50179177 573274902 /nfs/dbraw/zinc/27/49/02/573274902.db2.gz LRYZEGSFUNVDFG-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@@H](C[N@@H+](C)C1CC1)[NH2+]C 50179177 573274904 /nfs/dbraw/zinc/27/49/04/573274904.db2.gz LRYZEGSFUNVDFG-QMMMGPOBSA-N 2 2 156.273 1.079 10 0 ADAELP CC[C@H]1C[N@H+](C)C2(CCCC2)C[NH2+]1 82936890 573291567 /nfs/dbraw/zinc/29/15/67/573291567.db2.gz YLGAZXKKERLBET-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC[C@H]1C[N@@H+](C)C2(CCCC2)C[NH2+]1 82936890 573291572 /nfs/dbraw/zinc/29/15/72/573291572.db2.gz YLGAZXKKERLBET-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)[C@@H](C)[C@@H]([NH3+])Cc1[nH+]ccn1C 132344261 573291769 /nfs/dbraw/zinc/29/17/69/573291769.db2.gz MUEHFLSJBXKEBP-ZJUUUORDSA-N 2 2 195.310 1.582 10 0 ADAELP CC[C@@H](C)C[C@H]([NH3+])Cc1[nH+]ccn1C 132332250 573294898 /nfs/dbraw/zinc/29/48/98/573294898.db2.gz QTHJMRRACFTRJM-ZJUUUORDSA-N 2 2 195.310 1.726 10 0 ADAELP CCc1c[nH+]cc(N)c1C1(C[NH3+])CC1 238325087 573294530 /nfs/dbraw/zinc/29/45/30/573294530.db2.gz LPPVQEQNYLDGBP-UHFFFAOYSA-N 2 2 191.278 1.217 10 0 ADAELP C[C@@H](C1CC1)[C@H]([NH3+])Cc1[nH+]ccn1C 132337248 573294539 /nfs/dbraw/zinc/29/45/39/573294539.db2.gz AXHBSBQSXZBGGM-WCBMZHEXSA-N 2 2 193.294 1.336 10 0 ADAELP CCc1c[nH+]c([C@@H](C)CC[NH3+])[nH]1 259072467 573294555 /nfs/dbraw/zinc/29/45/55/573294555.db2.gz KXBYXLNAQXKLSI-ZETCQYMHSA-N 2 2 167.256 1.424 10 0 ADAELP Cc1ccc2c(c1)CC[N@@H+](C)[C@@H]2C[NH3+] 74273818 573294594 /nfs/dbraw/zinc/29/45/94/573294594.db2.gz JGSVJOUQICKEEI-GFCCVEGCSA-N 2 2 190.290 1.483 10 0 ADAELP Cc1ccc2c(c1)CC[N@H+](C)[C@@H]2C[NH3+] 74273818 573294598 /nfs/dbraw/zinc/29/45/98/573294598.db2.gz JGSVJOUQICKEEI-GFCCVEGCSA-N 2 2 190.290 1.483 10 0 ADAELP [NH3+]C[C@H]([NH3+])CNc1ccc(Cl)cc1 259070393 573294610 /nfs/dbraw/zinc/29/46/10/573294610.db2.gz XHSUCAYRZODGKD-QMMMGPOBSA-N 2 2 199.685 1.038 10 0 ADAELP CC[N@@H+]1C[C@H](C)[NH2+]CC12CCCC2 82935443 573294648 /nfs/dbraw/zinc/29/46/48/573294648.db2.gz IBODYVLIJYPOOI-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1C[C@H](C)[NH2+]CC12CCCC2 82935443 573294656 /nfs/dbraw/zinc/29/46/56/573294656.db2.gz IBODYVLIJYPOOI-JTQLQIEISA-N 2 2 182.311 1.613 10 0 ADAELP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1C 82937048 573294729 /nfs/dbraw/zinc/29/47/29/573294729.db2.gz IFOYOJSEIYQFLP-MNOVXSKESA-N 2 2 198.354 1.961 10 0 ADAELP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1C 82937048 573294733 /nfs/dbraw/zinc/29/47/33/573294733.db2.gz IFOYOJSEIYQFLP-MNOVXSKESA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1cc(F)ccc1OC 258621682 573294826 /nfs/dbraw/zinc/29/48/26/573294826.db2.gz BMACTIVTBPMXPD-VIFPVBQESA-N 2 2 198.241 1.054 10 0 ADAELP C[C@@H](C1CC1)[C@@H]([NH3+])Cc1[nH+]ccn1C 132337646 573295662 /nfs/dbraw/zinc/29/56/62/573295662.db2.gz AXHBSBQSXZBGGM-WPRPVWTQSA-N 2 2 193.294 1.336 10 0 ADAELP [NH3+]CC1(COc2cc[nH+]cc2)CC1 259408749 573295846 /nfs/dbraw/zinc/29/58/46/573295846.db2.gz CJRIWTGJUMUQMY-UHFFFAOYSA-N 2 2 178.235 1.199 10 0 ADAELP CC[C@@H](C)C[C@@H]([NH3+])Cc1[nH+]ccn1C 132332663 573296077 /nfs/dbraw/zinc/29/60/77/573296077.db2.gz QTHJMRRACFTRJM-NXEZZACHSA-N 2 2 195.310 1.726 10 0 ADAELP CCCC[C@H](C)[N@@H+]1CCC[NH2+]CC1 50890845 573296080 /nfs/dbraw/zinc/29/60/80/573296080.db2.gz LTZRZXINQHZRIT-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP CCCC[C@H](C)[N@H+]1CCC[NH2+]CC1 50890845 573296084 /nfs/dbraw/zinc/29/60/84/573296084.db2.gz LTZRZXINQHZRIT-NSHDSACASA-N 2 2 184.327 1.860 10 0 ADAELP Cc1ccc([C@H]([NH+](C)C)C2([NH3+])CC2)o1 259071454 573296117 /nfs/dbraw/zinc/29/61/17/573296117.db2.gz DPFDXOZUONDPGT-JTQLQIEISA-N 2 2 194.278 1.682 10 0 ADAELP C[N@@H+]1CC(C)(C)[NH2+]CC12CCCC2 82936361 573296152 /nfs/dbraw/zinc/29/61/52/573296152.db2.gz ZAFSIEBJBVAKLX-UHFFFAOYSA-N 2 2 182.311 1.613 10 0 ADAELP C[N@H+]1CC(C)(C)[NH2+]CC12CCCC2 82936361 573296155 /nfs/dbraw/zinc/29/61/55/573296155.db2.gz ZAFSIEBJBVAKLX-UHFFFAOYSA-N 2 2 182.311 1.613 10 0 ADAELP CCc1[nH]c([C@@H](C)C[NH3+])[nH+]c1CC 308342226 573298363 /nfs/dbraw/zinc/29/83/63/573298363.db2.gz RRCJHQBOQJPUSE-ZETCQYMHSA-N 2 2 181.283 1.597 10 0 ADAELP C[C@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82941266 573299059 /nfs/dbraw/zinc/29/90/59/573299059.db2.gz QUUIOZDQHUTMCB-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP C[C@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82941266 573299064 /nfs/dbraw/zinc/29/90/64/573299064.db2.gz QUUIOZDQHUTMCB-VIFPVBQESA-N 2 2 168.284 1.080 10 0 ADAELP CC[C@H]([NH3+])C(C)(C)[NH+]1CCCCC1 74282324 573299283 /nfs/dbraw/zinc/29/92/83/573299283.db2.gz KRGDMKWNKSADDT-JTQLQIEISA-N 2 2 184.327 1.988 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)o1)C(C)(C)[NH3+] 259408884 573299324 /nfs/dbraw/zinc/29/93/24/573299324.db2.gz MCHAROBFJVDOJG-VIFPVBQESA-N 2 2 182.267 1.586 10 0 ADAELP C[N@@H+]1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 82938054 573299348 /nfs/dbraw/zinc/29/93/48/573299348.db2.gz ZMGHFDMRWUXSAJ-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP C[N@H+]1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 82938054 573299355 /nfs/dbraw/zinc/29/93/55/573299355.db2.gz ZMGHFDMRWUXSAJ-NSHDSACASA-N 2 2 194.322 1.613 10 0 ADAELP CCCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 50890844 573299497 /nfs/dbraw/zinc/29/94/97/573299497.db2.gz LTZRZXINQHZRIT-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP C[C@@H]1C[N@H+](CC2CC2)CCC[NH2+]1 82941264 573302199 /nfs/dbraw/zinc/30/21/99/573302199.db2.gz QUUIOZDQHUTMCB-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1C[N@@H+](CC2CC2)CCC[NH2+]1 82941264 573302205 /nfs/dbraw/zinc/30/22/05/573302205.db2.gz QUUIOZDQHUTMCB-SECBINFHSA-N 2 2 168.284 1.080 10 0 ADAELP Cc1ccc([C@@H]([NH3+])[C@@H](C)C[NH3+])o1 259408910 573302643 /nfs/dbraw/zinc/30/26/43/573302643.db2.gz OKNJQZCIZUEBHO-RCOVLWMOSA-N 2 2 168.240 1.183 10 0 ADAELP CCC1(CC)C[N@H+](C)C(C)(C)C[NH2+]1 82938674 573302685 /nfs/dbraw/zinc/30/26/85/573302685.db2.gz PRCNBHORNFIVCZ-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP CCC1(CC)C[N@@H+](C)C(C)(C)C[NH2+]1 82938674 573302688 /nfs/dbraw/zinc/30/26/88/573302688.db2.gz PRCNBHORNFIVCZ-UHFFFAOYSA-N 2 2 184.327 1.859 10 0 ADAELP CCCc1[nH]c2c([nH+]1)CC[NH2+]C2 82941043 573302829 /nfs/dbraw/zinc/30/28/29/573302829.db2.gz KUUCLPDYDCVFHE-UHFFFAOYSA-N 2 2 165.240 1.008 10 0 ADAELP Cc1ccc(C)c([C@H]([NH3+])C2([NH3+])CC2)c1 259409021 573302908 /nfs/dbraw/zinc/30/29/08/573302908.db2.gz MDAAQHNBHCNYHN-NSHDSACASA-N 2 2 190.290 1.795 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@@H](C)C[NH3+])o1 259408905 573303178 /nfs/dbraw/zinc/30/31/78/573303178.db2.gz OKNJQZCIZUEBHO-IMTBSYHQSA-N 2 2 168.240 1.183 10 0 ADAELP CCC[N@@H+]1C[C@H](CC)[NH2+]CC[C@@H]1C 82943370 573313940 /nfs/dbraw/zinc/31/39/40/573313940.db2.gz YUNDMVSUXZCMJE-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@H+]1C[C@H](CC)[NH2+]CC[C@@H]1C 82943370 573313944 /nfs/dbraw/zinc/31/39/44/573313944.db2.gz YUNDMVSUXZCMJE-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)C[N@@H+]1CCCC[NH2+][C@@H](C)C1 259412478 573313210 /nfs/dbraw/zinc/31/32/10/573313210.db2.gz MZGFIRKPULMGIA-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)C[N@H+]1CCCC[NH2+][C@@H](C)C1 259412478 573313212 /nfs/dbraw/zinc/31/32/12/573313212.db2.gz MZGFIRKPULMGIA-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)([NH3+])Cc1[nH]cc(C2CCC2)[nH+]1 259083223 573313227 /nfs/dbraw/zinc/31/32/27/573313227.db2.gz MAJMIGLQZJDMRK-UHFFFAOYSA-N 2 2 193.294 1.957 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@@H](CC)C1 82941886 573313235 /nfs/dbraw/zinc/31/32/35/573313235.db2.gz GUHFGDMUDMDFIL-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@@H](CC)C1 82941886 573313240 /nfs/dbraw/zinc/31/32/40/573313240.db2.gz GUHFGDMUDMDFIL-JTQLQIEISA-N 2 2 170.300 1.470 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@@H+]1CC1CC1 82942459 573313376 /nfs/dbraw/zinc/31/33/76/573313376.db2.gz UASGOTFTGGPNHP-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@H+]1CC1CC1 82942459 573313382 /nfs/dbraw/zinc/31/33/82/573313382.db2.gz UASGOTFTGGPNHP-ZJUUUORDSA-N 2 2 182.311 1.469 10 0 ADAELP [NH3+]C[C@]1(c2cccc(Cl)c2)CC[NH2+]1 258255456 573313397 /nfs/dbraw/zinc/31/33/97/573313397.db2.gz QHQCANMMKMLTFF-JTQLQIEISA-N 2 2 196.681 1.487 10 0 ADAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H]1C 308546083 573313425 /nfs/dbraw/zinc/31/34/25/573313425.db2.gz PPJMGIOZGPHJJR-WOPDTQHZSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@@H](C)C[N@@H+]1CCC[NH2+][C@H](C)C1 82941350 573313686 /nfs/dbraw/zinc/31/36/86/573313686.db2.gz REFUNRQPJWFPEJ-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H](C)C[N@H+]1CCC[NH2+][C@H](C)C1 82941350 573313692 /nfs/dbraw/zinc/31/36/92/573313692.db2.gz REFUNRQPJWFPEJ-GHMZBOCLSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 82943507 573313726 /nfs/dbraw/zinc/31/37/26/573313726.db2.gz LRJXKPBSCWTSRE-PWSUYJOCSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 82943507 573313735 /nfs/dbraw/zinc/31/37/35/573313735.db2.gz LRJXKPBSCWTSRE-PWSUYJOCSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)CC[N@@H+]1CCC[NH2+][C@@H](C)C1 82941283 573313862 /nfs/dbraw/zinc/31/38/62/573313862.db2.gz OQJBJYKMQSROEC-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[N@H+]1CCC[NH2+][C@@H](C)C1 82941283 573313866 /nfs/dbraw/zinc/31/38/66/573313866.db2.gz OQJBJYKMQSROEC-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 82941703 573313891 /nfs/dbraw/zinc/31/38/91/573313891.db2.gz VYTWPHWPJNZIHF-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 82941703 573313894 /nfs/dbraw/zinc/31/38/94/573313894.db2.gz VYTWPHWPJNZIHF-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[N@@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82943005 573315118 /nfs/dbraw/zinc/31/51/18/573315118.db2.gz LAINCFUBFILTBK-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942558 573314711 /nfs/dbraw/zinc/31/47/11/573314711.db2.gz WNFAGBKHNATBQP-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP CCC[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 82942558 573314717 /nfs/dbraw/zinc/31/47/17/573314717.db2.gz WNFAGBKHNATBQP-UWVGGRQHSA-N 2 2 170.300 1.469 10 0 ADAELP C[NH2+][C@@H](c1cccs1)C1([NH3+])CC1 259079801 573314738 /nfs/dbraw/zinc/31/47/38/573314738.db2.gz CNHOQPVXSODXTO-QMMMGPOBSA-N 2 2 182.292 1.500 10 0 ADAELP CCCC[N@@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942418 573314742 /nfs/dbraw/zinc/31/47/42/573314742.db2.gz YVXUXOCVISJLGB-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCCC[N@H+]1C[C@@H](C)[NH2+]CC[C@@H]1C 82942418 573314747 /nfs/dbraw/zinc/31/47/47/573314747.db2.gz YVXUXOCVISJLGB-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[C@H]([NH3+])Cc1cccc2[nH+]c[nH]c12 74308518 573314766 /nfs/dbraw/zinc/31/47/66/573314766.db2.gz NFKARABQLSUKSO-ZETCQYMHSA-N 2 2 175.235 1.453 10 0 ADAELP CC(C)[N@@H+]1C[C@H](C)[NH2+]CC[C@H]1C 82942509 573314767 /nfs/dbraw/zinc/31/47/67/573314767.db2.gz IMZWIPKSORAYNU-VHSXEESVSA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 82942509 573314772 /nfs/dbraw/zinc/31/47/72/573314772.db2.gz IMZWIPKSORAYNU-VHSXEESVSA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[N@@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 82942504 573314810 /nfs/dbraw/zinc/31/48/10/573314810.db2.gz IMZWIPKSORAYNU-NXEZZACHSA-N 2 2 170.300 1.467 10 0 ADAELP CC(C)[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 82942504 573314817 /nfs/dbraw/zinc/31/48/17/573314817.db2.gz IMZWIPKSORAYNU-NXEZZACHSA-N 2 2 170.300 1.467 10 0 ADAELP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 132497971 573314839 /nfs/dbraw/zinc/31/48/39/573314839.db2.gz COFRJOIXPSQHIX-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 132497971 573314842 /nfs/dbraw/zinc/31/48/42/573314842.db2.gz COFRJOIXPSQHIX-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP CC[N@@H+]1C[C@@](C)(CC)[NH2+]CC[C@H]1C 82943588 573314908 /nfs/dbraw/zinc/31/49/08/573314908.db2.gz WSAOFNYXRCFXME-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[N@H+]1C[C@@](C)(CC)[NH2+]CC[C@H]1C 82943588 573314912 /nfs/dbraw/zinc/31/49/12/573314912.db2.gz WSAOFNYXRCFXME-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1C[N@H+](CC(C)C)CCC[NH2+]1 82941829 573314978 /nfs/dbraw/zinc/31/49/78/573314978.db2.gz LSCSHAMYSASCBK-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H]1C[N@@H+](CC(C)C)CCC[NH2+]1 82941829 573314983 /nfs/dbraw/zinc/31/49/83/573314983.db2.gz LSCSHAMYSASCBK-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943510 573315005 /nfs/dbraw/zinc/31/50/05/573315005.db2.gz LRJXKPBSCWTSRE-JQWIXIFHSA-N 2 2 196.338 1.857 10 0 ADAELP CC(C)[N@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943510 573315009 /nfs/dbraw/zinc/31/50/09/573315009.db2.gz LRJXKPBSCWTSRE-JQWIXIFHSA-N 2 2 196.338 1.857 10 0 ADAELP CCC[N@H+]1CC(C)(C)[NH2+]CC[C@H]1C 82943005 573315122 /nfs/dbraw/zinc/31/51/22/573315122.db2.gz LAINCFUBFILTBK-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 82941710 573315063 /nfs/dbraw/zinc/31/50/63/573315063.db2.gz AZTPYTRWSFFQNR-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CCC[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 82941710 573315066 /nfs/dbraw/zinc/31/50/66/573315066.db2.gz AZTPYTRWSFFQNR-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 132498176 573315085 /nfs/dbraw/zinc/31/50/85/573315085.db2.gz COFRJOIXPSQHIX-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 132498176 573315088 /nfs/dbraw/zinc/31/50/88/573315088.db2.gz COFRJOIXPSQHIX-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP CC[C@H](C)C[N@@H+]1CCC[NH2+][C@H](C)C1 82941353 573315099 /nfs/dbraw/zinc/31/50/99/573315099.db2.gz REFUNRQPJWFPEJ-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H](C)C[N@H+]1CCC[NH2+][C@H](C)C1 82941353 573315103 /nfs/dbraw/zinc/31/51/03/573315103.db2.gz REFUNRQPJWFPEJ-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CCC(CC)[NH2+][C@H]1C[C@H](C)[N@H+](C)C1 129513821 573324212 /nfs/dbraw/zinc/32/42/12/573324212.db2.gz LVNDGZPBGDPRMX-ONGXEEELSA-N 2 2 184.327 1.857 10 0 ADAELP CCC(CC)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C1 129513821 573324217 /nfs/dbraw/zinc/32/42/17/573324217.db2.gz LVNDGZPBGDPRMX-ONGXEEELSA-N 2 2 184.327 1.857 10 0 ADAELP C[C@H]1C[N@@H+]([C@H]2CCCCO2)CCC[NH2+]1 258304115 573324319 /nfs/dbraw/zinc/32/43/19/573324319.db2.gz WOBJCOJBURQRBX-WDEREUQCSA-N 2 2 198.310 1.197 10 0 ADAELP CCC[C@H](CCc1cn(C)c[nH+]1)[NH2+]C 308553478 573324321 /nfs/dbraw/zinc/32/43/21/573324321.db2.gz RAGDLJWQKZRIGH-SNVBAGLBSA-N 2 2 195.310 1.741 10 0 ADAELP C[C@H]1C[N@H+]([C@H]2CCCCO2)CCC[NH2+]1 258304115 573324326 /nfs/dbraw/zinc/32/43/26/573324326.db2.gz WOBJCOJBURQRBX-WDEREUQCSA-N 2 2 198.310 1.197 10 0 ADAELP CCC[C@@]1(C[NH+]2CC=CC2)CCC[NH2+]1 308552606 573324539 /nfs/dbraw/zinc/32/45/39/573324539.db2.gz SOCLFLRJSDMJEL-LBPRGKRZSA-N 2 2 194.322 1.781 10 0 ADAELP Cc1cc([C@@H]([NH3+])C2([NH3+])CC2)ccc1F 259418017 573324750 /nfs/dbraw/zinc/32/47/50/573324750.db2.gz MPCWNVVFZJZGIO-SNVBAGLBSA-N 2 2 194.253 1.625 10 0 ADAELP Cc1[nH]c2c([nH+]1)[C@@H](C[NH3+])CCC2 74338777 573324792 /nfs/dbraw/zinc/32/47/92/573324792.db2.gz YTZXMQSXIZAAOW-SSDOTTSWSA-N 2 2 165.240 1.097 10 0 ADAELP [NH3+]CCc1[nH]cc(C2CCC2)[nH+]1 74339006 573324829 /nfs/dbraw/zinc/32/48/29/573324829.db2.gz WRZVNUVTBDCUKF-UHFFFAOYSA-N 2 2 165.240 1.178 10 0 ADAELP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCCC1 132625411 573324904 /nfs/dbraw/zinc/32/49/04/573324904.db2.gz CPIIHPCVCXDVHG-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[N@H+]1CCC[C@@H]1C[NH2+]CC1CCCC1 132625411 573324913 /nfs/dbraw/zinc/32/49/13/573324913.db2.gz CPIIHPCVCXDVHG-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)CC[N@@H+]1CC[NH2+]CC(C)(C)C1 106876280 573325012 /nfs/dbraw/zinc/32/50/12/573325012.db2.gz VTCXFGNLYPQJIL-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CC(C)CC[N@H+]1CC[NH2+]CC(C)(C)C1 106876280 573325018 /nfs/dbraw/zinc/32/50/18/573325018.db2.gz VTCXFGNLYPQJIL-UHFFFAOYSA-N 2 2 198.354 1.964 10 0 ADAELP CN(C)c1ccc(/C=C/CC[NH3+])c[nH+]1 308552808 573325154 /nfs/dbraw/zinc/32/51/54/573325154.db2.gz QVHZYXPWLUEYSE-HWKANZROSA-N 2 2 191.278 1.510 10 0 ADAELP CC1(C)C[NH2+]CC[N@@H+](C2CCCC2)C1 106873862 573325250 /nfs/dbraw/zinc/32/52/50/573325250.db2.gz QMVKDGODEMEDMA-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)C[NH2+]CC[N@H+](C2CCCC2)C1 106873862 573325252 /nfs/dbraw/zinc/32/52/52/573325252.db2.gz QMVKDGODEMEDMA-UHFFFAOYSA-N 2 2 196.338 1.860 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2CCCCO2)CCC[NH2+]1 258304100 573325277 /nfs/dbraw/zinc/32/52/77/573325277.db2.gz WOBJCOJBURQRBX-GHMZBOCLSA-N 2 2 198.310 1.197 10 0 ADAELP C[C@@H]1C[N@H+]([C@H]2CCCCO2)CCC[NH2+]1 258304100 573325281 /nfs/dbraw/zinc/32/52/81/573325281.db2.gz WOBJCOJBURQRBX-GHMZBOCLSA-N 2 2 198.310 1.197 10 0 ADAELP CC(C)[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 82953754 573325400 /nfs/dbraw/zinc/32/54/00/573325400.db2.gz QUAMXRBMTATBJE-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[N@H+]1CCC[NH2+][C@H](C2CC2)C1 82953754 573325413 /nfs/dbraw/zinc/32/54/13/573325413.db2.gz QUAMXRBMTATBJE-NSHDSACASA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[N@@H+]1C[C@@H]([NH3+])C[C@H]1c1ccco1 257787378 573325571 /nfs/dbraw/zinc/32/55/71/573325571.db2.gz VLXOCZNPENGINT-UWVGGRQHSA-N 2 2 194.278 1.762 10 0 ADAELP CC(C)[N@H+]1C[C@@H]([NH3+])C[C@H]1c1ccco1 257787378 573325580 /nfs/dbraw/zinc/32/55/80/573325580.db2.gz VLXOCZNPENGINT-UWVGGRQHSA-N 2 2 194.278 1.762 10 0 ADAELP Cc1[nH+]cc([C@H]([NH3+])C(C)C)n1C 74335128 573325624 /nfs/dbraw/zinc/32/56/24/573325624.db2.gz MIVUDFHMXVBKPI-SECBINFHSA-N 2 2 167.256 1.384 10 0 ADAELP CC[N@H+](CC1CCC1)[C@]1(C)CC[NH2+]C1 308859575 573325662 /nfs/dbraw/zinc/32/56/62/573325662.db2.gz YKANTAUIXSUGOU-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[N@@H+](CC1CCC1)[C@]1(C)CC[NH2+]C1 308859575 573325667 /nfs/dbraw/zinc/32/56/67/573325667.db2.gz YKANTAUIXSUGOU-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+][C@H](C)c1ccn2cc[nH+]c2c1 238343545 573325695 /nfs/dbraw/zinc/32/56/95/573325695.db2.gz NOPLVFMIJDVVIV-MRVPVSSYSA-N 2 2 175.235 1.615 10 0 ADAELP Cc1[nH]c2c([nH+]1)[C@H](C[NH3+])CCC2 74338780 573325738 /nfs/dbraw/zinc/32/57/38/573325738.db2.gz YTZXMQSXIZAAOW-ZETCQYMHSA-N 2 2 165.240 1.097 10 0 ADAELP CC(C)[NH2+]C[C@@H]([NH3+])c1cccc(F)c1 259418482 573325863 /nfs/dbraw/zinc/32/58/63/573325863.db2.gz OXZAZIOBPBXJTR-LLVKDONJSA-N 2 2 196.269 1.824 10 0 ADAELP C[N@H+](CCCC[NH3+])c1ccc(O)cc1 259417373 573325950 /nfs/dbraw/zinc/32/59/50/573325950.db2.gz JKCDWPHYTAJCIJ-UHFFFAOYSA-N 2 2 194.278 1.567 10 0 ADAELP C[N@@H+](CCCC[NH3+])c1ccc(O)cc1 259417373 573325953 /nfs/dbraw/zinc/32/59/53/573325953.db2.gz JKCDWPHYTAJCIJ-UHFFFAOYSA-N 2 2 194.278 1.567 10 0 ADAELP CC(C)[N@@H+]1C[C@H]([NH3+])C[C@H]1c1ccco1 257787379 573325966 /nfs/dbraw/zinc/32/59/66/573325966.db2.gz VLXOCZNPENGINT-ZJUUUORDSA-N 2 2 194.278 1.762 10 0 ADAELP CC(C)[N@H+]1C[C@H]([NH3+])C[C@H]1c1ccco1 257787379 573325970 /nfs/dbraw/zinc/32/59/70/573325970.db2.gz VLXOCZNPENGINT-ZJUUUORDSA-N 2 2 194.278 1.762 10 0 ADAELP CC(C)C[C@@H]([NH3+])c1c[nH+]cn1C 74335548 573325997 /nfs/dbraw/zinc/32/59/97/573325997.db2.gz MVYPMRCOXGFPJY-MRVPVSSYSA-N 2 2 167.256 1.466 10 0 ADAELP Cc1cc([C@H]([NH3+])C2([NH3+])CC2)ccc1F 259418016 573326195 /nfs/dbraw/zinc/32/61/95/573326195.db2.gz MPCWNVVFZJZGIO-JTQLQIEISA-N 2 2 194.253 1.625 10 0 ADAELP CC1([C@H]([NH3+])Cc2[nH]cc[nH+]2)CC1 74338747 573326263 /nfs/dbraw/zinc/32/62/63/573326263.db2.gz AXPOQZCTKWIYSF-SSDOTTSWSA-N 2 2 165.240 1.080 10 0 ADAELP CC(C)[NH2+]C[C@H]([NH3+])c1cccc(F)c1 259418484 573327031 /nfs/dbraw/zinc/32/70/31/573327031.db2.gz OXZAZIOBPBXJTR-NSHDSACASA-N 2 2 196.269 1.824 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@H]2CC[C@@H]2C)C1 308549675 573328535 /nfs/dbraw/zinc/32/85/35/573328535.db2.gz RDTIMPFYFKTZPI-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@H]2CC[C@@H]2C)C1 308549675 573328540 /nfs/dbraw/zinc/32/85/40/573328540.db2.gz RDTIMPFYFKTZPI-TUAOUCFPSA-N 2 2 196.338 1.859 10 0 ADAELP CC[NH+](CC)C(C)(C)[C@H](C)[NH3+] 74342082 573328566 /nfs/dbraw/zinc/32/85/66/573328566.db2.gz WIZKNHUIHHMYTP-QMMMGPOBSA-N 2 2 158.289 1.454 10 0 ADAELP CC(C)[NH2+]CC/C=C\c1cn(C)c[nH+]1 308549052 573328965 /nfs/dbraw/zinc/32/89/65/573328965.db2.gz PCQAUZSFAKAFCC-XQRVVYSFSA-N 2 2 193.294 1.821 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+](C2C(C)(C)C2(C)C)C1 86240406 573329150 /nfs/dbraw/zinc/32/91/50/573329150.db2.gz HPJIURDJRHVRSJ-SECBINFHSA-N 2 2 196.338 1.715 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+](C2C(C)(C)C2(C)C)C1 86240406 573329155 /nfs/dbraw/zinc/32/91/55/573329155.db2.gz HPJIURDJRHVRSJ-SECBINFHSA-N 2 2 196.338 1.715 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C)C1 308549674 573329630 /nfs/dbraw/zinc/32/96/30/573329630.db2.gz RDTIMPFYFKTZPI-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C)C1 308549674 573329638 /nfs/dbraw/zinc/32/96/38/573329638.db2.gz RDTIMPFYFKTZPI-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CCn1c[nH+]c(C(C)(C)C[C@@H](C)[NH3+])c1 308550401 573331262 /nfs/dbraw/zinc/33/12/62/573331262.db2.gz PSTRLTVMZCVKCI-SECBINFHSA-N 2 2 195.310 1.918 10 0 ADAELP CC[NH+](CC)C(C)(C)[C@@H](C)[NH3+] 74342080 573331325 /nfs/dbraw/zinc/33/13/25/573331325.db2.gz WIZKNHUIHHMYTP-MRVPVSSYSA-N 2 2 158.289 1.454 10 0 ADAELP CCC(CC)[C@H]([NH3+])c1c[nH+]cn1C 126085797 573331750 /nfs/dbraw/zinc/33/17/50/573331750.db2.gz JSHAMZDMPLCQAM-JTQLQIEISA-N 2 2 181.283 1.856 10 0 ADAELP CCOc1ccccc1[C@H](C[NH3+])[NH2+]C 50269821 573334712 /nfs/dbraw/zinc/33/47/12/573334712.db2.gz QLEYSCNWLUBILH-JTQLQIEISA-N 2 2 194.278 1.305 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1cccc(F)c1 50270129 573334802 /nfs/dbraw/zinc/33/48/02/573334802.db2.gz PQVCHVRIGDXEHE-SNVBAGLBSA-N 2 2 182.242 1.435 10 0 ADAELP [NH3+]CC1([NH+]2Cc3ccccc3C2)CC1 236175093 573337716 /nfs/dbraw/zinc/33/77/16/573337716.db2.gz VYYNMWCJSRMZJS-UHFFFAOYSA-N 2 2 188.274 1.494 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1cccc(C)c1 50270107 573337742 /nfs/dbraw/zinc/33/77/42/573337742.db2.gz DOSDVWLDJYWPAT-LLVKDONJSA-N 2 2 178.279 1.604 10 0 ADAELP [NH3+][C@H]1CCO[C@@H]1c1c[nH+]cn1C1CC1 86249497 573337755 /nfs/dbraw/zinc/33/77/55/573337755.db2.gz YQGOQOATBANEOF-WPRPVWTQSA-N 2 2 193.250 1.007 10 0 ADAELP [NH3+][C@H]1CCO[C@H]1c1c[nH+]cn1C1CC1 86249499 573337847 /nfs/dbraw/zinc/33/78/47/573337847.db2.gz YQGOQOATBANEOF-WCBMZHEXSA-N 2 2 193.250 1.007 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1ccccc1OC 50270130 573337899 /nfs/dbraw/zinc/33/78/99/573337899.db2.gz ROSRTHYQCDCAJX-JTQLQIEISA-N 2 2 194.278 1.305 10 0 ADAELP CC(C)C[C@H]([NH3+])Cc1cn(C)c[nH+]1 308349984 573337917 /nfs/dbraw/zinc/33/79/17/573337917.db2.gz XXGHXWGGPFXNMC-VIFPVBQESA-N 2 2 181.283 1.336 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1cccc(C)c1 50270106 573337949 /nfs/dbraw/zinc/33/79/49/573337949.db2.gz DOSDVWLDJYWPAT-NSHDSACASA-N 2 2 178.279 1.604 10 0 ADAELP C1CCC2(C1)C[NH2+]C1(CCCC1)C[NH2+]2 82960921 573337995 /nfs/dbraw/zinc/33/79/95/573337995.db2.gz PQSHLGHJAIKHGR-UHFFFAOYSA-N 2 2 194.322 1.805 10 0 ADAELP CC[C@]1(C)C[NH2+][C@](C)(CC)C[NH2+]1 82960899 573338160 /nfs/dbraw/zinc/33/81/60/573338160.db2.gz LIKXPJZFKLBWRP-NXEZZACHSA-N 2 2 170.300 1.517 10 0 ADAELP CCOc1cccc([C@@H](C[NH3+])[NH2+]C)c1 50270003 573338214 /nfs/dbraw/zinc/33/82/14/573338214.db2.gz CGRPDAHBRZHUIH-LLVKDONJSA-N 2 2 194.278 1.305 10 0 ADAELP [NH3+][C@@H]1CCO[C@H]1c1c[nH+]cn1C1CC1 86249495 573338316 /nfs/dbraw/zinc/33/83/16/573338316.db2.gz YQGOQOATBANEOF-PSASIEDQSA-N 2 2 193.250 1.007 10 0 ADAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[NH2+]1 82960702 573338319 /nfs/dbraw/zinc/33/83/19/573338319.db2.gz DNHSMDWDMFSNSZ-JTQLQIEISA-N 2 2 182.311 1.517 10 0 ADAELP CCCn1c[nH+]cc1[C@H]1OCC[C@@H]1[NH3+] 86249617 573338325 /nfs/dbraw/zinc/33/83/25/573338325.db2.gz RFBGJAWHSIYBQG-WPRPVWTQSA-N 2 2 195.266 1.082 10 0 ADAELP C[C@H]1CC[NH2+][C@@H](c2ccccc2)C[NH2+]1 82961012 573338394 /nfs/dbraw/zinc/33/83/94/573338394.db2.gz JPEXEVLLBQNYBJ-CMPLNLGQSA-N 2 2 190.290 1.699 10 0 ADAELP CC(C)[NH2+]CC[N@H+](C(C)C)C1CC1 132745584 573342077 /nfs/dbraw/zinc/34/20/77/573342077.db2.gz IHLLMVVTQVICHY-UHFFFAOYSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[NH2+]CC[N@@H+](C(C)C)C1CC1 132745584 573342081 /nfs/dbraw/zinc/34/20/81/573342081.db2.gz IHLLMVVTQVICHY-UHFFFAOYSA-N 2 2 184.327 1.857 10 0 ADAELP CCCCC[NH2+][C@@H]1CCC[N@H+](C)C1 40672549 573342107 /nfs/dbraw/zinc/34/21/07/573342107.db2.gz VYWRDIGIEFVWHG-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP CCCCC[NH2+][C@@H]1CCC[N@@H+](C)C1 40672549 573342112 /nfs/dbraw/zinc/34/21/12/573342112.db2.gz VYWRDIGIEFVWHG-LLVKDONJSA-N 2 2 184.327 1.860 10 0 ADAELP Cc1ccsc1[C@@H](C[NH3+])[NH2+]C1CC1 50271157 573342140 /nfs/dbraw/zinc/34/21/40/573342140.db2.gz IZXIEGYXFGFQPG-SECBINFHSA-N 2 2 196.319 1.808 10 0 ADAELP Cc1ccccc1[C@@H](C[NH3+])[NH2+]C1CC1 50271107 573342316 /nfs/dbraw/zinc/34/23/16/573342316.db2.gz WYHBZSUHJZGYNN-GFCCVEGCSA-N 2 2 190.290 1.747 10 0 ADAELP CCn1c[nH+]c(/C(C)=C/CC[NH2+]C)c1 308554145 573342319 /nfs/dbraw/zinc/34/23/19/573342319.db2.gz RJIXFKQJOZOKIB-UXBLZVDNSA-N 2 2 193.294 1.916 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1sccc1C 50270152 573342340 /nfs/dbraw/zinc/34/23/40/573342340.db2.gz DMKCFWOFVWGMFB-QMMMGPOBSA-N 2 2 184.308 1.666 10 0 ADAELP CCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 129572190 573342484 /nfs/dbraw/zinc/34/24/84/573342484.db2.gz NROUKWNLLKLEOS-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1ccco1 50270510 573342489 /nfs/dbraw/zinc/34/24/89/573342489.db2.gz AQPWVFOGDSVRNC-QMMMGPOBSA-N 2 2 168.240 1.279 10 0 ADAELP CCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 129572190 573342490 /nfs/dbraw/zinc/34/24/90/573342490.db2.gz NROUKWNLLKLEOS-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1ccsc1 50270807 573342560 /nfs/dbraw/zinc/34/25/60/573342560.db2.gz QUTVBQGKKYJGOK-SECBINFHSA-N 2 2 184.308 1.746 10 0 ADAELP CCC[NH2+]CCCc1cn(CC)c[nH+]1 308555875 573342581 /nfs/dbraw/zinc/34/25/81/573342581.db2.gz SFZWMBUBQSZMHP-UHFFFAOYSA-N 2 2 195.310 1.835 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1ccc(F)cc1 50271185 573342595 /nfs/dbraw/zinc/34/25/95/573342595.db2.gz ILJIIAIAYIJEPB-LLVKDONJSA-N 2 2 194.253 1.578 10 0 ADAELP CC[NH2+][C@H](C[NH3+])c1ccc(C)s1 50270299 573342654 /nfs/dbraw/zinc/34/26/54/573342654.db2.gz WPCIIYKCPRBKLO-MRVPVSSYSA-N 2 2 184.308 1.666 10 0 ADAELP Cc1ccc([C@H](C[NH3+])[NH2+]C2CC2)cc1 50271110 573342699 /nfs/dbraw/zinc/34/26/99/573342699.db2.gz KRSWDCOJUPENIC-LBPRGKRZSA-N 2 2 190.290 1.747 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1cccc(F)c1 50270462 573342717 /nfs/dbraw/zinc/34/27/17/573342717.db2.gz ZFUBKCUZWYMGSX-NSHDSACASA-N 2 2 196.269 1.825 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccsc1 50270806 573347164 /nfs/dbraw/zinc/34/71/64/573347164.db2.gz QUTVBQGKKYJGOK-VIFPVBQESA-N 2 2 184.308 1.746 10 0 ADAELP [NH3+]C[C@H]([NH2+]C1CC1)c1cccs1 50271176 573347198 /nfs/dbraw/zinc/34/71/98/573347198.db2.gz MMCJAZHLUQVHEP-QMMMGPOBSA-N 2 2 182.292 1.500 10 0 ADAELP CCC[NH2+][C@@H](C[NH3+])c1cccnc1 50270554 573347221 /nfs/dbraw/zinc/34/72/21/573347221.db2.gz BIYPRAGGLPCFBN-JTQLQIEISA-N 2 2 179.267 1.081 10 0 ADAELP CC(C)c1c[nH]c([C@@H](C)C[NH3+])[nH+]1 86276548 573347404 /nfs/dbraw/zinc/34/74/04/573347404.db2.gz IBPUFNJMRSLMCK-ZETCQYMHSA-N 2 2 167.256 1.595 10 0 ADAELP C[NH2+][C@H]1CC[N@@H+]([C@H](C)CC(F)F)C1 308359717 573347562 /nfs/dbraw/zinc/34/75/62/573347562.db2.gz CSVPVTNIKOQYBF-SFYZADRCSA-N 2 2 192.253 1.324 10 0 ADAELP C[NH2+][C@H]1CC[N@H+]([C@H](C)CC(F)F)C1 308359717 573347566 /nfs/dbraw/zinc/34/75/66/573347566.db2.gz CSVPVTNIKOQYBF-SFYZADRCSA-N 2 2 192.253 1.324 10 0 ADAELP Cn1c[nH+]c(CCC[NH2+]C(C)(C)C)c1 308557188 573347674 /nfs/dbraw/zinc/34/76/74/573347674.db2.gz TWDZHJIWYZNELL-UHFFFAOYSA-N 2 2 195.310 1.741 10 0 ADAELP C1=CCC([NH2+]CCCn2cc[nH+]c2)C1 132885184 573348067 /nfs/dbraw/zinc/34/80/67/573348067.db2.gz XBPABIRACNKZOS-UHFFFAOYSA-N 2 2 191.278 1.581 10 0 ADAELP CC(C)c1c[nH]c([C@H](C)C[NH3+])[nH+]1 86276549 573348135 /nfs/dbraw/zinc/34/81/35/573348135.db2.gz IBPUFNJMRSLMCK-SSDOTTSWSA-N 2 2 167.256 1.595 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CC(F)F)C1 308359707 573348138 /nfs/dbraw/zinc/34/81/38/573348138.db2.gz CSVPVTNIKOQYBF-HTQZYQBOSA-N 2 2 192.253 1.324 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CC(F)F)C1 308359707 573348143 /nfs/dbraw/zinc/34/81/43/573348143.db2.gz CSVPVTNIKOQYBF-HTQZYQBOSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+]([C@@H]2CCCCO2)C1 258292447 573348474 /nfs/dbraw/zinc/34/84/74/573348474.db2.gz VUILAOUKLCKURI-QWRGUYRKSA-N 2 2 198.310 1.054 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+]([C@@H]2CCCCO2)C1 258292447 573348480 /nfs/dbraw/zinc/34/84/80/573348480.db2.gz VUILAOUKLCKURI-QWRGUYRKSA-N 2 2 198.310 1.054 10 0 ADAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cn1 308557741 573348608 /nfs/dbraw/zinc/34/86/08/573348608.db2.gz VCFWYHBUPWZAKS-NXEZZACHSA-N 2 2 193.294 1.215 10 0 ADAELP CCC[C@H]([NH3+])C[NH2+]Cc1occc1C 308561950 573357384 /nfs/dbraw/zinc/35/73/84/573357384.db2.gz FTQMRBWATZQHDS-JTQLQIEISA-N 2 2 196.294 1.805 10 0 ADAELP CC(C)[NH2+][C@@H](C)[C@@H](C)c1cn(C)c[nH+]1 308561511 573357512 /nfs/dbraw/zinc/35/75/12/573357512.db2.gz WGEASJMKMKAOCQ-ZJUUUORDSA-N 2 2 195.310 1.910 10 0 ADAELP CC(C)(C)[NH2+]CC[NH2+]CCC(F)F 308367342 573357672 /nfs/dbraw/zinc/35/76/72/573357672.db2.gz IJNQNIRCLUNBPO-UHFFFAOYSA-N 2 2 194.269 1.619 10 0 ADAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)C 132847389 573357721 /nfs/dbraw/zinc/35/77/21/573357721.db2.gz UOJSPWWWXYGBNU-QMMMGPOBSA-N 2 2 181.283 1.934 10 0 ADAELP CCC[C@@H]([NH3+])C[NH2+]Cc1occc1C 308561951 573357765 /nfs/dbraw/zinc/35/77/65/573357765.db2.gz FTQMRBWATZQHDS-SNVBAGLBSA-N 2 2 196.294 1.805 10 0 ADAELP Cn1c[nH+]c(CCCC[NH2+]C2CC2)c1 308563197 573361540 /nfs/dbraw/zinc/36/15/40/573361540.db2.gz GKWUDLRUSVHFBO-UHFFFAOYSA-N 2 2 193.294 1.495 10 0 ADAELP C[NH2+]CC1([C@@H]([NH3+])c2ccc(C)o2)CC1 259427622 573361624 /nfs/dbraw/zinc/36/16/24/573361624.db2.gz NAJWSIBFNSPMPR-JTQLQIEISA-N 2 2 194.278 1.587 10 0 ADAELP C[C@@H](C[NH3+])[C@H](C)n1cc[nH+]c1 86312962 573361730 /nfs/dbraw/zinc/36/17/30/573361730.db2.gz SEWAMBOXDWCKMV-YUMQZZPRSA-N 2 2 153.229 1.039 10 0 ADAELP C[NH2+][C@@H](c1c[nH+]c(C)n1C)[C@H](C)OC 308562835 573362033 /nfs/dbraw/zinc/36/20/33/573362033.db2.gz XBPAIEGQICYSDG-OIBJUYFYSA-N 2 2 197.282 1.024 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C[NH2+]CCF)cc1 308562798 573362239 /nfs/dbraw/zinc/36/22/39/573362239.db2.gz WZJHBKIEZNTYGT-NSHDSACASA-N 2 2 196.269 1.554 10 0 ADAELP Cc1ccoc1C[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 308564332 573366098 /nfs/dbraw/zinc/36/60/98/573366098.db2.gz HAMNHBDSFYKCBQ-NXEZZACHSA-N 2 2 196.294 1.756 10 0 ADAELP Cc1ccoc1C[N@H+](C)[C@H](C)[C@@H](C)[NH3+] 308564332 573366105 /nfs/dbraw/zinc/36/61/05/573366105.db2.gz HAMNHBDSFYKCBQ-NXEZZACHSA-N 2 2 196.294 1.756 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cc(Cl)cs1 86333250 573366444 /nfs/dbraw/zinc/36/64/44/573366444.db2.gz AYPUQFGFGPRJHD-YFKPBYRVSA-N 2 2 176.672 1.360 10 0 ADAELP [NH3+][C@@H]1CC[N@@H+]2Cc3ccccc3[C@H]12 107124923 573366493 /nfs/dbraw/zinc/36/64/93/573366493.db2.gz RISYMGLOWPSOOZ-GHMZBOCLSA-N 2 2 174.247 1.274 10 0 ADAELP [NH3+][C@@H]1CC[N@H+]2Cc3ccccc3[C@H]12 107124923 573366500 /nfs/dbraw/zinc/36/65/00/573366500.db2.gz RISYMGLOWPSOOZ-GHMZBOCLSA-N 2 2 174.247 1.274 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@@H+](C2CC=CC2)C1 133102610 573366621 /nfs/dbraw/zinc/36/66/21/573366621.db2.gz AFPABXLBRQQPIV-LLVKDONJSA-N 2 2 194.322 1.779 10 0 ADAELP CCC[NH2+][C@@H]1CC[N@H+](C2CC=CC2)C1 133102610 573366623 /nfs/dbraw/zinc/36/66/23/573366623.db2.gz AFPABXLBRQQPIV-LLVKDONJSA-N 2 2 194.322 1.779 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CC1)c1ccc(F)cc1 258326790 573370746 /nfs/dbraw/zinc/37/07/46/573370746.db2.gz PPPNHRFYULWGDJ-NSHDSACASA-N 2 2 194.253 1.578 10 0 ADAELP [NH3+]C[C@]1(c2ccccc2Cl)CC[NH2+]1 258320540 573371186 /nfs/dbraw/zinc/37/11/86/573371186.db2.gz UHKBGXAPKXDPOZ-JTQLQIEISA-N 2 2 196.681 1.487 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1cccc(OC)c1 259429590 573371375 /nfs/dbraw/zinc/37/13/75/573371375.db2.gz PJQSNFCLQJMQMX-LLVKDONJSA-N 2 2 194.278 1.305 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1(C)C 259430611 573378885 /nfs/dbraw/zinc/37/88/85/573378885.db2.gz NXVFQPLOPZINAX-SECBINFHSA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1(C)C 259430611 573378890 /nfs/dbraw/zinc/37/88/90/573378890.db2.gz NXVFQPLOPZINAX-SECBINFHSA-N 2 2 184.327 1.857 10 0 ADAELP COc1cc(NCCCC[NH3+])cc[nH+]1 133156309 573379122 /nfs/dbraw/zinc/37/91/22/573379122.db2.gz RFORUXKHPRIWAY-UHFFFAOYSA-N 2 2 195.266 1.241 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CC2)[C@@H]1C 308565765 573379556 /nfs/dbraw/zinc/37/95/56/573379556.db2.gz HPQJCIZQQXGEPI-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CC2)[C@@H]1C 308565765 573379560 /nfs/dbraw/zinc/37/95/60/573379560.db2.gz HPQJCIZQQXGEPI-CKYFFXLPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CC[N@H+](C)C2CC2)C[C@H]1C 308565770 573379576 /nfs/dbraw/zinc/37/95/76/573379576.db2.gz HPQJCIZQQXGEPI-SCVCMEIPSA-N 2 2 196.338 1.715 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]CC[N@@H+](C)C2CC2)C[C@H]1C 308565770 573379582 /nfs/dbraw/zinc/37/95/82/573379582.db2.gz HPQJCIZQQXGEPI-SCVCMEIPSA-N 2 2 196.338 1.715 10 0 ADAELP CCCc1c[nH]c(C2C[NH2+]C2)[nH+]1 259093120 573379594 /nfs/dbraw/zinc/37/95/94/573379594.db2.gz NCALBOVYHGOIBG-UHFFFAOYSA-N 2 2 165.240 1.049 10 0 ADAELP FC(F)CC[NH2+]CC[NH+]1CCCC1 308371324 573380253 /nfs/dbraw/zinc/38/02/53/573380253.db2.gz KZLJKAKCSPSSQL-UHFFFAOYSA-N 2 2 192.253 1.327 10 0 ADAELP CC[C@@H](C1CC1)[N@@H+]1CCC[C@H]([NH3+])C1 83057926 573383849 /nfs/dbraw/zinc/38/38/49/573383849.db2.gz HKWMCUOINIRLQS-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@H](C1CC1)[N@H+]1CCC[C@H]([NH3+])C1 83057926 573383853 /nfs/dbraw/zinc/38/38/53/573383853.db2.gz HKWMCUOINIRLQS-QWRGUYRKSA-N 2 2 182.311 1.598 10 0 ADAELP [NH3+]C[C@@H]1CCC[C@@H]1OCc1[nH]cc[nH+]1 308567135 573384172 /nfs/dbraw/zinc/38/41/72/573384172.db2.gz IGLJWFBREKVRFL-IUCAKERBSA-N 2 2 195.266 1.054 10 0 ADAELP [NH3+]C[C@H]1CCC[C@H]1OCc1[nH]cc[nH+]1 308567136 573385969 /nfs/dbraw/zinc/38/59/69/573385969.db2.gz IGLJWFBREKVRFL-RKDXNWHRSA-N 2 2 195.266 1.054 10 0 ADAELP CCc1[nH+]cc2n1CCC[C@@H]2[NH3+] 107160796 573388952 /nfs/dbraw/zinc/38/89/52/573388952.db2.gz TWCHGSMSFZNCSR-ZETCQYMHSA-N 2 2 165.240 1.239 10 0 ADAELP CC[C@@H]([NH3+])CNc1cc[nH+]c(OC)c1 133241586 573389010 /nfs/dbraw/zinc/38/90/10/573389010.db2.gz LRNSLQOAUCHCLO-MRVPVSSYSA-N 2 2 195.266 1.239 10 0 ADAELP Cc1[nH+]c(C)n2c1[C@@H]([NH3+])CCC2 107160803 573388697 /nfs/dbraw/zinc/38/86/97/573388697.db2.gz KLRCMPZFAYIHHQ-QMMMGPOBSA-N 2 2 165.240 1.294 10 0 ADAELP C[C@H]1C[N@H+]([C@@H](C)C2CC2)CCC[NH2+]1 83092040 573396327 /nfs/dbraw/zinc/39/63/27/573396327.db2.gz GINAESPNDZLUGK-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[N@@H+]([C@@H](C)C2CC2)CCC[NH2+]1 83092040 573396330 /nfs/dbraw/zinc/39/63/30/573396330.db2.gz GINAESPNDZLUGK-UWVGGRQHSA-N 2 2 182.311 1.469 10 0 ADAELP CC1(C)C[N@H+]([C@H]2CC2(C)C)CCC[NH2+]1 83092855 573396733 /nfs/dbraw/zinc/39/67/33/573396733.db2.gz NLMRQQIHLVRXKA-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP CC1(C)C[N@@H+]([C@H]2CC2(C)C)CCC[NH2+]1 83092855 573396738 /nfs/dbraw/zinc/39/67/38/573396738.db2.gz NLMRQQIHLVRXKA-JTQLQIEISA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]1C[C@H]1[N@@H+]1CCC[NH2+]C(C)(C)C1 83093084 573396763 /nfs/dbraw/zinc/39/67/63/573396763.db2.gz OYBCSTYDDYVGFC-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[C@H]1[N@H+]1CCC[NH2+]C(C)(C)C1 83093084 573396766 /nfs/dbraw/zinc/39/67/66/573396766.db2.gz OYBCSTYDDYVGFC-VHSXEESVSA-N 2 2 182.311 1.469 10 0 ADAELP COc1cc(NC[C@@H](C)C[NH3+])cc[nH+]1 133304707 573396801 /nfs/dbraw/zinc/39/68/01/573396801.db2.gz IYGQMBBBCFDGIP-QMMMGPOBSA-N 2 2 195.266 1.097 10 0 ADAELP CCC(C)(C)[N@@H+]1CCC[NH2+][C@H](C)C1 83091652 573396815 /nfs/dbraw/zinc/39/68/15/573396815.db2.gz CYORDOFTYCGVIA-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC(C)(C)[N@H+]1CCC[NH2+][C@H](C)C1 83091652 573396818 /nfs/dbraw/zinc/39/68/18/573396818.db2.gz CYORDOFTYCGVIA-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])[C@]1(C)c1ccccc1 107175819 573396853 /nfs/dbraw/zinc/39/68/53/573396853.db2.gz BEVUYPPGWXOZMO-NEPJUHHUSA-N 2 2 190.290 1.565 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])[C@]1(C)c1ccccc1 107175819 573396858 /nfs/dbraw/zinc/39/68/58/573396858.db2.gz BEVUYPPGWXOZMO-NEPJUHHUSA-N 2 2 190.290 1.565 10 0 ADAELP C[C@@H]1C[N@@H+](C(C)(C)C)CCCC[NH2+]1 259438183 573396879 /nfs/dbraw/zinc/39/68/79/573396879.db2.gz OJHXYECQBASMCZ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[C@@H]1C[N@H+](C(C)(C)C)CCCC[NH2+]1 259438183 573396882 /nfs/dbraw/zinc/39/68/82/573396882.db2.gz OJHXYECQBASMCZ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 83091379 573396918 /nfs/dbraw/zinc/39/69/18/573396918.db2.gz NCIJGRUPKIFOSU-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@H](C)[N@H+]1CCC[NH2+][C@H](C)C1 83091379 573396922 /nfs/dbraw/zinc/39/69/22/573396922.db2.gz NCIJGRUPKIFOSU-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C1CC([N@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 83093061 573397011 /nfs/dbraw/zinc/39/70/11/573397011.db2.gz LMPFUUBGINGUGR-LBPRGKRZSA-N 2 2 194.322 1.613 10 0 ADAELP C1CC([N@@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 83093061 573397018 /nfs/dbraw/zinc/39/70/18/573397018.db2.gz LMPFUUBGINGUGR-LBPRGKRZSA-N 2 2 194.322 1.613 10 0 ADAELP CC1(C)C[N@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092859 573398631 /nfs/dbraw/zinc/39/86/31/573398631.db2.gz NLMRQQIHLVRXKA-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP CC1(C)C[N@@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092859 573398634 /nfs/dbraw/zinc/39/86/34/573398634.db2.gz NLMRQQIHLVRXKA-SNVBAGLBSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[N@@H+]([C@@H](C)C2CC2)CCC[NH2+]1 83092030 573398171 /nfs/dbraw/zinc/39/81/71/573398171.db2.gz BKSGZKGAMCHBAB-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[N@H+]([C@@H](C)C2CC2)CCC[NH2+]1 83092030 573398175 /nfs/dbraw/zinc/39/81/75/573398175.db2.gz BKSGZKGAMCHBAB-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 83091274 573398209 /nfs/dbraw/zinc/39/82/09/573398209.db2.gz IIBQKVLOWBGSAZ-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 83091274 573398214 /nfs/dbraw/zinc/39/82/14/573398214.db2.gz IIBQKVLOWBGSAZ-LLVKDONJSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@H+](CC2CCC2)CCC[NH2+]1 83091936 573398257 /nfs/dbraw/zinc/39/82/57/573398257.db2.gz NSNPGFSGXMMLJU-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1C[N@@H+](CC2CCC2)CCC[NH2+]1 83091936 573398261 /nfs/dbraw/zinc/39/82/61/573398261.db2.gz NSNPGFSGXMMLJU-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[NH2+][C@H](c1cccs1)[C@@H](C)[NH3+] 259437155 573398270 /nfs/dbraw/zinc/39/82/70/573398270.db2.gz NMGZIDGRJUIHJY-SVRRBLITSA-N 2 2 170.281 1.356 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 83091273 573398313 /nfs/dbraw/zinc/39/83/13/573398313.db2.gz IIBQKVLOWBGSAZ-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)(C)[N@H+]1CCC[NH2+][C@H](C2CC2)C1 83091273 573398321 /nfs/dbraw/zinc/39/83/21/573398321.db2.gz IIBQKVLOWBGSAZ-NSHDSACASA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[C@@H]([NH2+]CCc2[nH]cc[nH+]2)[C@@H]1C 308571260 573398355 /nfs/dbraw/zinc/39/83/55/573398355.db2.gz KJNWEIRDUXQUPK-OPRDCNLKSA-N 2 2 193.294 1.586 10 0 ADAELP C[C@@H]1C[N@H+]([C@H]2CCC[C@H]2C)CCC[NH2+]1 83093279 573398360 /nfs/dbraw/zinc/39/83/60/573398360.db2.gz ZBQIAJDFHUROPV-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@@H+]([C@H]2CCC[C@H]2C)CCC[NH2+]1 83093279 573398367 /nfs/dbraw/zinc/39/83/67/573398367.db2.gz ZBQIAJDFHUROPV-UTUOFQBUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2C)CCC[NH2+]1 83093283 573398381 /nfs/dbraw/zinc/39/83/81/573398381.db2.gz ZBQIAJDFHUROPV-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2C)CCC[NH2+]1 83093283 573398387 /nfs/dbraw/zinc/39/83/87/573398387.db2.gz ZBQIAJDFHUROPV-IJLUTSLNSA-N 2 2 196.338 1.859 10 0 ADAELP C[N@@H+]1CC[C@@H]([NH3+])[C@@]1(C)c1ccccc1 107175823 573398503 /nfs/dbraw/zinc/39/85/03/573398503.db2.gz BEVUYPPGWXOZMO-VXGBXAGGSA-N 2 2 190.290 1.565 10 0 ADAELP C[N@H+]1CC[C@@H]([NH3+])[C@@]1(C)c1ccccc1 107175823 573398510 /nfs/dbraw/zinc/39/85/10/573398510.db2.gz BEVUYPPGWXOZMO-VXGBXAGGSA-N 2 2 190.290 1.565 10 0 ADAELP CC[C@H](C)[N@@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 86394706 573398717 /nfs/dbraw/zinc/39/87/17/573398717.db2.gz COXGXXRZIDCPBH-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[N@H+]1C[C@H](C)[NH2+]CC[C@@H]1C 86394706 573398726 /nfs/dbraw/zinc/39/87/26/573398726.db2.gz COXGXXRZIDCPBH-DCAQKATOSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 83091864 573399216 /nfs/dbraw/zinc/39/92/16/573399216.db2.gz AOPNOAJPZDBRJT-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC(C)[C@H](C)[N@H+]1CCC[NH2+][C@H](C)C1 83091864 573399219 /nfs/dbraw/zinc/39/92/19/573399219.db2.gz AOPNOAJPZDBRJT-MNOVXSKESA-N 2 2 184.327 1.715 10 0 ADAELP CC[C@@H]1C[N@@H+](C(C)(C)C)CCC[NH2+]1 83091251 573399239 /nfs/dbraw/zinc/39/92/39/573399239.db2.gz SEIANBMOKNFVQJ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1C[N@H+](C(C)(C)C)CCC[NH2+]1 83091251 573399244 /nfs/dbraw/zinc/39/92/44/573399244.db2.gz SEIANBMOKNFVQJ-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@@H]1C[N@@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092874 573399267 /nfs/dbraw/zinc/39/92/67/573399267.db2.gz LISIRCBSYOYTMT-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@@H]1C[N@H+]([C@@H]2CC2(C)C)CCC[NH2+]1 83092874 573399270 /nfs/dbraw/zinc/39/92/70/573399270.db2.gz LISIRCBSYOYTMT-GHMZBOCLSA-N 2 2 196.338 1.859 10 0 ADAELP COc1cc(NC[C@H](C)C[NH3+])cc[nH+]1 133304892 573399275 /nfs/dbraw/zinc/39/92/75/573399275.db2.gz IYGQMBBBCFDGIP-MRVPVSSYSA-N 2 2 195.266 1.097 10 0 ADAELP CCC[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C)C1 83091378 573399416 /nfs/dbraw/zinc/39/94/16/573399416.db2.gz NCIJGRUPKIFOSU-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[C@@H](C)[N@H+]1CCC[NH2+][C@H](C)C1 83091378 573399424 /nfs/dbraw/zinc/39/94/24/573399424.db2.gz NCIJGRUPKIFOSU-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@]1(C)C[N@@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093126 573399508 /nfs/dbraw/zinc/39/95/08/573399508.db2.gz WHZHXTLCTCALMO-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP CC[C@]1(C)C[N@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093126 573399519 /nfs/dbraw/zinc/39/95/19/573399519.db2.gz WHZHXTLCTCALMO-QJPTWQEYSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1cc[nH+]cc1N[C@H]1CC[C@@H]([NH3+])C1 86400577 573406424 /nfs/dbraw/zinc/40/64/24/573406424.db2.gz DKDGOEDTIOWFDX-ZJUUUORDSA-N 2 2 191.278 1.682 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H]1CC[C@H]([NH3+])C1 86400572 573406841 /nfs/dbraw/zinc/40/68/41/573406841.db2.gz DKDGOEDTIOWFDX-VHSXEESVSA-N 2 2 191.278 1.682 10 0 ADAELP c1ccc(-c2c[nH+]cn2C2C[NH2+]C2)cc1 133557180 573406890 /nfs/dbraw/zinc/40/68/90/573406890.db2.gz LUGMPEKEWKACGM-UHFFFAOYSA-N 2 2 199.257 1.694 10 0 ADAELP Cc1c[nH+]ccc1C[C@H]1CCC[NH2+]C1 259096995 573412695 /nfs/dbraw/zinc/41/26/95/573412695.db2.gz DPBHEJVFHPEQTE-LLVKDONJSA-N 2 2 190.290 1.932 10 0 ADAELP Cc1[nH+]cccc1N[C@H]1CC[C@H]([NH3+])C1 86401355 573413093 /nfs/dbraw/zinc/41/30/93/573413093.db2.gz TXTQIGHEFYQFLU-UWVGGRQHSA-N 2 2 191.278 1.682 10 0 ADAELP [NH3+][C@H]1CCC[C@H](Oc2cc[nH+]cc2)C1 86408787 573416830 /nfs/dbraw/zinc/41/68/30/573416830.db2.gz SHAHEOYRZKPQPA-ONGXEEELSA-N 2 2 192.262 1.730 10 0 ADAELP Cc1cccc([C@@]2(C[NH3+])CC[NH2+]2)c1 258334861 573419501 /nfs/dbraw/zinc/41/95/01/573419501.db2.gz VBWIADOCWRTPEA-NSHDSACASA-N 2 2 176.263 1.142 10 0 ADAELP Cc1ccccc1[C@@H]([NH3+])C[NH2+]C1CC1 258338385 573419513 /nfs/dbraw/zinc/41/95/13/573419513.db2.gz ZARRMQILUTXRBH-LBPRGKRZSA-N 2 2 190.290 1.747 10 0 ADAELP Cc1ccccc1[C@H]([NH3+])C[NH2+]C1CC1 258338384 573419830 /nfs/dbraw/zinc/41/98/30/573419830.db2.gz ZARRMQILUTXRBH-GFCCVEGCSA-N 2 2 190.290 1.747 10 0 ADAELP [NH3+][C@@H]1CCC[C@H](Oc2cc[nH+]cc2)C1 86408790 573419853 /nfs/dbraw/zinc/41/98/53/573419853.db2.gz SHAHEOYRZKPQPA-KOLCDFICSA-N 2 2 192.262 1.730 10 0 ADAELP CC(C)n1cc(C[NH2+]C2CC2)[nH+]c1N 258334542 573420817 /nfs/dbraw/zinc/42/08/17/573420817.db2.gz XJJUDYOESPFEKL-UHFFFAOYSA-N 2 2 194.282 1.298 10 0 ADAELP C[NH+](C)C[C@H]1C[NH2+]Cc2ccccc21 83141903 573424018 /nfs/dbraw/zinc/42/40/18/573424018.db2.gz LDRDDIWVLGOPKF-LLVKDONJSA-N 2 2 190.290 1.435 10 0 ADAELP C[C@@H](C1CCC1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 124326998 573424138 /nfs/dbraw/zinc/42/41/38/573424138.db2.gz WVAHPBULOYXXAT-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H](C1CCC1)[N@H+]1CC[NH2+]C[C@@H](C)C1 124326998 573424146 /nfs/dbraw/zinc/42/41/46/573424146.db2.gz WVAHPBULOYXXAT-MNOVXSKESA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+]CCc1[nH]cc([C@@H]2CCSC2)[nH+]1 258025303 573424274 /nfs/dbraw/zinc/42/42/74/573424274.db2.gz IGYZFXNEPZFIMA-SSDOTTSWSA-N 2 2 197.307 1.131 10 0 ADAELP [NH3+]Cc1c[nH+]c(C2CCC2)[nH]1 83136735 573424366 /nfs/dbraw/zinc/42/43/66/573424366.db2.gz VMJJLBFVDAHLEP-UHFFFAOYSA-N 2 2 151.213 1.136 10 0 ADAELP CCC(CC)c1c[nH+]cn1C1C[NH2+]C1 133643064 573424647 /nfs/dbraw/zinc/42/46/47/573424647.db2.gz MEBGKJOWKSFXMN-UHFFFAOYSA-N 2 2 193.294 1.931 10 0 ADAELP C[NH+](C)C[C@@H]1C[NH2+]Cc2ccccc21 83141901 573424649 /nfs/dbraw/zinc/42/46/49/573424649.db2.gz LDRDDIWVLGOPKF-NSHDSACASA-N 2 2 190.290 1.435 10 0 ADAELP CCc1[nH]cc(C[C@H]2CCCC[NH2+]2)[nH+]1 257811560 573424754 /nfs/dbraw/zinc/42/47/54/573424754.db2.gz BGDXIPSSKKPNFH-SECBINFHSA-N 2 2 193.294 1.657 10 0 ADAELP CCc1[nH]c(C[C@H]2CCCC[NH2+]2)c[nH+]1 257811560 573424760 /nfs/dbraw/zinc/42/47/60/573424760.db2.gz BGDXIPSSKKPNFH-SECBINFHSA-N 2 2 193.294 1.657 10 0 ADAELP C[C@@]1(C[NH3+])CCC[C@@H]2CCCC[N@@H+]21 257811430 573425307 /nfs/dbraw/zinc/42/53/07/573425307.db2.gz BAZDHAFKYDJLGO-QWRGUYRKSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@@]1(C[NH3+])CCC[C@@H]2CCCC[N@H+]21 257811430 573425310 /nfs/dbraw/zinc/42/53/10/573425310.db2.gz BAZDHAFKYDJLGO-QWRGUYRKSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@]1(C[NH3+])CCC[C@@H]2CCCC[N@@H+]21 257811431 573427191 /nfs/dbraw/zinc/42/71/91/573427191.db2.gz BAZDHAFKYDJLGO-WDEREUQCSA-N 2 2 182.311 1.742 10 0 ADAELP C[C@]1(C[NH3+])CCC[C@@H]2CCCC[N@H+]21 257811431 573427198 /nfs/dbraw/zinc/42/71/98/573427198.db2.gz BAZDHAFKYDJLGO-WDEREUQCSA-N 2 2 182.311 1.742 10 0 ADAELP Cc1ccsc1[C@H]([NH3+])C(C)(C)[NH3+] 259447705 573427283 /nfs/dbraw/zinc/42/72/83/573427283.db2.gz QHEQJGDCYIAQOI-QMMMGPOBSA-N 2 2 184.308 1.794 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(SC)cc1 259447718 573430736 /nfs/dbraw/zinc/43/07/36/573430736.db2.gz QHIXDLMOROARFU-JTQLQIEISA-N 2 2 196.319 1.628 10 0 ADAELP C=COCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C1 126195021 573430759 /nfs/dbraw/zinc/43/07/59/573430759.db2.gz DGSYSWFZGADTPL-MNOVXSKESA-N 2 2 198.310 1.219 10 0 ADAELP C=COCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C1 126195021 573430764 /nfs/dbraw/zinc/43/07/64/573430764.db2.gz DGSYSWFZGADTPL-MNOVXSKESA-N 2 2 198.310 1.219 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+](C(C)C)C1(C)C 259446780 573431069 /nfs/dbraw/zinc/43/10/69/573431069.db2.gz OYSQGVFDTFGNEU-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+](C(C)C)C1(C)C 259446780 573431077 /nfs/dbraw/zinc/43/10/77/573431077.db2.gz OYSQGVFDTFGNEU-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(SC)cc1 259447721 573431329 /nfs/dbraw/zinc/43/13/29/573431329.db2.gz QHIXDLMOROARFU-SNVBAGLBSA-N 2 2 196.319 1.628 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C2CC2)CCC[N@@H+]1C 107223995 573434461 /nfs/dbraw/zinc/43/44/61/573434461.db2.gz RECGCTUDYWKGRL-SCZZXKLOSA-N 2 2 168.284 1.221 10 0 ADAELP C[C@@H]1[C@@H]([NH2+]C2CC2)CCC[N@H+]1C 107223995 573434464 /nfs/dbraw/zinc/43/44/64/573434464.db2.gz RECGCTUDYWKGRL-SCZZXKLOSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@H]1[C@@H]([NH2+]C2CC2)CC[N@@H+]1C 107223984 573434561 /nfs/dbraw/zinc/43/45/61/573434561.db2.gz JKVUFHCZTXEKAK-UWVGGRQHSA-N 2 2 168.284 1.221 10 0 ADAELP CC[C@H]1[C@@H]([NH2+]C2CC2)CC[N@H+]1C 107223984 573434563 /nfs/dbraw/zinc/43/45/63/573434563.db2.gz JKVUFHCZTXEKAK-UWVGGRQHSA-N 2 2 168.284 1.221 10 0 ADAELP Cc1cnc([C@H](C)[NH2+]C[C@H](C)[NH3+])s1 126257716 573446347 /nfs/dbraw/zinc/44/63/47/573446347.db2.gz BBILTZGDGYLJJW-XPUUQOCRSA-N 2 2 199.323 1.449 10 0 ADAELP CC(C)[N@H+](C)CC[NH2+]C[C@@]1(C)C[C@@H]1C 714698248 573446533 /nfs/dbraw/zinc/44/65/33/573446533.db2.gz LIXSTAJXAFIZRW-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[N@@H+](C)CC[NH2+]C[C@@]1(C)C[C@@H]1C 714698248 573446537 /nfs/dbraw/zinc/44/65/37/573446537.db2.gz LIXSTAJXAFIZRW-NWDGAFQWSA-N 2 2 198.354 1.962 10 0 ADAELP c1[nH]c(C2C[NH2+]C2)[nH+]c1C1CCCC1 257811274 573446688 /nfs/dbraw/zinc/44/66/88/573446688.db2.gz BBMNUZIEDWMDJI-UHFFFAOYSA-N 2 2 191.278 1.754 10 0 ADAELP [NH3+][C@@H](c1cc[nH]c1)[C@@H]1CCCC[NH2+]1 259456938 573457200 /nfs/dbraw/zinc/45/72/00/573457200.db2.gz QTNNYJYJFLDBNV-UWVGGRQHSA-N 2 2 179.267 1.157 10 0 ADAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1ccc(O)cc1 257815951 573468457 /nfs/dbraw/zinc/46/84/57/573468457.db2.gz DDQHYWQLIKGWED-LLVKDONJSA-N 2 2 192.262 1.144 10 0 ADAELP NC(=[NH2+])C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687954168 573469090 /nfs/dbraw/zinc/46/90/90/573469090.db2.gz CHIWQYSOTVKNAA-IUCAKERBSA-N 2 2 181.283 1.187 10 0 ADAELP NC(=[NH2+])C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687954168 573469099 /nfs/dbraw/zinc/46/90/99/573469099.db2.gz CHIWQYSOTVKNAA-IUCAKERBSA-N 2 2 181.283 1.187 10 0 ADAELP NC(=[NH2+])C[N@@H+]1C[C@H]2CCCCC[C@H]21 687954170 573469145 /nfs/dbraw/zinc/46/91/45/573469145.db2.gz CHIWQYSOTVKNAA-RKDXNWHRSA-N 2 2 181.283 1.187 10 0 ADAELP NC(=[NH2+])C[N@H+]1C[C@H]2CCCCC[C@H]21 687954170 573469151 /nfs/dbraw/zinc/46/91/51/573469151.db2.gz CHIWQYSOTVKNAA-RKDXNWHRSA-N 2 2 181.283 1.187 10 0 ADAELP C[N@@H+]1C[C@H]([NH3+])C[C@@H]1c1ccccc1 107275025 573469324 /nfs/dbraw/zinc/46/93/24/573469324.db2.gz YUTQETCEWRLEJT-GHMZBOCLSA-N 2 2 176.263 1.391 10 0 ADAELP C[N@H+]1C[C@H]([NH3+])C[C@@H]1c1ccccc1 107275025 573469330 /nfs/dbraw/zinc/46/93/30/573469330.db2.gz YUTQETCEWRLEJT-GHMZBOCLSA-N 2 2 176.263 1.391 10 0 ADAELP C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1c1ccccc1 107275029 573469383 /nfs/dbraw/zinc/46/93/83/573469383.db2.gz YUTQETCEWRLEJT-WDEREUQCSA-N 2 2 176.263 1.391 10 0 ADAELP C[N@H+]1C[C@@H]([NH3+])C[C@@H]1c1ccccc1 107275029 573469387 /nfs/dbraw/zinc/46/93/87/573469387.db2.gz YUTQETCEWRLEJT-WDEREUQCSA-N 2 2 176.263 1.391 10 0 ADAELP C[N@@H+]1C[C@H]([NH3+])C[C@@H]1Cc1ccccc1 107274446 573469694 /nfs/dbraw/zinc/46/96/94/573469694.db2.gz GYZSOCOFEQEQIE-NEPJUHHUSA-N 2 2 190.290 1.261 10 0 ADAELP C[N@H+]1C[C@H]([NH3+])C[C@@H]1Cc1ccccc1 107274446 573469703 /nfs/dbraw/zinc/46/97/03/573469703.db2.gz GYZSOCOFEQEQIE-NEPJUHHUSA-N 2 2 190.290 1.261 10 0 ADAELP C[NH2+]CC[N@H+](C)CCc1ccc(C)o1 258663966 573469834 /nfs/dbraw/zinc/46/98/34/573469834.db2.gz BYTKPZWSASRZGZ-UHFFFAOYSA-N 2 2 196.294 1.282 10 0 ADAELP C[NH2+]CC[N@@H+](C)CCc1ccc(C)o1 258663966 573469839 /nfs/dbraw/zinc/46/98/39/573469839.db2.gz BYTKPZWSASRZGZ-UHFFFAOYSA-N 2 2 196.294 1.282 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CC1 130093714 573469987 /nfs/dbraw/zinc/46/99/87/573469987.db2.gz TWJFYFGGHXGUPK-RKDXNWHRSA-N 2 2 170.300 1.325 10 0 ADAELP C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1(C)CC1 130104108 573470162 /nfs/dbraw/zinc/47/01/62/573470162.db2.gz VLWGYPXPMMTQAD-NXEZZACHSA-N 2 2 184.327 1.715 10 0 ADAELP 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184.308 1.746 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1cccs1 259472445 573491480 /nfs/dbraw/zinc/49/14/80/573491480.db2.gz RUCYTHXSSHFDNL-MRVPVSSYSA-N 2 2 184.308 1.746 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCCn2cc[nH+]c21 107311183 573494236 /nfs/dbraw/zinc/49/42/36/573494236.db2.gz IYSWKLORSLQGPY-HTQZYQBOSA-N 2 2 165.240 1.108 10 0 ADAELP CCc1[nH+]c(C[NH3+])c2cccc(C)n12 107308917 573494486 /nfs/dbraw/zinc/49/44/86/573494486.db2.gz IZTGSXHKEKFNKI-UHFFFAOYSA-N 2 2 189.262 1.664 10 0 ADAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CF)C1 308399310 573499704 /nfs/dbraw/zinc/49/97/04/573499704.db2.gz GGKJNEDEUQVZCZ-LPEHRKFASA-N 2 2 188.290 1.274 10 0 ADAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CF)C1 308399310 573499709 /nfs/dbraw/zinc/49/97/09/573499709.db2.gz GGKJNEDEUQVZCZ-LPEHRKFASA-N 2 2 188.290 1.274 10 0 ADAELP [NH3+]C[C@@]1(c2ccncc2)CCCC[NH2+]1 258706157 573499803 /nfs/dbraw/zinc/49/98/03/573499803.db2.gz NLONQIIASLLGBU-LLVKDONJSA-N 2 2 191.278 1.009 10 0 ADAELP 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/nfs/dbraw/zinc/53/79/19/573537919.db2.gz VQUAEXCDAGTYDR-UHFFFAOYSA-N 2 2 182.242 1.182 10 0 ADAELP Cc1[nH]c(CC[NH3+])[nH+]c1C1CCC1 257829466 573537981 /nfs/dbraw/zinc/53/79/81/573537981.db2.gz IXEWRIHTJIQBAI-UHFFFAOYSA-N 2 2 179.267 1.487 10 0 ADAELP Cc1[nH+]c(CC[NH3+])[nH]c1C1CCC1 257829466 573537985 /nfs/dbraw/zinc/53/79/85/573537985.db2.gz IXEWRIHTJIQBAI-UHFFFAOYSA-N 2 2 179.267 1.487 10 0 ADAELP Nc1[nH+]cccc1CC1=C[C@@H]([NH3+])CC1 83548524 573546219 /nfs/dbraw/zinc/54/62/19/573546219.db2.gz SCBPUEQNJRFHRN-JTQLQIEISA-N 2 2 189.262 1.254 10 0 ADAELP c1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c[nH]1 258764196 573546355 /nfs/dbraw/zinc/54/63/55/573546355.db2.gz AFOWJLQBLLRDNP-NSHDSACASA-N 2 2 193.294 1.246 10 0 ADAELP Nc1[nH+]cccc1C1=C[C@@H]([NH3+])CC1 83548521 573546367 /nfs/dbraw/zinc/54/63/67/573546367.db2.gz OWYJGLZTURNRGP-QMMMGPOBSA-N 2 2 175.235 1.168 10 0 ADAELP CCn1cc[nH+]c1C1=C[C@@H]([NH3+])CC1 83548064 573546456 /nfs/dbraw/zinc/54/64/56/573546456.db2.gz VURBZEQWSOVBGF-VIFPVBQESA-N 2 2 177.251 1.408 10 0 ADAELP CC(C)[C@H](C)[NH2+]C(C)(C)C[NH+](C)C 308611552 573546499 /nfs/dbraw/zinc/54/64/99/573546499.db2.gz AZKOOHRGBZEQER-JTQLQIEISA-N 2 2 186.343 1.961 10 0 ADAELP C1CCC2(C1)C[NH+]([C@@H]1CC[NH2+]C1)C2 86663388 573550214 /nfs/dbraw/zinc/55/02/14/573550214.db2.gz PLZJXFKLOXYTAX-SNVBAGLBSA-N 2 2 180.295 1.224 10 0 ADAELP CC(C)Cc1c[nH]c(C[C@@H](C)[NH3+])[nH+]1 259122509 573550228 /nfs/dbraw/zinc/55/02/28/573550228.db2.gz QDHWGICXXYVJBT-MRVPVSSYSA-N 2 2 181.283 1.498 10 0 ADAELP CC(C)(C)C1C[NH+]([C@@H]2CC[NH2+]C2)C1 86663400 573550242 /nfs/dbraw/zinc/55/02/42/573550242.db2.gz CLYNEGBQLNDWQY-SNVBAGLBSA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)Cc1c[nH]c(C[C@H](C)[NH3+])[nH+]1 259122512 573550255 /nfs/dbraw/zinc/55/02/55/573550255.db2.gz QDHWGICXXYVJBT-QMMMGPOBSA-N 2 2 181.283 1.498 10 0 ADAELP CCn1cc[nH+]c1C1=C[C@H]([NH3+])CC1 83548061 573549537 /nfs/dbraw/zinc/54/95/37/573549537.db2.gz VURBZEQWSOVBGF-SECBINFHSA-N 2 2 177.251 1.408 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1ccc(OC)cc1 259119402 573549578 /nfs/dbraw/zinc/54/95/78/573549578.db2.gz AJKQGSJZDYFVII-LLVKDONJSA-N 2 2 194.278 1.175 10 0 ADAELP CC[NH2+][C@@H](C[NH3+])c1c(C)cccc1C 126504167 573549716 /nfs/dbraw/zinc/54/97/16/573549716.db2.gz DHHWJIVQTIRABX-NSHDSACASA-N 2 2 192.306 1.913 10 0 ADAELP CC(C)C1C[NH+](C[C@H]2CCC[NH2+]2)C1 86663437 573549896 /nfs/dbraw/zinc/54/98/96/573549896.db2.gz SVMSFMSKJYIBQS-LLVKDONJSA-N 2 2 182.311 1.326 10 0 ADAELP C[NH2+]C[C@H]1C[NH2+]Cc2c(F)cccc21 257826256 573549944 /nfs/dbraw/zinc/54/99/44/573549944.db2.gz HMZNEUCJWKCZKL-QMMMGPOBSA-N 2 2 194.253 1.232 10 0 ADAELP C1CCC2(C1)C[NH+]([C@H]1CC[NH2+]C1)C2 86663389 573550100 /nfs/dbraw/zinc/55/01/00/573550100.db2.gz PLZJXFKLOXYTAX-JTQLQIEISA-N 2 2 180.295 1.224 10 0 ADAELP C[C@@H]1CC[N@@H+]1C[C@@H]1CCCC[NH2+]1 86663220 573550148 /nfs/dbraw/zinc/55/01/48/573550148.db2.gz RYOZMCCIFSTWIV-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP C[C@@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]1 86663220 573550154 /nfs/dbraw/zinc/55/01/54/573550154.db2.gz RYOZMCCIFSTWIV-ZJUUUORDSA-N 2 2 168.284 1.223 10 0 ADAELP CCC1(CC)C[NH+]([C@@H]2CC[NH2+]C2)C1 86663384 573550174 /nfs/dbraw/zinc/55/01/74/573550174.db2.gz MKHOUWAXUDKZAK-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 223156454 573554702 /nfs/dbraw/zinc/55/47/02/573554702.db2.gz ABYPUNWSLJJEEH-DNRKLUKYSA-N 2 2 194.322 1.610 10 0 ADAELP CCc1ccc([C@H]([NH2+]C)[C@@H](C)[NH3+])cc1 259505716 573554894 /nfs/dbraw/zinc/55/48/94/573554894.db2.gz REYKNWXQNXBOTE-BXKDBHETSA-N 2 2 192.306 1.857 10 0 ADAELP C1C[NH2+][C@@H](C[NH+]2CC3(CCC3)C2)C1 86663438 573554905 /nfs/dbraw/zinc/55/49/05/573554905.db2.gz KLNUYSVDIWGJMH-SNVBAGLBSA-N 2 2 180.295 1.224 10 0 ADAELP Cc1[nH]c([C@@H](C)C[NH3+])[nH+]c1CC(C)C 258771328 573554967 /nfs/dbraw/zinc/55/49/67/573554967.db2.gz UABLXEMMDWGZQG-QMMMGPOBSA-N 2 2 195.310 1.979 10 0 ADAELP Cc1[nH+]c([C@@H](C)C[NH3+])[nH]c1CC(C)C 258771328 573554970 /nfs/dbraw/zinc/55/49/70/573554970.db2.gz UABLXEMMDWGZQG-QMMMGPOBSA-N 2 2 195.310 1.979 10 0 ADAELP C1CC[C@H](C[NH+]2CC3(CCC3)C2)[NH2+]C1 86663229 573554987 /nfs/dbraw/zinc/55/49/87/573554987.db2.gz AFIZZSBBZHRMFL-LLVKDONJSA-N 2 2 194.322 1.614 10 0 ADAELP CCC1C[NH+](C[C@H]2CCCC[NH2+]2)C1 86663215 573555025 /nfs/dbraw/zinc/55/50/25/573555025.db2.gz FRYWVGZZIXASJN-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP Cc1cc(N[C@H](C[NH3+])C(C)C)nc[nH+]1 83568875 573555038 /nfs/dbraw/zinc/55/50/38/573555038.db2.gz SRSAWBJSMAPBTD-SECBINFHSA-N 2 2 194.282 1.180 10 0 ADAELP C1C[NH2+][C@@H](C[NH+]2CC3(CCCC3)C2)C1 86663433 573555059 /nfs/dbraw/zinc/55/50/59/573555059.db2.gz VXJVPNQDMWLHJA-LLVKDONJSA-N 2 2 194.322 1.614 10 0 ADAELP Cc1ccc([C@H]([NH3+])[C@@H](C[NH3+])C(C)C)o1 259121705 573555065 /nfs/dbraw/zinc/55/50/65/573555065.db2.gz ALOVUMLSKYFRGW-GXSJLCMTSA-N 2 2 196.294 1.819 10 0 ADAELP C[NH2+]CC[NH+]1CC2(CCCC2)C1 86663476 573555135 /nfs/dbraw/zinc/55/51/35/573555135.db2.gz PCUSHNJVUTUJDY-UHFFFAOYSA-N 2 2 168.284 1.082 10 0 ADAELP C[N@@H+]1CC[C@H]([NH2+]CCC2CCC2)C1 130351961 573555212 /nfs/dbraw/zinc/55/52/12/573555212.db2.gz QSNMDSLSVNEXKX-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CC[C@H]([NH2+]CCC2CCC2)C1 130351961 573555217 /nfs/dbraw/zinc/55/52/17/573555217.db2.gz QSNMDSLSVNEXKX-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP CCCC1C[NH+]([C@@H]2CC[NH2+]C2)C1 86663378 573555281 /nfs/dbraw/zinc/55/52/81/573555281.db2.gz UAAJAPDLGFPPQA-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP CC1C[NH+](C[C@H]2CCCC[NH2+]2)C1 86663217 573555391 /nfs/dbraw/zinc/55/53/91/573555391.db2.gz YHFFRMFFUYZSLP-SNVBAGLBSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 223156454 573554696 /nfs/dbraw/zinc/55/46/96/573554696.db2.gz ABYPUNWSLJJEEH-DNRKLUKYSA-N 2 2 194.322 1.610 10 0 ADAELP CC[C@H](C[NH3+])[NH+]1CC(C)(C)C1 86679677 573559961 /nfs/dbraw/zinc/55/99/61/573559961.db2.gz CTQHZLZYPFYWJA-MRVPVSSYSA-N 2 2 156.273 1.066 10 0 ADAELP CC(C)c1[nH+]c(C2CC2)[nH]c1C[NH3+] 75407195 573560132 /nfs/dbraw/zinc/56/01/32/573560132.db2.gz QEJCATFPVQCHIB-UHFFFAOYSA-N 2 2 179.267 1.869 10 0 ADAELP CC[N@H+]1C[C@@H]([NH2+]CC=C(C)C)[C@H](C)C1 308621053 573560167 /nfs/dbraw/zinc/56/01/67/573560167.db2.gz TZDAYVGTBDAASC-VXGBXAGGSA-N 2 2 196.338 1.882 10 0 ADAELP CC[N@@H+]1C[C@@H]([NH2+]CC=C(C)C)[C@H](C)C1 308621053 573560174 /nfs/dbraw/zinc/56/01/74/573560174.db2.gz TZDAYVGTBDAASC-VXGBXAGGSA-N 2 2 196.338 1.882 10 0 ADAELP CC1C[NH+](C[C@@H]([NH3+])c2ccccc2)C1 86678053 573560538 /nfs/dbraw/zinc/56/05/38/573560538.db2.gz NSEBLQBDDLRROS-GFCCVEGCSA-N 2 2 190.290 1.638 10 0 ADAELP Cc1[nH]c(C[NH3+])c(C2CC2)[nH+]1 75407298 573560563 /nfs/dbraw/zinc/56/05/63/573560563.db2.gz OFNPENSUUKHJGL-UHFFFAOYSA-N 2 2 151.213 1.054 10 0 ADAELP CC1(C)C[NH+]([C@@H](C[NH3+])C2CC2)C1 86679611 573560569 /nfs/dbraw/zinc/56/05/69/573560569.db2.gz IKLVGCNCUPNPMB-VIFPVBQESA-N 2 2 168.284 1.066 10 0 ADAELP CC[C@H](C[NH3+])[NH+]1CC2(CCCC2)C1 86679643 573560609 /nfs/dbraw/zinc/56/06/09/573560609.db2.gz YMMXDXQMWNAMCZ-SNVBAGLBSA-N 2 2 182.311 1.600 10 0 ADAELP [NH3+]C[C@H]1Cc2ccc(Cl)cc2C[NH2+]1 257831145 573565476 /nfs/dbraw/zinc/56/54/76/573565476.db2.gz JFJNDMHXZUXEHH-SNVBAGLBSA-N 2 2 196.681 1.313 10 0 ADAELP C[C@@H]([NH3+])[C@H]1CCc2c[nH+]ccc21 107400980 573568443 /nfs/dbraw/zinc/56/84/43/573568443.db2.gz HUWSWIZEFAFHIC-VXNVDRBHSA-N 2 2 162.236 1.459 10 0 ADAELP [NH3+]CC[C@@H]1CCc2[nH+]cccc21 107400955 573568849 /nfs/dbraw/zinc/56/88/49/573568849.db2.gz YBMSTKXWBYVKQK-QMMMGPOBSA-N 2 2 162.236 1.460 10 0 ADAELP c1cc(NCCc2c[nH]c[nH+]2)cc[nH+]1 83610727 573569961 /nfs/dbraw/zinc/56/99/61/573569961.db2.gz HWKIJZSYRCQFRD-UHFFFAOYSA-N 2 2 188.234 1.459 10 0 ADAELP c1cc(NCCc2c[nH+]c[nH]2)cc[nH+]1 83610727 573569964 /nfs/dbraw/zinc/56/99/64/573569964.db2.gz HWKIJZSYRCQFRD-UHFFFAOYSA-N 2 2 188.234 1.459 10 0 ADAELP [NH3+]CC[C@H]1CCc2[nH+]cccc21 107400952 573569996 /nfs/dbraw/zinc/56/99/96/573569996.db2.gz YBMSTKXWBYVKQK-MRVPVSSYSA-N 2 2 162.236 1.460 10 0 ADAELP CC[C@H]([NH2+]CCc1c[nH]c[nH+]1)C(C)C 83610072 573570000 /nfs/dbraw/zinc/57/00/00/573570000.db2.gz SDGOYKWPYGVMCM-NSHDSACASA-N 2 2 195.310 1.976 10 0 ADAELP CC[C@H]([NH2+]CCc1c[nH+]c[nH]1)C(C)C 83610072 573570008 /nfs/dbraw/zinc/57/00/08/573570008.db2.gz SDGOYKWPYGVMCM-NSHDSACASA-N 2 2 195.310 1.976 10 0 ADAELP C[NH2+][C@H](c1cccs1)[C@@H]1CCC[NH2+]1 259513624 573570122 /nfs/dbraw/zinc/57/01/22/573570122.db2.gz SXOABYSXMIERKA-WPRPVWTQSA-N 2 2 196.319 1.761 10 0 ADAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(C)=O 308623581 573570225 /nfs/dbraw/zinc/57/02/25/573570225.db2.gz VAHHTYVTTMVGIQ-LLVKDONJSA-N 2 2 198.310 1.039 10 0 ADAELP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC(C)=O 308623581 573570230 /nfs/dbraw/zinc/57/02/30/573570230.db2.gz VAHHTYVTTMVGIQ-LLVKDONJSA-N 2 2 198.310 1.039 10 0 ADAELP COc1ccc(C)cc1[C@](C)([NH3+])C[NH3+] 259113784 573573517 /nfs/dbraw/zinc/57/35/17/573573517.db2.gz RGZPRIXYSSYUFH-LLVKDONJSA-N 2 2 194.278 1.136 10 0 ADAELP [NH3+][C@@H](c1ccoc1)[C@@H]([NH3+])C1CC1 95837666 573573655 /nfs/dbraw/zinc/57/36/55/573573655.db2.gz QICPPJUQVPWCGK-IUCAKERBSA-N 2 2 166.224 1.017 10 0 ADAELP CCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C2)CC1 130515418 573577476 /nfs/dbraw/zinc/57/74/76/573577476.db2.gz WMGFEICJCNRIQJ-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP CCC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C2)CC1 130515418 573577477 /nfs/dbraw/zinc/57/74/77/573577477.db2.gz WMGFEICJCNRIQJ-QWRGUYRKSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+]CCCCN(C)c1cccc[nH+]1 258790298 573577565 /nfs/dbraw/zinc/57/75/65/573577565.db2.gz CAMRRNYEQHECBK-UHFFFAOYSA-N 2 2 193.294 1.517 10 0 ADAELP [NH3+][C@H](c1ccc(Cl)cc1)C1([NH3+])CC1 259115253 573584059 /nfs/dbraw/zinc/58/40/59/573584059.db2.gz ADKABYOFGOCIPH-SECBINFHSA-N 2 2 196.681 1.831 10 0 ADAELP C[NH2+]C(C)(C)[C@H]([NH3+])c1ccncc1 259518222 573585957 /nfs/dbraw/zinc/58/59/57/573585957.db2.gz VREXXBPHHSCUSL-SECBINFHSA-N 2 2 179.267 1.079 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)[C@@H]1CCC[C@H]1[NH3+] 258801040 573586309 /nfs/dbraw/zinc/58/63/09/573586309.db2.gz CEWFZVVTDKJBSL-GHMZBOCLSA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)[C@@H]1CCC[C@H]1[NH3+] 258801040 573586316 /nfs/dbraw/zinc/58/63/16/573586316.db2.gz CEWFZVVTDKJBSL-GHMZBOCLSA-N 2 2 193.294 1.326 10 0 ADAELP Cc1ccc([C@H]([NH3+])C2([NH3+])CC2)cc1C 259519505 573586410 /nfs/dbraw/zinc/58/64/10/573586410.db2.gz SAZVPFPWANFUQS-NSHDSACASA-N 2 2 190.290 1.795 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C1CC1 238442500 573587336 /nfs/dbraw/zinc/58/73/36/573587336.db2.gz JDBDYGORMHCBCC-FOGDFJRCSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C1CC1 238442500 573587341 /nfs/dbraw/zinc/58/73/41/573587341.db2.gz JDBDYGORMHCBCC-FOGDFJRCSA-N 2 2 194.322 1.611 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCCC(F)F 688725629 573587527 /nfs/dbraw/zinc/58/75/27/573587527.db2.gz HEXMZPHAKVYBSO-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP [NH3+]C[C@@H]1CCC[N@H+]1CCCC(F)F 688725629 573587533 /nfs/dbraw/zinc/58/75/33/573587533.db2.gz HEXMZPHAKVYBSO-QMMMGPOBSA-N 2 2 192.253 1.455 10 0 ADAELP C[C@@H](CC[NH3+])CN(C)c1cccc[nH+]1 258802826 573587722 /nfs/dbraw/zinc/58/77/22/573587722.db2.gz DBKOWBNFWBBRSK-JTQLQIEISA-N 2 2 193.294 1.503 10 0 ADAELP C[N@H+](Cc1cc[nH]c1)[C@H]1CCC[C@H]1[NH3+] 258801041 573587746 /nfs/dbraw/zinc/58/77/46/573587746.db2.gz CEWFZVVTDKJBSL-MNOVXSKESA-N 2 2 193.294 1.326 10 0 ADAELP C[N@@H+](Cc1cc[nH]c1)[C@H]1CCC[C@H]1[NH3+] 258801041 573587749 /nfs/dbraw/zinc/58/77/49/573587749.db2.gz CEWFZVVTDKJBSL-MNOVXSKESA-N 2 2 193.294 1.326 10 0 ADAELP CC(C)C[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 258804150 573587988 /nfs/dbraw/zinc/58/79/88/573587988.db2.gz NLUQYZVBKXTPIJ-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC(C)C[N@H+]1CCC[C@@H]([NH3+])C1(C)C 258804150 573587993 /nfs/dbraw/zinc/58/79/93/573587993.db2.gz NLUQYZVBKXTPIJ-SNVBAGLBSA-N 2 2 184.327 1.844 10 0 ADAELP CC1(C)CCC[N@@H+]([C@H]2CC[NH2+]C2)CC1 83680592 573590586 /nfs/dbraw/zinc/59/05/86/573590586.db2.gz TZEQFXOQNQQEND-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC1(C)CCC[N@H+]([C@H]2CC[NH2+]C2)CC1 83680592 573590592 /nfs/dbraw/zinc/59/05/92/573590592.db2.gz TZEQFXOQNQQEND-NSHDSACASA-N 2 2 196.338 1.860 10 0 ADAELP CC(C)c1ccc(CC[NH2+]C[NH3+])cc1 258812874 573590813 /nfs/dbraw/zinc/59/08/13/573590813.db2.gz FNWHPFJFQFEKLW-UHFFFAOYSA-N 2 2 192.306 1.858 10 0 ADAELP CC1(c2[nH]c(C[NH3+])c[nH+]2)CCC1 259521221 573592134 /nfs/dbraw/zinc/59/21/34/573592134.db2.gz AIJLCSJHRRXNFU-UHFFFAOYSA-N 2 2 165.240 1.310 10 0 ADAELP C[N@@H+]1CCC[NH2+]C[C@H]1C1CCCC1 82394822 573592589 /nfs/dbraw/zinc/59/25/89/573592589.db2.gz VHPRYIGIVAUIGD-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[N@H+]1CCC[NH2+]C[C@H]1C1CCCC1 82394822 573592593 /nfs/dbraw/zinc/59/25/93/573592593.db2.gz VHPRYIGIVAUIGD-NSHDSACASA-N 2 2 182.311 1.470 10 0 ADAELP C[C@H](C[NH3+])[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700013 573594380 /nfs/dbraw/zinc/59/43/80/573594380.db2.gz PRKZCKZHESOPQP-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H](C[NH3+])[N@H+]1CCC[C@H]2CCC[C@@H]21 83700013 573594384 /nfs/dbraw/zinc/59/43/84/573594384.db2.gz PRKZCKZHESOPQP-MXWKQRLJSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@]1(C[N@H+](C)CC2CC2)CCC[NH2+]1 215379974 573598211 /nfs/dbraw/zinc/59/82/11/573598211.db2.gz SYMAPBWCFDDCRK-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@]1(C[N@@H+](C)CC2CC2)CCC[NH2+]1 215379974 573598217 /nfs/dbraw/zinc/59/82/17/573598217.db2.gz SYMAPBWCFDDCRK-LBPRGKRZSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@H](C[NH3+])c1[nH]cc(C)[nH+]1 259139243 573598479 /nfs/dbraw/zinc/59/84/79/573598479.db2.gz ROULCSYVPQSZTM-SSDOTTSWSA-N 2 2 153.229 1.170 10 0 ADAELP C[NH+](C)[C@@H](c1ccc[nH]1)C(C)(C)[NH3+] 259526496 573598743 /nfs/dbraw/zinc/59/87/43/573598743.db2.gz MZCOUGCHEMMLLG-VIFPVBQESA-N 2 2 181.283 1.355 10 0 ADAELP C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccccn1 308645471 573598744 /nfs/dbraw/zinc/59/87/44/573598744.db2.gz HCXDAOUQPOHVRM-UTLUCORTSA-N 2 2 193.294 1.468 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[C@](F)(C[NH3+])C1 259525601 573601910 /nfs/dbraw/zinc/60/19/10/573601910.db2.gz ASLHHSLDBLEKJH-JTQLQIEISA-N 2 2 188.290 1.548 10 0 ADAELP CC(C)(C)[N@H+]1CCC[C@](F)(C[NH3+])C1 259525601 573601913 /nfs/dbraw/zinc/60/19/13/573601913.db2.gz ASLHHSLDBLEKJH-JTQLQIEISA-N 2 2 188.290 1.548 10 0 ADAELP CC(C)(C)[N@@H+]1CCC[C@@](F)(C[NH3+])C1 259525611 573601981 /nfs/dbraw/zinc/60/19/81/573601981.db2.gz ASLHHSLDBLEKJH-SNVBAGLBSA-N 2 2 188.290 1.548 10 0 ADAELP CC(C)(C)[N@H+]1CCC[C@@](F)(C[NH3+])C1 259525611 573601989 /nfs/dbraw/zinc/60/19/89/573601989.db2.gz ASLHHSLDBLEKJH-SNVBAGLBSA-N 2 2 188.290 1.548 10 0 ADAELP CC(C)[C@](C)([NH3+])Cc1[nH+]ccn1C 86750629 573602017 /nfs/dbraw/zinc/60/20/17/573602017.db2.gz KMEVIRVGZQHBGS-SNVBAGLBSA-N 2 2 181.283 1.336 10 0 ADAELP CC(C)CC[C@@H]1CC[N@H+](C)C[C@@H]1[NH3+] 82397443 573602234 /nfs/dbraw/zinc/60/22/34/573602234.db2.gz BIFYWNBEOUVRGB-MNOVXSKESA-N 2 2 184.327 1.702 10 0 ADAELP CC(C)CC[C@@H]1CC[N@@H+](C)C[C@@H]1[NH3+] 82397443 573602243 /nfs/dbraw/zinc/60/22/43/573602243.db2.gz BIFYWNBEOUVRGB-MNOVXSKESA-N 2 2 184.327 1.702 10 0 ADAELP CSc1ccc(CC[NH2+]C[NH3+])cc1 258819184 573602420 /nfs/dbraw/zinc/60/24/20/573602420.db2.gz GCDLOQCNHLLFEB-UHFFFAOYSA-N 2 2 196.319 1.457 10 0 ADAELP CCn1cc[nH+]c1CC1=C[C@@H]([NH3+])CC1 86754417 573607433 /nfs/dbraw/zinc/60/74/33/573607433.db2.gz NOONTUTZBJSNMJ-JTQLQIEISA-N 2 2 191.278 1.493 10 0 ADAELP CCn1cc[nH+]c1CC1=C[C@H]([NH3+])CC1 86754415 573607446 /nfs/dbraw/zinc/60/74/46/573607446.db2.gz NOONTUTZBJSNMJ-SNVBAGLBSA-N 2 2 191.278 1.493 10 0 ADAELP CCc1c[nH]c([C@@H](C[NH3+])C(C)C)[nH+]1 259129324 573607475 /nfs/dbraw/zinc/60/74/75/573607475.db2.gz QSWXHQRNUQPNKI-VIFPVBQESA-N 2 2 181.283 1.670 10 0 ADAELP CCc1c[nH]c([C@H](C[NH3+])C(C)C)[nH+]1 259129319 573610013 /nfs/dbraw/zinc/61/00/13/573610013.db2.gz QSWXHQRNUQPNKI-SECBINFHSA-N 2 2 181.283 1.670 10 0 ADAELP [NH3+][C@@H](c1cccc(F)c1)[C@@H]1CCC[NH2+]1 259127691 573610062 /nfs/dbraw/zinc/61/00/62/573610062.db2.gz CFOKDASATDUUSV-QWRGUYRKSA-N 2 2 194.253 1.578 10 0 ADAELP C[C@H]1CC[NH2+][C@@H](Cc2[nH+]ccn2C)C1 86753616 573610097 /nfs/dbraw/zinc/61/00/97/573610097.db2.gz GEJPMZDKDLVVJQ-VHSXEESVSA-N 2 2 193.294 1.351 10 0 ADAELP CC[NH2+]C[C@@H]([NH2+]C)c1cccs1 259129378 573610334 /nfs/dbraw/zinc/61/03/34/573610334.db2.gz BOPWOVMXEOXDAM-MRVPVSSYSA-N 2 2 184.308 1.618 10 0 ADAELP COc1cccc([C@H]([NH3+])C2([NH3+])CC2)c1 259127922 573611784 /nfs/dbraw/zinc/61/17/84/573611784.db2.gz ASTBNLPRFJNPRW-JTQLQIEISA-N 2 2 192.262 1.186 10 0 ADAELP CC[NH2+]C[C@H]([NH2+]C)c1cccs1 259129382 573611115 /nfs/dbraw/zinc/61/11/15/573611115.db2.gz BOPWOVMXEOXDAM-QMMMGPOBSA-N 2 2 184.308 1.618 10 0 ADAELP Cc1[nH]c2cc([C@@H](C)[NH3+])ccc2[nH+]1 82399004 573611128 /nfs/dbraw/zinc/61/11/28/573611128.db2.gz ABZMIWVPWPYGRD-ZCFIWIBFSA-N 2 2 175.235 1.891 10 0 ADAELP Cc1[nH]c2ccc([C@@H](C)[NH3+])cc2[nH+]1 82399004 573611130 /nfs/dbraw/zinc/61/11/30/573611130.db2.gz ABZMIWVPWPYGRD-ZCFIWIBFSA-N 2 2 175.235 1.891 10 0 ADAELP [NH3+][C@H](c1cccc(F)c1)[C@@H]1CCC[NH2+]1 259127692 573611829 /nfs/dbraw/zinc/61/18/29/573611829.db2.gz CFOKDASATDUUSV-WDEREUQCSA-N 2 2 194.253 1.578 10 0 ADAELP CCc1ccc([C@H]([NH3+])C[NH2+]C)cc1 259130235 573611613 /nfs/dbraw/zinc/61/16/13/573611613.db2.gz CKJGZQUBVDWJBS-LLVKDONJSA-N 2 2 178.279 1.468 10 0 ADAELP CC[C@](C)([NH3+])C[NH+]1CCSCC1 86808934 573629603 /nfs/dbraw/zinc/62/96/03/573629603.db2.gz NVKHYILHHBWLNJ-VIFPVBQESA-N 2 2 188.340 1.163 10 0 ADAELP Cc1cc(CCC2([NH3+])CC2)cc[nH+]1 257834254 573628969 /nfs/dbraw/zinc/62/89/69/573628969.db2.gz KRBXTELCSASJQH-UHFFFAOYSA-N 2 2 176.263 1.814 10 0 ADAELP C[C@@H](CCCC[NH3+])[NH2+]Cc1c[nH+]c[nH]1 308659975 573629098 /nfs/dbraw/zinc/62/90/98/573629098.db2.gz PFQCXNTYUGPNII-VIFPVBQESA-N 3 2 196.298 1.017 10 0 ADAELP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH+]c[nH]1 308659973 573629241 /nfs/dbraw/zinc/62/92/41/573629241.db2.gz PFQCXNTYUGPNII-SECBINFHSA-N 3 2 196.298 1.017 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1sccc1C 259133115 573629577 /nfs/dbraw/zinc/62/95/77/573629577.db2.gz CLZKFNAKCQWXQN-ZETCQYMHSA-N 2 2 170.281 1.276 10 0 ADAELP CC[C@@](C)([NH3+])C[N@@H+]1CCCC1(C)C 86810340 573632213 /nfs/dbraw/zinc/63/22/13/573632213.db2.gz GPAWBYWKDANDKU-LLVKDONJSA-N 2 2 184.327 1.988 10 0 ADAELP CC[C@@](C)([NH3+])C[N@H+]1CCCC1(C)C 86810340 573632219 /nfs/dbraw/zinc/63/22/19/573632219.db2.gz GPAWBYWKDANDKU-LLVKDONJSA-N 2 2 184.327 1.988 10 0 ADAELP CC(C)[NH2+][C@H](C[NH3+])c1cccc(O)c1 257845007 573638051 /nfs/dbraw/zinc/63/80/51/573638051.db2.gz NKEKALUCVXLZIU-LLVKDONJSA-N 2 2 194.278 1.390 10 0 ADAELP C[C@H]1C[C@@H](c2ccccc2)[NH2+]CC[NH2+]1 238460857 573638517 /nfs/dbraw/zinc/63/85/17/573638517.db2.gz JMGBKHXHMLUXEJ-JQWIXIFHSA-N 2 2 190.290 1.699 10 0 ADAELP C[NH2+]C[C@@H](c1[nH]cc(C)[nH+]1)C(C)C 259145058 573638543 /nfs/dbraw/zinc/63/85/43/573638543.db2.gz SBXCULIJRDSJMY-SECBINFHSA-N 2 2 181.283 1.677 10 0 ADAELP [NH3+][C@H](C[NH2+]C1CC1)c1cccc(F)c1 258082871 573655532 /nfs/dbraw/zinc/65/55/32/573655532.db2.gz JIPHSIZAQBMWRR-LLVKDONJSA-N 2 2 194.253 1.578 10 0 ADAELP CC1(C)CC[C@@H](n2cc[nH+]c2)[C@H]1[NH3+] 86856678 573655694 /nfs/dbraw/zinc/65/56/94/573655694.db2.gz IJFHLAOFEBWVTE-RKDXNWHRSA-N 2 2 179.267 1.572 10 0 ADAELP CC(C)c1[nH]c(CCC2([NH3+])CC2)c[nH+]1 257841304 573656050 /nfs/dbraw/zinc/65/60/50/573656050.db2.gz MGYOVUGTJSOUEN-UHFFFAOYSA-N 2 2 193.294 1.957 10 0 ADAELP Cc1cc(N)[nH+]cc1[C@H]1CCC[NH2+]C1 238458260 573656172 /nfs/dbraw/zinc/65/61/72/573656172.db2.gz DXIMESWOOPWHCP-VIFPVBQESA-N 2 2 191.278 1.439 10 0 ADAELP C[NH2+][C@H]1[C@@H](n2cc[nH+]c2)CCC1(C)C 86856667 573656175 /nfs/dbraw/zinc/65/61/75/573656175.db2.gz DKGOXCCZIFXZCD-UWVGGRQHSA-N 2 2 193.294 1.832 10 0 ADAELP C[C@@H]1CC[N@@H+]([C@@H]2CCC(C)(C)[C@@H]2[NH3+])C1 86856373 573656680 /nfs/dbraw/zinc/65/66/80/573656680.db2.gz ZDDLCEMYWNIRCH-GMTAPVOTSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H]1CC[N@H+]([C@@H]2CCC(C)(C)[C@@H]2[NH3+])C1 86856373 573656685 /nfs/dbraw/zinc/65/66/85/573656685.db2.gz ZDDLCEMYWNIRCH-GMTAPVOTSA-N 2 2 196.338 1.844 10 0 ADAELP [NH3+][C@@H](C[NH2+]C1CC1)c1cccc(F)c1 258082875 573656780 /nfs/dbraw/zinc/65/67/80/573656780.db2.gz JIPHSIZAQBMWRR-NSHDSACASA-N 2 2 194.253 1.578 10 0 ADAELP CC1(C)CC[C@H](n2cc[nH+]c2)[C@@H]1[NH3+] 86856675 573656863 /nfs/dbraw/zinc/65/68/63/573656863.db2.gz IJFHLAOFEBWVTE-IUCAKERBSA-N 2 2 179.267 1.572 10 0 ADAELP C[NH2+]C[NH2+]CCc1cccc(OC)c1 258863119 573664260 /nfs/dbraw/zinc/66/42/60/573664260.db2.gz KCKNLPCVDZNRKO-UHFFFAOYSA-N 2 2 194.278 1.004 10 0 ADAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[NH+](C)C 43353096 573664266 /nfs/dbraw/zinc/66/42/66/573664266.db2.gz QJZGTVFPLAPZJZ-QWRGUYRKSA-N 2 2 193.294 1.422 10 0 ADAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccncc1 43352946 573663657 /nfs/dbraw/zinc/66/36/57/573663657.db2.gz NAZXAFMBYBWYPK-LLVKDONJSA-N 2 2 193.294 1.422 10 0 ADAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccncc1 43352946 573663666 /nfs/dbraw/zinc/66/36/66/573663666.db2.gz NAZXAFMBYBWYPK-LLVKDONJSA-N 2 2 193.294 1.422 10 0 ADAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccncc1 43353316 573663879 /nfs/dbraw/zinc/66/38/79/573663879.db2.gz CEPXVUVBLFEMJC-LLVKDONJSA-N 2 2 193.294 1.423 10 0 ADAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccncc1 43353316 573663888 /nfs/dbraw/zinc/66/38/88/573663888.db2.gz CEPXVUVBLFEMJC-LLVKDONJSA-N 2 2 193.294 1.423 10 0 ADAELP C[NH2+]Cc1ccc(-c2c[nH]c[nH+]2)cc1 259546086 573663946 /nfs/dbraw/zinc/66/39/46/573663946.db2.gz CENGQHPDVWQBST-UHFFFAOYSA-N 2 2 187.246 1.796 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1c[nH]c2ccccc12 258861880 573668674 /nfs/dbraw/zinc/66/86/74/573668674.db2.gz RFXNHCQVSJCXKF-NSHDSACASA-N 2 2 189.262 1.387 10 0 ADAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[NH+](C)C 43353094 573669042 /nfs/dbraw/zinc/66/90/42/573669042.db2.gz QJZGTVFPLAPZJZ-WDEREUQCSA-N 2 2 193.294 1.422 10 0 ADAELP C[C@@H]1CCCC[C@H]1[N@H+](C)CC1([NH3+])CC1 83837183 573679417 /nfs/dbraw/zinc/67/94/17/573679417.db2.gz HDBBOLIVXSGJHG-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1([NH3+])CC1 83837183 573679423 /nfs/dbraw/zinc/67/94/23/573679423.db2.gz HDBBOLIVXSGJHG-GHMZBOCLSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCCC[C@@H]1[N@H+](C)CC1([NH3+])CC1 83837181 573679476 /nfs/dbraw/zinc/67/94/76/573679476.db2.gz HDBBOLIVXSGJHG-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1([NH3+])CC1 83837181 573679478 /nfs/dbraw/zinc/67/94/78/573679478.db2.gz HDBBOLIVXSGJHG-QWRGUYRKSA-N 2 2 196.338 1.988 10 0 ADAELP [NH3+]CCc1c[nH+]c([C@H]2CCSC2)[nH]1 258091338 573679850 /nfs/dbraw/zinc/67/98/50/573679850.db2.gz NBPVBNGJXGLSQP-ZETCQYMHSA-N 2 2 197.307 1.131 10 0 ADAELP [NH3+]CCc1c[nH]c([C@H]2CCSC2)[nH+]1 258091338 573679859 /nfs/dbraw/zinc/67/98/59/573679859.db2.gz NBPVBNGJXGLSQP-ZETCQYMHSA-N 2 2 197.307 1.131 10 0 ADAELP C[C@@H]1C[C@@H]2C3CC[NH+](CC3)[C@@H]2C[NH2+]1 107981039 573679899 /nfs/dbraw/zinc/67/98/99/573679899.db2.gz HAPXXBYBKYURID-FBIMIBRVSA-N 2 2 180.295 1.079 10 0 ADAELP CC[C@H](C1CCC1)[N@@H+]1CCC[C@H]([NH3+])C1 108005002 573682234 /nfs/dbraw/zinc/68/22/34/573682234.db2.gz HSOXXEHEFPKDDW-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP CC[C@H](C1CCC1)[N@H+]1CCC[C@H]([NH3+])C1 108005002 573682239 /nfs/dbraw/zinc/68/22/39/573682239.db2.gz HSOXXEHEFPKDDW-NWDGAFQWSA-N 2 2 196.338 1.988 10 0 ADAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)C2CCC2)C1 108011452 573682377 /nfs/dbraw/zinc/68/23/77/573682377.db2.gz PZIQNFOMXXWDNH-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)C2CCC2)C1 108011452 573682382 /nfs/dbraw/zinc/68/23/82/573682382.db2.gz PZIQNFOMXXWDNH-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1ccc(CC[NH2+]C[NH3+])cc1C 258876033 573682402 /nfs/dbraw/zinc/68/24/02/573682402.db2.gz LKKDOTCJLVLJIR-UHFFFAOYSA-N 2 2 178.279 1.352 10 0 ADAELP C/C=C\C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1 308417543 573686096 /nfs/dbraw/zinc/68/60/96/573686096.db2.gz TXJVIIHPNCBXLU-ZZKXABKFSA-N 2 2 194.322 1.779 10 0 ADAELP C/C=C\C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1 308417543 573686104 /nfs/dbraw/zinc/68/61/04/573686104.db2.gz TXJVIIHPNCBXLU-ZZKXABKFSA-N 2 2 194.322 1.779 10 0 ADAELP Cc1cc[nH+]cc1[C@@H]1CC[NH2+]C[C@@H]1F 238478014 573686108 /nfs/dbraw/zinc/68/61/08/573686108.db2.gz IOKHKALJZRTOHZ-ONGXEEELSA-N 2 2 194.253 1.805 10 0 ADAELP C[C@@]([NH3+])(C[NH3+])c1c[nH]c2ccccc12 259170167 573686304 /nfs/dbraw/zinc/68/63/04/573686304.db2.gz WHBYNMPYZIOGMT-LLVKDONJSA-N 2 2 189.262 1.301 10 0 ADAELP CC(C)Cc1c[nH+]c(C2CC([NH3+])C2)[nH]1 259159500 573686462 /nfs/dbraw/zinc/68/64/62/573686462.db2.gz UETSMEYVCJKDSS-UHFFFAOYSA-N 2 2 193.294 1.813 10 0 ADAELP CC[N@H+](C)CC[NH2+]CCCC(F)F 688730539 573686539 /nfs/dbraw/zinc/68/65/39/573686539.db2.gz LTYPIDGMVFOGGB-UHFFFAOYSA-N 2 2 194.269 1.573 10 0 ADAELP CC[N@@H+](C)CC[NH2+]CCCC(F)F 688730539 573686542 /nfs/dbraw/zinc/68/65/42/573686542.db2.gz LTYPIDGMVFOGGB-UHFFFAOYSA-N 2 2 194.269 1.573 10 0 ADAELP CC[NH2+]C[C@H]([NH3+])c1cccc(F)c1 259168306 573696973 /nfs/dbraw/zinc/69/69/73/573696973.db2.gz DUHOJUIVYNEBFI-JTQLQIEISA-N 2 2 182.242 1.435 10 0 ADAELP CC[C@H](C)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 86930627 573697153 /nfs/dbraw/zinc/69/71/53/573697153.db2.gz LWASIZRNPALBFS-NWDGAFQWSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@H](C)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 86930627 573697157 /nfs/dbraw/zinc/69/71/57/573697157.db2.gz LWASIZRNPALBFS-NWDGAFQWSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@H](C)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 86930627 573697164 /nfs/dbraw/zinc/69/71/64/573697164.db2.gz LWASIZRNPALBFS-NWDGAFQWSA-N 2 2 196.338 1.955 10 0 ADAELP CC[C@H](C)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 86930627 573697168 /nfs/dbraw/zinc/69/71/68/573697168.db2.gz LWASIZRNPALBFS-NWDGAFQWSA-N 2 2 196.338 1.955 10 0 ADAELP C1CC[NH+]2CCC[N@@H+](C3CC3)C[C@@H]2C1 86929497 573697322 /nfs/dbraw/zinc/69/73/22/573697322.db2.gz WUFBXQGVHNIFFT-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC[NH+]2CCC[N@H+](C3CC3)C[C@@H]2C1 86929497 573697325 /nfs/dbraw/zinc/69/73/25/573697325.db2.gz WUFBXQGVHNIFFT-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC[N@H+]2CCC[NH+](C3CC3)C[C@@H]2C1 86929497 573697331 /nfs/dbraw/zinc/69/73/31/573697331.db2.gz WUFBXQGVHNIFFT-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC[N@@H+]2CCC[NH+](C3CC3)C[C@@H]2C1 86929497 573697338 /nfs/dbraw/zinc/69/73/38/573697338.db2.gz WUFBXQGVHNIFFT-LBPRGKRZSA-N 2 2 194.322 1.709 10 0 ADAELP CC(C)Cc1c[nH]c(CC(C)(C)[NH3+])[nH+]1 259169161 573697412 /nfs/dbraw/zinc/69/74/12/573697412.db2.gz VDJUCRWWJBBKBA-UHFFFAOYSA-N 2 2 195.310 1.888 10 0 ADAELP [NH3+][C@H](C[C@H]1CCC[NH2+]1)c1ccccn1 259168478 573697569 /nfs/dbraw/zinc/69/75/69/573697569.db2.gz DVEGRZHXNYFHMR-NXEZZACHSA-N 2 2 191.278 1.224 10 0 ADAELP CC[C@@H]1C[N@H+](CCC2CC2)CCC[NH2+]1 83913303 573697605 /nfs/dbraw/zinc/69/76/05/573697605.db2.gz VVJRRHFTFAYTIK-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]1C[N@@H+](CCC2CC2)CCC[NH2+]1 83913303 573697610 /nfs/dbraw/zinc/69/76/10/573697610.db2.gz VVJRRHFTFAYTIK-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP Cc1cccc([C@](C)([NH3+])C[NH3+])c1 259167923 573697647 /nfs/dbraw/zinc/69/76/47/573697647.db2.gz WEHMXCWZBHJDCM-SNVBAGLBSA-N 2 2 164.252 1.128 10 0 ADAELP CCC[C@H](C[NH3+])c1[nH+]ccn1C 259168123 573697757 /nfs/dbraw/zinc/69/77/57/573697757.db2.gz OEOIPMFORALDEQ-MRVPVSSYSA-N 2 2 167.256 1.263 10 0 ADAELP C[C@H]1C[NH2+]CC[N@H+](CCC2CC2)C1 83912277 573697895 /nfs/dbraw/zinc/69/78/95/573697895.db2.gz NGNGJGMZPVZNOK-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP C[C@H]1C[NH2+]CC[N@@H+](CCC2CC2)C1 83912277 573697901 /nfs/dbraw/zinc/69/79/01/573697901.db2.gz NGNGJGMZPVZNOK-JTQLQIEISA-N 2 2 182.311 1.328 10 0 ADAELP CC[NH2+]C[C@@H]([NH3+])c1cccc(F)c1 259168308 573697914 /nfs/dbraw/zinc/69/79/14/573697914.db2.gz DUHOJUIVYNEBFI-SNVBAGLBSA-N 2 2 182.242 1.435 10 0 ADAELP C[NH2+][C@H](c1cccs1)C(C)(C)[NH3+] 259167074 573697933 /nfs/dbraw/zinc/69/79/33/573697933.db2.gz CEPFRJNBNLBWRC-MRVPVSSYSA-N 2 2 184.308 1.746 10 0 ADAELP C[NH2+][C@@H](C[NH2+]C(C)C)c1cc[nH]c1 259168949 573698206 /nfs/dbraw/zinc/69/82/06/573698206.db2.gz DFBXDYDPWZCOFO-JTQLQIEISA-N 2 2 181.283 1.273 10 0 ADAELP Cc1cc2c(c[nH+]1)C[C@H](C[NH3+])C2 238482516 573698224 /nfs/dbraw/zinc/69/82/24/573698224.db2.gz FRNZGJDPTBZKSW-MRVPVSSYSA-N 2 2 162.236 1.064 10 0 ADAELP C[C@@H]1C[C@@H]1[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 86931026 573698230 /nfs/dbraw/zinc/69/82/30/573698230.db2.gz YOOJGFYERUQWSA-UTUOFQBUSA-N 2 2 194.322 1.565 10 0 ADAELP [NH3+][C@@H](C[C@H]1CCC[NH2+]1)c1ccccn1 259168489 573698238 /nfs/dbraw/zinc/69/82/38/573698238.db2.gz DVEGRZHXNYFHMR-ZJUUUORDSA-N 2 2 191.278 1.224 10 0 ADAELP C[C@@H]1C[C@@H]1[N@H+]1CCC[NH+]2CCC[C@@H]2C1 86931026 573698239 /nfs/dbraw/zinc/69/82/39/573698239.db2.gz YOOJGFYERUQWSA-UTUOFQBUSA-N 2 2 194.322 1.565 10 0 ADAELP C[C@@H]1C[C@@H]1[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 86931026 573698245 /nfs/dbraw/zinc/69/82/45/573698245.db2.gz YOOJGFYERUQWSA-UTUOFQBUSA-N 2 2 194.322 1.565 10 0 ADAELP C[C@@H]1C[C@@H]1[NH+]1CCC[N@H+]2CCC[C@@H]2C1 86931026 573698252 /nfs/dbraw/zinc/69/82/52/573698252.db2.gz YOOJGFYERUQWSA-UTUOFQBUSA-N 2 2 194.322 1.565 10 0 ADAELP C[C@@H]1C[N@H+](CCC2CC2)CCC[NH2+]1 83913264 573698360 /nfs/dbraw/zinc/69/83/60/573698360.db2.gz GQPTXABMKXPOMJ-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[C@@H]1C[N@@H+](CCC2CC2)CCC[NH2+]1 83913264 573698367 /nfs/dbraw/zinc/69/83/67/573698367.db2.gz GQPTXABMKXPOMJ-SNVBAGLBSA-N 2 2 182.311 1.470 10 0 ADAELP C[N@@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929439 573698615 /nfs/dbraw/zinc/69/86/15/573698615.db2.gz HENODHSTBFIFMK-SNVBAGLBSA-N 2 2 168.284 1.176 10 0 ADAELP C[N@H+]1CCC[NH+]2CCCC[C@@H]2C1 86929439 573698621 /nfs/dbraw/zinc/69/86/21/573698621.db2.gz HENODHSTBFIFMK-SNVBAGLBSA-N 2 2 168.284 1.176 10 0 ADAELP C[NH+]1CCC[N@@H+]2CCCC[C@@H]2C1 86929439 573698629 /nfs/dbraw/zinc/69/86/29/573698629.db2.gz HENODHSTBFIFMK-SNVBAGLBSA-N 2 2 168.284 1.176 10 0 ADAELP C[NH+]1CCC[N@H+]2CCCC[C@@H]2C1 86929439 573698632 /nfs/dbraw/zinc/69/86/32/573698632.db2.gz HENODHSTBFIFMK-SNVBAGLBSA-N 2 2 168.284 1.176 10 0 ADAELP [NH3+][C@@H](C[C@@H]1CCC[NH2+]1)c1ccccn1 259168482 573698643 /nfs/dbraw/zinc/69/86/43/573698643.db2.gz DVEGRZHXNYFHMR-UWVGGRQHSA-N 2 2 191.278 1.224 10 0 ADAELP CC(C)(C)[C@@H]([NH3+])C[NH2+]Cc1ccoc1 130757896 573698766 /nfs/dbraw/zinc/69/87/66/573698766.db2.gz QLBHCGHLYWNYAZ-JTQLQIEISA-N 2 2 196.294 1.743 10 0 ADAELP CC(=[NH2+])N1CC[N@@H+]2CCCC[C@@H]2C1 86930380 573698935 /nfs/dbraw/zinc/69/89/35/573698935.db2.gz SHLRAPKUAOYQKV-SNVBAGLBSA-N 2 2 181.283 1.154 10 0 ADAELP CC(=[NH2+])N1CC[N@H+]2CCCC[C@@H]2C1 86930380 573698937 /nfs/dbraw/zinc/69/89/37/573698937.db2.gz SHLRAPKUAOYQKV-SNVBAGLBSA-N 2 2 181.283 1.154 10 0 ADAELP C1CC([N@@H+]2CCC[NH+]3CCC[C@@H]3C2)C1 86931005 573698949 /nfs/dbraw/zinc/69/89/49/573698949.db2.gz ZLXXMPACPIGYDG-GFCCVEGCSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC([N@H+]2CCC[NH+]3CCC[C@@H]3C2)C1 86931005 573698956 /nfs/dbraw/zinc/69/89/56/573698956.db2.gz ZLXXMPACPIGYDG-GFCCVEGCSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC([NH+]2CCC[N@@H+]3CCC[C@@H]3C2)C1 86931005 573698964 /nfs/dbraw/zinc/69/89/64/573698964.db2.gz ZLXXMPACPIGYDG-GFCCVEGCSA-N 2 2 194.322 1.709 10 0 ADAELP C1CC([NH+]2CCC[N@H+]3CCC[C@@H]3C2)C1 86931005 573698972 /nfs/dbraw/zinc/69/89/72/573698972.db2.gz ZLXXMPACPIGYDG-GFCCVEGCSA-N 2 2 194.322 1.709 10 0 ADAELP C[N@@H+]1CCC[C@]1(C[NH3+])c1ccccc1 258884451 573698979 /nfs/dbraw/zinc/69/89/79/573698979.db2.gz XXTLPCRNWVFXFR-LBPRGKRZSA-N 2 2 190.290 1.566 10 0 ADAELP C[N@H+]1CCC[C@]1(C[NH3+])c1ccccc1 258884451 573698989 /nfs/dbraw/zinc/69/89/89/573698989.db2.gz XXTLPCRNWVFXFR-LBPRGKRZSA-N 2 2 190.290 1.566 10 0 ADAELP CC[NH2+]C[C@H]([NH2+]C)c1ccc(F)cc1 259168826 573699035 /nfs/dbraw/zinc/69/90/35/573699035.db2.gz DELOXQACKZRLCN-NSHDSACASA-N 2 2 196.269 1.696 10 0 ADAELP Cc1[nH]c(C(C)C)[nH+]c1CC1C[NH2+]C1 257848983 573699073 /nfs/dbraw/zinc/69/90/73/573699073.db2.gz OIKCCTMXGLUHEC-UHFFFAOYSA-N 2 2 193.294 1.603 10 0 ADAELP [NH3+]Cc1cccc2ccc3[nH+]ccn3c12 257847911 573699105 /nfs/dbraw/zinc/69/91/05/573699105.db2.gz DFSSYXRBEBIKLL-UHFFFAOYSA-N 2 2 197.241 1.946 10 0 ADAELP Cc1cccc([C@@](C)([NH3+])C[NH3+])c1 259167922 573699109 /nfs/dbraw/zinc/69/91/09/573699109.db2.gz WEHMXCWZBHJDCM-JTQLQIEISA-N 2 2 164.252 1.128 10 0 ADAELP C[C@@H]([NH3+])c1c[nH+]c(C2CC2)n1C 108250552 573706581 /nfs/dbraw/zinc/70/65/81/573706581.db2.gz NTMKYFKYCOXUBI-ZCFIWIBFSA-N 2 2 165.240 1.317 10 0 ADAELP CCn1c(C[NH3+])c[nH+]c1C1CC1 108250213 573706637 /nfs/dbraw/zinc/70/66/37/573706637.db2.gz SRIXYSWEQCKYHN-UHFFFAOYSA-N 2 2 165.240 1.239 10 0 ADAELP [NH3+]Cc1ccc2c(ccc3[nH+]ccn32)c1 257849676 573706730 /nfs/dbraw/zinc/70/67/30/573706730.db2.gz DPIUGSVMVVFBHX-UHFFFAOYSA-N 2 2 197.241 1.946 10 0 ADAELP CCC[C@@H]([NH3+])C[NH2+]Cc1ccoc1 130770821 573706792 /nfs/dbraw/zinc/70/67/92/573706792.db2.gz RKNCQGXYLQIIDH-SNVBAGLBSA-N 2 2 182.267 1.497 10 0 ADAELP CC[C@](C)([NH3+])C[NH2+]Cc1ccoc1 130761016 573707057 /nfs/dbraw/zinc/70/70/57/573707057.db2.gz JCWOPIQCNWBSBL-JTQLQIEISA-N 2 2 182.267 1.497 10 0 ADAELP C[C@H]([NH3+])c1c[nH+]c(C2CC2)n1C 108250549 573707093 /nfs/dbraw/zinc/70/70/93/573707093.db2.gz NTMKYFKYCOXUBI-LURJTMIESA-N 2 2 165.240 1.317 10 0 ADAELP C[NH2+][C@H](c1ccc(C)o1)[C@H](C)[NH3+] 259561489 573711479 /nfs/dbraw/zinc/71/14/79/573711479.db2.gz VBKRJBVDZOTRJM-CBAPKCEASA-N 2 2 168.240 1.196 10 0 ADAELP Cc1[nH+]c(CC[NH3+])cn1C(C)C 108265084 573711566 /nfs/dbraw/zinc/71/15/66/573711566.db2.gz VQOUCJLNQIMAEI-UHFFFAOYSA-N 2 2 167.256 1.274 10 0 ADAELP [NH3+]C[C@H]1CC[C@@H]2c3ccccc3C[N@H+]12 257850495 573711594 /nfs/dbraw/zinc/71/15/94/573711594.db2.gz OTIQQFDELKUBKD-ZYHUDNBSSA-N 2 2 188.274 1.664 10 0 ADAELP [NH3+]C[C@H]1CC[C@@H]2c3ccccc3C[N@@H+]12 257850495 573711600 /nfs/dbraw/zinc/71/16/00/573711600.db2.gz OTIQQFDELKUBKD-ZYHUDNBSSA-N 2 2 188.274 1.664 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)o1)[C@H](C)[NH3+] 259561491 573711651 /nfs/dbraw/zinc/71/16/51/573711651.db2.gz VBKRJBVDZOTRJM-IONNQARKSA-N 2 2 168.240 1.196 10 0 ADAELP CC[C@H]([NH3+])C[NH2+]Cc1ccoc1 130790299 573711677 /nfs/dbraw/zinc/71/16/77/573711677.db2.gz GCPJASYFKWJASE-VIFPVBQESA-N 2 2 168.240 1.107 10 0 ADAELP CCc1[nH]c(C)c(C2CC[NH2+]CC2)[nH+]1 257854119 573711683 /nfs/dbraw/zinc/71/16/83/573711683.db2.gz PODFTNAWXFBOEC-UHFFFAOYSA-N 2 2 193.294 1.748 10 0 ADAELP CC(C)[NH2+][C@@H](C[NH3+])c1ccc(O)cc1 257850521 573711811 /nfs/dbraw/zinc/71/18/11/573711811.db2.gz OUKCDIBZISKHNT-NSHDSACASA-N 2 2 194.278 1.390 10 0 ADAELP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccoc1 130778462 573711859 /nfs/dbraw/zinc/71/18/59/573711859.db2.gz FMOTUSSZXKNRDI-NSHDSACASA-N 2 2 196.294 1.743 10 0 ADAELP CCC([NH3+])(CC)C[NH2+]Cc1ccoc1 130785193 573711916 /nfs/dbraw/zinc/71/19/16/573711916.db2.gz UGIFSIFTOYXYST-UHFFFAOYSA-N 2 2 196.294 1.887 10 0 ADAELP [NH3+]C1(C[NH2+]Cc2ccoc2)CCCC1 130777813 573712037 /nfs/dbraw/zinc/71/20/37/573712037.db2.gz ZADAZPXRPGJFJZ-UHFFFAOYSA-N 2 2 194.278 1.641 10 0 ADAELP CC(C)c1cn2c([nH+]1)C[C@@H]([NH3+])CC2 83964171 573714315 /nfs/dbraw/zinc/71/43/15/573714315.db2.gz HMMAOERSIWYSNG-QMMMGPOBSA-N 2 2 179.267 1.280 10 0 ADAELP C[C@@H]([NH3+])c1ccccc1N1C=[NH+]CC1 108268017 573715502 /nfs/dbraw/zinc/71/55/02/573715502.db2.gz MMLJNBWTZLNLED-SECBINFHSA-N 2 2 189.262 1.555 10 0 ADAELP CCc1[nH]c(C)c(C[C@H]2CCC[NH2+]2)[nH+]1 257851896 573731440 /nfs/dbraw/zinc/73/14/40/573731440.db2.gz PDQQYEIFEXFJSE-SECBINFHSA-N 2 2 193.294 1.575 10 0 ADAELP C[NH2+][C@H]1CCCC[C@H]1[NH+]1CCC1 108287466 573731760 /nfs/dbraw/zinc/73/17/60/573731760.db2.gz RGZSPBJAMYSWOB-VHSXEESVSA-N 2 2 168.284 1.223 10 0 ADAELP CC[NH2+]C/C(=C/c1c[nH+]cn1C)CC 211826189 573732017 /nfs/dbraw/zinc/73/20/17/573732017.db2.gz CBFKISUTCUITNT-UXBLZVDNSA-N 2 2 193.294 1.823 10 0 ADAELP Cc1cccc(C)c1NC[C@H]([NH3+])C[NH3+] 258895660 573732154 /nfs/dbraw/zinc/73/21/54/573732154.db2.gz GASKTRHOZVWMED-SNVBAGLBSA-N 2 2 193.294 1.001 10 0 ADAELP CCc1c[nH]c([C@@H](CC)C[NH3+])[nH+]1 259173908 573732266 /nfs/dbraw/zinc/73/22/66/573732266.db2.gz VMUUPVAKFOOULW-ZETCQYMHSA-N 2 2 167.256 1.424 10 0 ADAELP CCc1[nH]c(C)c(C[C@@H]2CCC[NH2+]2)[nH+]1 257851897 573732456 /nfs/dbraw/zinc/73/24/56/573732456.db2.gz PDQQYEIFEXFJSE-VIFPVBQESA-N 2 2 193.294 1.575 10 0 ADAELP Cc1cc2c(C[NH3+])[nH+]ccc2[nH]1 238500407 573739120 /nfs/dbraw/zinc/73/91/20/573739120.db2.gz WZPIPYXHRSFGTO-UHFFFAOYSA-N 2 2 161.208 1.330 10 0 ADAELP CC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 108295170 573739233 /nfs/dbraw/zinc/73/92/33/573739233.db2.gz PVPNSXWDQFWJOM-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 108295170 573739239 /nfs/dbraw/zinc/73/92/39/573739239.db2.gz PVPNSXWDQFWJOM-OUAUKWLOSA-N 2 2 182.311 1.598 10 0 ADAELP [NH3+]C[C@H]([NH3+])c1cccc(C2CC2)c1 87012081 573739575 /nfs/dbraw/zinc/73/95/75/573739575.db2.gz XQAJKRNDWNDSMH-NSHDSACASA-N 2 2 176.263 1.523 10 0 ADAELP CC[C@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 108295259 573739642 /nfs/dbraw/zinc/73/96/42/573739642.db2.gz ISPUSXBHRJDPSM-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP CC[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 108295259 573739648 /nfs/dbraw/zinc/73/96/48/573739648.db2.gz ISPUSXBHRJDPSM-WDEREUQCSA-N 2 2 182.311 1.470 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccc(Cl)cc1 258903667 573744566 /nfs/dbraw/zinc/74/45/66/573744566.db2.gz OJXSEMOFKYZUDM-UHFFFAOYSA-N 2 2 198.697 1.649 10 0 ADAELP C[C@H]1Nc2cc[nH+]cc2-n2c[nH+]cc21 238501568 573744638 /nfs/dbraw/zinc/74/46/38/573744638.db2.gz PUCLZDAQDJHBQD-SSDOTTSWSA-N 2 2 186.218 1.754 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1C[C@H]([NH3+])C1CC1 84046427 573744708 /nfs/dbraw/zinc/74/47/08/573744708.db2.gz ZDCBWJYFEKRAJK-SCVCMEIPSA-N 2 2 196.338 1.844 10 0 ADAELP [NH3+]C[C@@H]([NH3+])CNc1cccc(Cl)c1 258901150 573744712 /nfs/dbraw/zinc/74/47/12/573744712.db2.gz GMRUPHQVDLBNEW-MRVPVSSYSA-N 2 2 199.685 1.038 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H]([NH3+])C1CC1 84046427 573744716 /nfs/dbraw/zinc/74/47/16/573744716.db2.gz ZDCBWJYFEKRAJK-SCVCMEIPSA-N 2 2 196.338 1.844 10 0 ADAELP C[NH2+]C[C@@]1(C2CCC2)CCCC[N@@H+]1C 258903041 573744728 /nfs/dbraw/zinc/74/47/28/573744728.db2.gz ZEDXTGYKJPAXHO-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP C[NH2+]C[C@@]1(C2CCC2)CCCC[N@H+]1C 258903041 573744733 /nfs/dbraw/zinc/74/47/33/573744733.db2.gz ZEDXTGYKJPAXHO-GFCCVEGCSA-N 2 2 196.338 1.860 10 0 ADAELP CC[C@@H]([NH3+])C[N@@H+]1C[C@H](C)CC[C@@H]1C 84046547 573744907 /nfs/dbraw/zinc/74/49/07/573744907.db2.gz SPCATMWVIVWNAP-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]([NH3+])C[N@H+]1C[C@H](C)CC[C@@H]1C 84046547 573744910 /nfs/dbraw/zinc/74/49/10/573744910.db2.gz SPCATMWVIVWNAP-OUAUKWLOSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccc(C)c(C)c1 258900944 573745021 /nfs/dbraw/zinc/74/50/21/573745021.db2.gz ODQWDKBTVIAJQW-UHFFFAOYSA-N 2 2 192.306 1.612 10 0 ADAELP CCCC[N@@H+]1CCC[C@@H]([NH3+])C1(C)C 258902624 573746106 /nfs/dbraw/zinc/74/61/06/573746106.db2.gz VBGRKYKHNUHMII-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP CCCC[N@H+]1CCC[C@@H]([NH3+])C1(C)C 258902624 573746112 /nfs/dbraw/zinc/74/61/12/573746112.db2.gz VBGRKYKHNUHMII-SNVBAGLBSA-N 2 2 184.327 1.988 10 0 ADAELP C[NH2+]Cc1ccc(-c2[nH]cc[nH+]2)cc1 108299517 573746165 /nfs/dbraw/zinc/74/61/65/573746165.db2.gz LXKLQGAGDBHNIP-UHFFFAOYSA-N 2 2 187.246 1.796 10 0 ADAELP CCCCn1c[nH+]c(CC[NH2+]C)c1 87016671 573746295 /nfs/dbraw/zinc/74/62/95/573746295.db2.gz MMMFJNRYGHZYIA-UHFFFAOYSA-N 2 2 181.283 1.445 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccco2)C1 87039383 573747769 /nfs/dbraw/zinc/74/77/69/573747769.db2.gz MZYBHTPGBYHHKB-NXEZZACHSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccco2)C1 87039383 573747774 /nfs/dbraw/zinc/74/77/74/573747774.db2.gz MZYBHTPGBYHHKB-NXEZZACHSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+](C2CCCC2)C1 87039834 573747827 /nfs/dbraw/zinc/74/78/27/573747827.db2.gz DQSNNGSMWKEATA-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+](C2CCCC2)C1 87039834 573747829 /nfs/dbraw/zinc/74/78/29/573747829.db2.gz DQSNNGSMWKEATA-VHSXEESVSA-N 2 2 182.311 1.598 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccoc2)C1 87039259 573747842 /nfs/dbraw/zinc/74/78/42/573747842.db2.gz UMGMNQOEJSGKQH-KOLCDFICSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccoc2)C1 87039259 573747846 /nfs/dbraw/zinc/74/78/46/573747846.db2.gz UMGMNQOEJSGKQH-KOLCDFICSA-N 2 2 194.278 1.449 10 0 ADAELP CC(C)[C@H]1CC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 108307358 573748103 /nfs/dbraw/zinc/74/81/03/573748103.db2.gz YXCGZZUWKXGKKG-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]C2)C1 108307358 573748110 /nfs/dbraw/zinc/74/81/10/573748110.db2.gz YXCGZZUWKXGKKG-NWDGAFQWSA-N 2 2 196.338 1.716 10 0 ADAELP C[NH2+][C@H](C)C[N@@H+]1C[C@@H](C)CC[C@H]1C 84046800 573748119 /nfs/dbraw/zinc/74/81/19/573748119.db2.gz PSIDERLIZUJHST-HBNTYKKESA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@H](C)C[N@H+]1C[C@@H](C)CC[C@H]1C 84046800 573748127 /nfs/dbraw/zinc/74/81/27/573748127.db2.gz PSIDERLIZUJHST-HBNTYKKESA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1CC(N)=[NH2+] 84048302 573748140 /nfs/dbraw/zinc/74/81/40/573748140.db2.gz UARLOYNSFUVPLR-SFYZADRCSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1CC(N)=[NH2+] 84048302 573748143 /nfs/dbraw/zinc/74/81/43/573748143.db2.gz UARLOYNSFUVPLR-SFYZADRCSA-N 2 2 169.272 1.043 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccoc2)C1 87039264 573748144 /nfs/dbraw/zinc/74/81/44/573748144.db2.gz UMGMNQOEJSGKQH-GXSJLCMTSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccoc2)C1 87039264 573748151 /nfs/dbraw/zinc/74/81/51/573748151.db2.gz UMGMNQOEJSGKQH-GXSJLCMTSA-N 2 2 194.278 1.449 10 0 ADAELP CC(C)[C@H](C)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87040060 573748213 /nfs/dbraw/zinc/74/82/13/573748213.db2.gz JIMRALQTINZGHZ-VWYCJHECSA-N 2 2 184.327 1.700 10 0 ADAELP CC(C)[C@H](C)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87040060 573748217 /nfs/dbraw/zinc/74/82/17/573748217.db2.gz JIMRALQTINZGHZ-VWYCJHECSA-N 2 2 184.327 1.700 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+](CC2CCC2)C1 87041969 573750849 /nfs/dbraw/zinc/75/08/49/573750849.db2.gz OIZCJOHHEXVTNI-GXSJLCMTSA-N 2 2 182.311 1.456 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CC2CCC2)C1 87041969 573750853 /nfs/dbraw/zinc/75/08/53/573750853.db2.gz OIZCJOHHEXVTNI-GXSJLCMTSA-N 2 2 182.311 1.456 10 0 ADAELP CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+]C2)C1 108307407 573750871 /nfs/dbraw/zinc/75/08/71/573750871.db2.gz IGGIKGQQIZZNOF-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)(C)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]C2)C1 108307407 573750877 /nfs/dbraw/zinc/75/08/77/573750877.db2.gz IGGIKGQQIZZNOF-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@H+](CC2CCCC2)C1 87040133 573750893 /nfs/dbraw/zinc/75/08/93/573750893.db2.gz SFYARFIUEMXBQJ-CMPLNLGQSA-N 2 2 196.338 1.846 10 0 ADAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CC2CCCC2)C1 87040133 573750898 /nfs/dbraw/zinc/75/08/98/573750898.db2.gz SFYARFIUEMXBQJ-CMPLNLGQSA-N 2 2 196.338 1.846 10 0 ADAELP CC(C)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+]C1 108307411 573750932 /nfs/dbraw/zinc/75/09/32/573750932.db2.gz GPKKJTLJLBCKPR-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C1 108307411 573750939 /nfs/dbraw/zinc/75/09/39/573750939.db2.gz GPKKJTLJLBCKPR-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CCC(CC)[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039722 573750959 /nfs/dbraw/zinc/75/09/59/573750959.db2.gz GYBCWESIHVVSEG-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP CCC(CC)[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87039722 573750964 /nfs/dbraw/zinc/75/09/64/573750964.db2.gz GYBCWESIHVVSEG-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccco2)C1 87039379 573751023 /nfs/dbraw/zinc/75/10/23/573751023.db2.gz MZYBHTPGBYHHKB-ZJUUUORDSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccco2)C1 87039379 573751027 /nfs/dbraw/zinc/75/10/27/573751027.db2.gz MZYBHTPGBYHHKB-ZJUUUORDSA-N 2 2 194.278 1.449 10 0 ADAELP CC[C@H](C1CC1)[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87040020 573751144 /nfs/dbraw/zinc/75/11/44/573751144.db2.gz IHTGPZNMIRYNDM-ADEWGFFLSA-N 2 2 196.338 1.844 10 0 ADAELP CC[C@H](C1CC1)[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87040020 573751147 /nfs/dbraw/zinc/75/11/47/573751147.db2.gz IHTGPZNMIRYNDM-ADEWGFFLSA-N 2 2 196.338 1.844 10 0 ADAELP C[C@@H](C1CC1)[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87039751 573751387 /nfs/dbraw/zinc/75/13/87/573751387.db2.gz YFKZFTPHSMHKDK-WCABBAIRSA-N 2 2 182.311 1.454 10 0 ADAELP C[C@@H](C1CC1)[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87039751 573751392 /nfs/dbraw/zinc/75/13/92/573751392.db2.gz YFKZFTPHSMHKDK-WCABBAIRSA-N 2 2 182.311 1.454 10 0 ADAELP Cc1cc[nH+]cc1N[C@@H](C)CCC[NH3+] 308706093 573751419 /nfs/dbraw/zinc/75/14/19/573751419.db2.gz WVOFJPICJNYZPW-JTQLQIEISA-N 2 2 193.294 1.929 10 0 ADAELP C[C@H]1CC[C@H](C)[N@H+](CC(C)(C)[NH3+])C1 84051883 573751529 /nfs/dbraw/zinc/75/15/29/573751529.db2.gz AORFRNLECVGZCV-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CC[C@H](C)[N@@H+](CC(C)(C)[NH3+])C1 84051883 573751533 /nfs/dbraw/zinc/75/15/33/573751533.db2.gz AORFRNLECVGZCV-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1cc[nH+]cc1N[C@H](C)CCC[NH3+] 308706096 573754450 /nfs/dbraw/zinc/75/44/50/573754450.db2.gz WVOFJPICJNYZPW-SNVBAGLBSA-N 2 2 193.294 1.929 10 0 ADAELP Cc1ccc([C@@H]([NH3+])C(C)(C)C[NH3+])o1 259182655 573754706 /nfs/dbraw/zinc/75/47/06/573754706.db2.gz FHUKSLYSWQWOSQ-SECBINFHSA-N 2 2 182.267 1.573 10 0 ADAELP C[C@H]1CCC[C@@H](Cc2[nH+]ccn2C)[NH2+]1 235645277 573754709 /nfs/dbraw/zinc/75/47/09/573754709.db2.gz HEERACHSIIADSR-UWVGGRQHSA-N 2 2 193.294 1.493 10 0 ADAELP C[C@@H]1CC[C@@H](C)[N@H+](CC(C)(C)[NH3+])C1 84051888 573755254 /nfs/dbraw/zinc/75/52/54/573755254.db2.gz AORFRNLECVGZCV-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@@H]1CC[C@@H](C)[N@@H+](CC(C)(C)[NH3+])C1 84051888 573755259 /nfs/dbraw/zinc/75/52/59/573755259.db2.gz AORFRNLECVGZCV-NXEZZACHSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+][C@H](c1cc[nH]c1)[C@@H]1CCCC[NH2+]1 259564830 573755983 /nfs/dbraw/zinc/75/59/83/573755983.db2.gz WJXPTVHYUAHNCU-WDEREUQCSA-N 2 2 193.294 1.417 10 0 ADAELP CC(C)(C)c1c[nH]c(C2(C[NH3+])CC2)[nH+]1 259184386 573756935 /nfs/dbraw/zinc/75/69/35/573756935.db2.gz WIBJQLSCJLSPRQ-UHFFFAOYSA-N 2 2 193.294 1.698 10 0 ADAELP C[NH2+][C@@H](c1cc[nH]c1)[C@@H]1CCCC[NH2+]1 259564827 573756955 /nfs/dbraw/zinc/75/69/55/573756955.db2.gz WJXPTVHYUAHNCU-QWRGUYRKSA-N 2 2 193.294 1.417 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@H+]1CC(C)(C)[NH3+] 84051880 573757088 /nfs/dbraw/zinc/75/70/88/573757088.db2.gz AORFRNLECVGZCV-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CC[C@@H](C)C[N@@H+]1CC(C)(C)[NH3+] 84051880 573757091 /nfs/dbraw/zinc/75/70/91/573757091.db2.gz AORFRNLECVGZCV-ZJUUUORDSA-N 2 2 184.327 1.844 10 0 ADAELP C[NH2+][C@@H](c1cc[nH]c1)[C@H]1CCCC[NH2+]1 259564823 573757174 /nfs/dbraw/zinc/75/71/74/573757174.db2.gz WJXPTVHYUAHNCU-MNOVXSKESA-N 2 2 193.294 1.417 10 0 ADAELP C[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)CC[C@H]1C 84054040 573757293 /nfs/dbraw/zinc/75/72/93/573757293.db2.gz SKDKEBKZNNKHBF-AXFHLTTASA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+]C[C@H](C)[N@H+]1C[C@@H](C)CC[C@H]1C 84054040 573757304 /nfs/dbraw/zinc/75/73/04/573757304.db2.gz SKDKEBKZNNKHBF-AXFHLTTASA-N 2 2 184.327 1.715 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@H+](CC(C)(C)[NH3+])C1 84051891 573757329 /nfs/dbraw/zinc/75/73/29/573757329.db2.gz AORFRNLECVGZCV-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]1CC[C@@H](C)[N@@H+](CC(C)(C)[NH3+])C1 84051891 573757339 /nfs/dbraw/zinc/75/73/39/573757339.db2.gz AORFRNLECVGZCV-VHSXEESVSA-N 2 2 184.327 1.844 10 0 ADAELP Cc1ccccc1[C@@H]1C[C@@H]([NH3+])C[N@H+]1C 108340647 573768040 /nfs/dbraw/zinc/76/80/40/573768040.db2.gz OUPXEQNFEBYFHC-PWSUYJOCSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C 108340647 573768051 /nfs/dbraw/zinc/76/80/51/573768051.db2.gz OUPXEQNFEBYFHC-PWSUYJOCSA-N 2 2 190.290 1.699 10 0 ADAELP [NH3+]C[C@@H]1CCc2[nH+]cccc2C1 84248793 573768288 /nfs/dbraw/zinc/76/82/88/573768288.db2.gz CIZDGWYMEXISJW-MRVPVSSYSA-N 2 2 162.236 1.145 10 0 ADAELP C[C@@H](C[NH3+])CCN(C)c1cccc[nH+]1 258928336 573768370 /nfs/dbraw/zinc/76/83/70/573768370.db2.gz PBYYCWATAGAMAT-SNVBAGLBSA-N 2 2 193.294 1.503 10 0 ADAELP Cc1ccccc1[C@@H]1C[C@H]([NH3+])C[N@H+]1C 108340643 573768506 /nfs/dbraw/zinc/76/85/06/573768506.db2.gz OUPXEQNFEBYFHC-JQWIXIFHSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1ccccc1[C@@H]1C[C@H]([NH3+])C[N@@H+]1C 108340643 573768512 /nfs/dbraw/zinc/76/85/12/573768512.db2.gz OUPXEQNFEBYFHC-JQWIXIFHSA-N 2 2 190.290 1.699 10 0 ADAELP Cc1cc([C@@H]2CCC[C@H]2[NH3+])c[nH+]c1N 238509315 573768558 /nfs/dbraw/zinc/76/85/58/573768558.db2.gz KYWLWZLAMUKKQG-VHSXEESVSA-N 2 2 191.278 1.567 10 0 ADAELP [NH3+]C[C@H]1CCc2[nH+]cccc2C1 84248792 573768643 /nfs/dbraw/zinc/76/86/43/573768643.db2.gz CIZDGWYMEXISJW-QMMMGPOBSA-N 2 2 162.236 1.145 10 0 ADAELP Cc1c[nH+]cc(N[C@@H](C)CCC[NH3+])c1 308711147 573769546 /nfs/dbraw/zinc/76/95/46/573769546.db2.gz YUWJTNZHVIAIJE-JTQLQIEISA-N 2 2 193.294 1.929 10 0 ADAELP CC[C@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 127078255 573769657 /nfs/dbraw/zinc/76/96/57/573769657.db2.gz MHLVHKLJGPJDMV-IUCAKERBSA-N 2 2 188.340 1.080 10 0 ADAELP CC1(C)C[C@@H]([NH2+]Cc2cc[nH]c2)C[NH2+]1 258935085 573773324 /nfs/dbraw/zinc/77/33/24/573773324.db2.gz XWPFMYQSEFQQQB-SNVBAGLBSA-N 2 2 193.294 1.245 10 0 ADAELP C[C@]12CCCC[C@H]1[NH2+]C[NH2+]C2 238511733 573773358 /nfs/dbraw/zinc/77/33/58/573773358.db2.gz IJGZSWZGARGIFA-RKDXNWHRSA-N 2 2 154.257 1.086 10 0 ADAELP C[NH2+]C[C@@H]([NH2+]C)c1cccc(OC)c1 259179427 573773393 /nfs/dbraw/zinc/77/33/93/573773393.db2.gz CQCLIZQZISOWJA-LLVKDONJSA-N 2 2 194.278 1.175 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]C1 84126089 573774976 /nfs/dbraw/zinc/77/49/76/573774976.db2.gz RXYUZJGOUXZXHW-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1[nH]c(C)c(C[C@@H]2CCCC[NH2+]2)[nH+]1 257874358 573774998 /nfs/dbraw/zinc/77/49/98/573774998.db2.gz UEZWQXMZVVIRSJ-JTQLQIEISA-N 2 2 193.294 1.711 10 0 ADAELP Cc1cc([C@@H]2CC[C@@H]([NH3+])C2)cc[nH+]1 238511574 573775050 /nfs/dbraw/zinc/77/50/50/573775050.db2.gz ZEEBMPZQFKNADU-MWLCHTKSSA-N 2 2 176.263 1.985 10 0 ADAELP Cc1[nH]c(C)c(C[C@H]2CCCC[NH2+]2)[nH+]1 257874360 573775401 /nfs/dbraw/zinc/77/54/01/573775401.db2.gz UEZWQXMZVVIRSJ-SNVBAGLBSA-N 2 2 193.294 1.711 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 84125660 573775582 /nfs/dbraw/zinc/77/55/82/573775582.db2.gz SYMOSWKCNJRCJE-VWYCJHECSA-N 2 2 184.327 1.843 10 0 ADAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 84125660 573775589 /nfs/dbraw/zinc/77/55/89/573775589.db2.gz SYMOSWKCNJRCJE-VWYCJHECSA-N 2 2 184.327 1.843 10 0 ADAELP C[NH2+][C@@H](c1ccccc1F)C1([NH3+])CC1 259179182 573775614 /nfs/dbraw/zinc/77/56/14/573775614.db2.gz JQUIRNMMFYQHMY-JTQLQIEISA-N 2 2 194.253 1.578 10 0 ADAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCC[NH2+]C1 84126089 573774969 /nfs/dbraw/zinc/77/49/69/573774969.db2.gz RXYUZJGOUXZXHW-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP Cc1[nH]c(C[NH2+][C@@H]2C[C@@H]2C2CC2)c[nH+]1 308737895 573781932 /nfs/dbraw/zinc/78/19/32/573781932.db2.gz MPBKBCLCEZADQW-GHMZBOCLSA-N 2 2 191.278 1.606 10 0 ADAELP Cc1[nH]c(C[NH2+][C@H]2C[C@H]2C2CC2)c[nH+]1 308737904 573783986 /nfs/dbraw/zinc/78/39/86/573783986.db2.gz MPBKBCLCEZADQW-QWRGUYRKSA-N 2 2 191.278 1.606 10 0 ADAELP CC[C@H](C)[N@H+](CC)CC(C)(C)[NH3+] 40925900 573787281 /nfs/dbraw/zinc/78/72/81/573787281.db2.gz CVLYVXKJFBGZAJ-VIFPVBQESA-N 2 2 172.316 1.844 10 0 ADAELP CC[C@H](C)[N@@H+](CC)CC(C)(C)[NH3+] 40925900 573787288 /nfs/dbraw/zinc/78/72/88/573787288.db2.gz CVLYVXKJFBGZAJ-VIFPVBQESA-N 2 2 172.316 1.844 10 0 ADAELP Cc1nc2cc([C@@H]([NH3+])C[NH3+])ccc2o1 259186007 573787352 /nfs/dbraw/zinc/78/73/52/573787352.db2.gz XONZTILMRYRZOL-QMMMGPOBSA-N 2 2 191.234 1.095 10 0 ADAELP CCC(CC)[N@H+](C)CC(C)(C)[NH3+] 40925973 573787563 /nfs/dbraw/zinc/78/75/63/573787563.db2.gz CIPACJZMHQEOST-UHFFFAOYSA-N 2 2 172.316 1.844 10 0 ADAELP CCC(CC)[N@@H+](C)CC(C)(C)[NH3+] 40925973 573787569 /nfs/dbraw/zinc/78/75/69/573787569.db2.gz CIPACJZMHQEOST-UHFFFAOYSA-N 2 2 172.316 1.844 10 0 ADAELP Cc1[nH]c(C[C@H]2CCC[NH2+]C2)c[nH+]1 238517798 573787751 /nfs/dbraw/zinc/78/77/51/573787751.db2.gz BFSQGNFAHYHLIL-SECBINFHSA-N 2 2 179.267 1.260 10 0 ADAELP C[C@]([NH3+])(C[NH3+])c1ccc2c(c1)CCC2 258945279 573794181 /nfs/dbraw/zinc/79/41/81/573794181.db2.gz AJWYRJGVXCMMOX-LBPRGKRZSA-N 2 2 190.290 1.308 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)C1 715356811 573794667 /nfs/dbraw/zinc/79/46/67/573794667.db2.gz QZSCUQLZKBOLNE-WDEREUQCSA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CC3)C1 715356811 573794673 /nfs/dbraw/zinc/79/46/73/573794673.db2.gz QZSCUQLZKBOLNE-WDEREUQCSA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC23CC3)C1 715356801 573795047 /nfs/dbraw/zinc/79/50/47/573795047.db2.gz QZSCUQLZKBOLNE-GHMZBOCLSA-N 2 2 194.322 1.611 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC23CC3)C1 715356801 573795055 /nfs/dbraw/zinc/79/50/55/573795055.db2.gz QZSCUQLZKBOLNE-GHMZBOCLSA-N 2 2 194.322 1.611 10 0 ADAELP C[C@@]([NH3+])(C[NH3+])c1ccc2c(c1)CCC2 258945275 573795266 /nfs/dbraw/zinc/79/52/66/573795266.db2.gz AJWYRJGVXCMMOX-GFCCVEGCSA-N 2 2 190.290 1.308 10 0 ADAELP CC[C@H](C[NH3+])CN(C)c1cccc[nH+]1 258949483 573795504 /nfs/dbraw/zinc/79/55/04/573795504.db2.gz JKOOGOBYCVHHRS-SNVBAGLBSA-N 2 2 193.294 1.503 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccc(C)cc1C 258945555 573795645 /nfs/dbraw/zinc/79/56/45/573795645.db2.gz UBQJWGKISSOWNK-UHFFFAOYSA-N 2 2 192.306 1.612 10 0 ADAELP CC[C@@H](C[NH2+]CCC(C)C)[NH+](C)C 308442555 573796116 /nfs/dbraw/zinc/79/61/16/573796116.db2.gz ZMDBCAUXTHXZFG-NSHDSACASA-N 2 2 186.343 1.962 10 0 ADAELP Cc1ccc(N2CC[C@H]([NH3+])C2)c(C)[nH+]1 87152434 573803901 /nfs/dbraw/zinc/80/39/01/573803901.db2.gz VAIFRISXHWYTRS-JTQLQIEISA-N 2 2 191.278 1.236 10 0 ADAELP Cc1c([C@H]([NH3+])C[NH3+])ccc2c1CCC2 238515990 573803908 /nfs/dbraw/zinc/80/39/08/573803908.db2.gz GKCPKYOBKIWCDB-GFCCVEGCSA-N 2 2 190.290 1.442 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1CNc1cccc[nH+]1 84235327 573804140 /nfs/dbraw/zinc/80/41/40/573804140.db2.gz KPELZBOJQJYJMM-VHSXEESVSA-N 2 2 191.278 1.621 10 0 ADAELP Cc1ccc(N[C@@H]2CC[NH2+]C2)c(C)[nH+]1 87151751 573804410 /nfs/dbraw/zinc/80/44/10/573804410.db2.gz MOICBUNMGTYLTD-SNVBAGLBSA-N 2 2 191.278 1.472 10 0 ADAELP COCCCCn1c(C[NH3+])c[nH+]c1C 131280927 573805227 /nfs/dbraw/zinc/80/52/27/573805227.db2.gz IAMUHBMYBSYSNV-UHFFFAOYSA-N 2 2 197.282 1.077 10 0 ADAELP C[C@H]1C[C@@]1(C)C[NH2+]CC1([NH+](C)C)CC1 714747131 573805319 /nfs/dbraw/zinc/80/53/19/573805319.db2.gz SJCZJRNPBGLMRD-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1CNc1cccc[nH+]1 84235316 573804740 /nfs/dbraw/zinc/80/47/40/573804740.db2.gz KPELZBOJQJYJMM-UWVGGRQHSA-N 2 2 191.278 1.621 10 0 ADAELP C[NH2+][C@@H](C)CN1CCc2cc[nH+]cc21 258131663 573804894 /nfs/dbraw/zinc/80/48/94/573804894.db2.gz NVNXJBFDXPOLQZ-VIFPVBQESA-N 2 2 191.278 1.052 10 0 ADAELP C[C@@H]1C[C@]1(C)C[NH2+]CC1([NH+](C)C)CC1 714747129 573805102 /nfs/dbraw/zinc/80/51/02/573805102.db2.gz SJCZJRNPBGLMRD-GHMZBOCLSA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+]C[C@H]1CCC[C@@H]1Oc1cc[nH+]cc1 84241124 573805144 /nfs/dbraw/zinc/80/51/44/573805144.db2.gz UVPUAUVQJDJMJJ-KOLCDFICSA-N 2 2 192.262 1.588 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1c[nH]c2ccccc12 259196232 573806911 /nfs/dbraw/zinc/80/69/11/573806911.db2.gz FWWFHWKKBQZEMG-SNVBAGLBSA-N 2 2 189.262 1.387 10 0 ADAELP CCC[NH2+]CC[N@H+](C)C1CCC1 127310992 573807176 /nfs/dbraw/zinc/80/71/76/573807176.db2.gz CEGBCTRPVYRJDX-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)C1CCC1 127310992 573807180 /nfs/dbraw/zinc/80/71/80/573807180.db2.gz CEGBCTRPVYRJDX-UHFFFAOYSA-N 2 2 170.300 1.470 10 0 ADAELP C[NH2+]C[NH2+]CCc1cccs1 258959935 573807223 /nfs/dbraw/zinc/80/72/23/573807223.db2.gz VQSWZBUICLUPNX-UHFFFAOYSA-N 2 2 170.281 1.057 10 0 ADAELP CCCc1c[nH]c([C@@H](C)C[NH3+])[nH+]1 259195747 573807276 /nfs/dbraw/zinc/80/72/76/573807276.db2.gz XGOYTDJGDNXPEP-ZETCQYMHSA-N 2 2 167.256 1.424 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1c[nH]c2ccccc12 259196226 573807381 /nfs/dbraw/zinc/80/73/81/573807381.db2.gz FWWFHWKKBQZEMG-JTQLQIEISA-N 2 2 189.262 1.387 10 0 ADAELP C[N@@H+]1CC[C@@]2(CF)CCC[NH2+][C@@H]2C1 257879023 573807384 /nfs/dbraw/zinc/80/73/84/573807384.db2.gz LRBNCDMVBOJIPN-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP CCCC[NH2+]CCn1cc[nH+]c1 41041920 573807385 /nfs/dbraw/zinc/80/73/85/573807385.db2.gz JFRNYGCYPBIUQE-UHFFFAOYSA-N 2 2 167.256 1.273 10 0 ADAELP C[N@H+]1CC[C@@]2(CF)CCC[NH2+][C@@H]2C1 257879023 573807386 /nfs/dbraw/zinc/80/73/86/573807386.db2.gz LRBNCDMVBOJIPN-NXEZZACHSA-N 2 2 186.274 1.030 10 0 ADAELP CC[N@H+](C)CC[NH2+][C@H]1CCC1(C)C 393551430 573807398 /nfs/dbraw/zinc/80/73/98/573807398.db2.gz RTQJPHPWCGANCO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CC[N@@H+](C)CC[NH2+][C@H]1CCC1(C)C 393551430 573807405 /nfs/dbraw/zinc/80/74/05/573807405.db2.gz RTQJPHPWCGANCO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP C[NH2+]C[NH2+]CCc1ccccc1F 258956245 573807438 /nfs/dbraw/zinc/80/74/38/573807438.db2.gz VHELYMMKLDOGMU-UHFFFAOYSA-N 2 2 182.242 1.135 10 0 ADAELP CC(C)CC[NH2+]CCn1cc[nH+]c1 41041918 573807452 /nfs/dbraw/zinc/80/74/52/573807452.db2.gz BBYGMURFHTTXSE-UHFFFAOYSA-N 2 2 181.283 1.519 10 0 ADAELP CCCCC[NH2+]CCn1cc[nH+]c1 41042006 573807463 /nfs/dbraw/zinc/80/74/63/573807463.db2.gz RLQADWHIZRSCJE-UHFFFAOYSA-N 2 2 181.283 1.663 10 0 ADAELP CCCc1c[nH]c([C@H](C)C[NH3+])[nH+]1 259195746 573807613 /nfs/dbraw/zinc/80/76/13/573807613.db2.gz XGOYTDJGDNXPEP-SSDOTTSWSA-N 2 2 167.256 1.424 10 0 ADAELP C[N@@H+]1CC[C@]2(CF)CCC[NH2+][C@H]2C1 257879033 573807860 /nfs/dbraw/zinc/80/78/60/573807860.db2.gz LRBNCDMVBOJIPN-UWVGGRQHSA-N 2 2 186.274 1.030 10 0 ADAELP C[N@H+]1CC[C@]2(CF)CCC[NH2+][C@H]2C1 257879033 573807868 /nfs/dbraw/zinc/80/78/68/573807868.db2.gz LRBNCDMVBOJIPN-UWVGGRQHSA-N 2 2 186.274 1.030 10 0 ADAELP Cc1cc(C[C@H]2CCC[NH2+]C2)cc[nH+]1 238529813 573807938 /nfs/dbraw/zinc/80/79/38/573807938.db2.gz AWIHMLFCQUUTKQ-GFCCVEGCSA-N 2 2 190.290 1.932 10 0 ADAELP Cc1cc(C)cc(NC[C@@H]([NH3+])C[NH3+])c1 258955766 573808214 /nfs/dbraw/zinc/80/82/14/573808214.db2.gz MCEDDZCZVBWIBV-JTQLQIEISA-N 2 2 193.294 1.001 10 0 ADAELP CC[NH2+]CCn1c[nH+]c2c1CCCC2 127284059 573810369 /nfs/dbraw/zinc/81/03/69/573810369.db2.gz HGJKJBKNLIPQDJ-UHFFFAOYSA-N 2 2 193.294 1.371 10 0 ADAELP C[N@@H+]1CC[C@]2(CF)CCC[NH2+][C@@H]2C1 257879046 573810391 /nfs/dbraw/zinc/81/03/91/573810391.db2.gz LRBNCDMVBOJIPN-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP Cc1ccc([C@H]([NH3+])C2(C[NH3+])CCC2)o1 259196115 573810392 /nfs/dbraw/zinc/81/03/92/573810392.db2.gz DFYXNAZVSKELSF-JTQLQIEISA-N 2 2 194.278 1.717 10 0 ADAELP C[N@H+]1CC[C@]2(CF)CCC[NH2+][C@@H]2C1 257879046 573810395 /nfs/dbraw/zinc/81/03/95/573810395.db2.gz LRBNCDMVBOJIPN-ZJUUUORDSA-N 2 2 186.274 1.030 10 0 ADAELP C[N@@H+]1CCCC[C@H]1c1cnc(C[NH3+])o1 107236540 573810420 /nfs/dbraw/zinc/81/04/20/573810420.db2.gz GZHGMIDEBPSIPT-QMMMGPOBSA-N 2 2 195.266 1.290 10 0 ADAELP C[N@H+]1CCCC[C@H]1c1cnc(C[NH3+])o1 107236540 573810426 /nfs/dbraw/zinc/81/04/26/573810426.db2.gz GZHGMIDEBPSIPT-QMMMGPOBSA-N 2 2 195.266 1.290 10 0 ADAELP C[N@@H+]1CC[C@@]2(CF)CCC[NH2+][C@H]2C1 257879041 573810741 /nfs/dbraw/zinc/81/07/41/573810741.db2.gz LRBNCDMVBOJIPN-VHSXEESVSA-N 2 2 186.274 1.030 10 0 ADAELP C[N@H+]1CC[C@@]2(CF)CCC[NH2+][C@H]2C1 257879041 573810745 /nfs/dbraw/zinc/81/07/45/573810745.db2.gz LRBNCDMVBOJIPN-VHSXEESVSA-N 2 2 186.274 1.030 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(OC)c(F)c1 259196294 573810891 /nfs/dbraw/zinc/81/08/91/573810891.db2.gz FXILXJMZIOXAFX-VIFPVBQESA-N 2 2 198.241 1.054 10 0 ADAELP Cc1ccccc1[C@H]([NH3+])C1([NH3+])CC1 259622256 573813790 /nfs/dbraw/zinc/81/37/90/573813790.db2.gz XZJMGWLMGRPRJR-JTQLQIEISA-N 2 2 176.263 1.486 10 0 ADAELP CC(C)c1c[nH]c(C2(C[NH3+])CC2)[nH+]1 259200938 573814398 /nfs/dbraw/zinc/81/43/98/573814398.db2.gz XNBNFXGYOIGCFE-UHFFFAOYSA-N 2 2 179.267 1.523 10 0 ADAELP CCC[N@H+](C(C)C)[C@H](C)[C@@H](C)[NH3+] 41053799 573823877 /nfs/dbraw/zinc/82/38/77/573823877.db2.gz RVSKMFOQHTWARO-NXEZZACHSA-N 2 2 172.316 1.843 10 0 ADAELP CCC[N@@H+](C(C)C)[C@H](C)[C@@H](C)[NH3+] 41053799 573823882 /nfs/dbraw/zinc/82/38/82/573823882.db2.gz RVSKMFOQHTWARO-NXEZZACHSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@H]1CCCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053791 573823902 /nfs/dbraw/zinc/82/39/02/573823902.db2.gz JZUULQCRAKAFKZ-VWYCJHECSA-N 2 2 184.327 1.987 10 0 ADAELP CC[C@H]1CCCC[N@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053791 573823905 /nfs/dbraw/zinc/82/39/05/573823905.db2.gz JZUULQCRAKAFKZ-VWYCJHECSA-N 2 2 184.327 1.987 10 0 ADAELP CC[N@H+](CC1CC1)[C@]1(C)CC[NH2+]C1 308754199 573823338 /nfs/dbraw/zinc/82/33/38/573823338.db2.gz VRVAZQAEOKUDOW-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CC[N@@H+](CC1CC1)[C@]1(C)CC[NH2+]C1 308754199 573823343 /nfs/dbraw/zinc/82/33/43/573823343.db2.gz VRVAZQAEOKUDOW-LLVKDONJSA-N 2 2 182.311 1.470 10 0 ADAELP CCC[NH+](CCC)[C@@H](C)[C@H](C)[NH3+] 41053742 573823664 /nfs/dbraw/zinc/82/36/64/573823664.db2.gz LZDNHJVZWAWHCS-UWVGGRQHSA-N 2 2 172.316 1.844 10 0 ADAELP C[C@@H]1CCCc2c[nH+]c(C3C[NH2+]C3)n21 257884610 573823747 /nfs/dbraw/zinc/82/37/47/573823747.db2.gz WANMVXSFMIBJHA-MRVPVSSYSA-N 2 2 191.278 1.467 10 0 ADAELP CC(C)[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053843 573823765 /nfs/dbraw/zinc/82/37/65/573823765.db2.gz AYLJKUDAAIGXDE-UTLUCORTSA-N 2 2 172.316 1.698 10 0 ADAELP CC(C)[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 41053843 573823772 /nfs/dbraw/zinc/82/37/72/573823772.db2.gz AYLJKUDAAIGXDE-UTLUCORTSA-N 2 2 172.316 1.698 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)Cc1cccnc1 41053828 573826144 /nfs/dbraw/zinc/82/61/44/573826144.db2.gz NUIBLBMCFXKPIO-VHSXEESVSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1cccnc1 41053828 573826152 /nfs/dbraw/zinc/82/61/52/573826152.db2.gz NUIBLBMCFXKPIO-VHSXEESVSA-N 2 2 193.294 1.249 10 0 ADAELP CC(C)C[C@H](C)n1cc[nH+]c1CC[NH3+] 308445969 573826321 /nfs/dbraw/zinc/82/63/21/573826321.db2.gz AMEOBDIYSXZXTC-JTQLQIEISA-N 2 2 195.310 1.991 10 0 ADAELP CCC[N@H+](CC[NH3+])Cc1ccccn1 41056615 573826346 /nfs/dbraw/zinc/82/63/46/573826346.db2.gz IBZGZTPGZOVLIH-UHFFFAOYSA-N 2 2 193.294 1.252 10 0 ADAELP CCC[N@@H+](CC[NH3+])Cc1ccccn1 41056615 573826353 /nfs/dbraw/zinc/82/63/53/573826353.db2.gz IBZGZTPGZOVLIH-UHFFFAOYSA-N 2 2 193.294 1.252 10 0 ADAELP CCCC[N@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053760 573826372 /nfs/dbraw/zinc/82/63/72/573826372.db2.gz VCTXHEIJUCFQKU-ZJUUUORDSA-N 2 2 172.316 1.844 10 0 ADAELP CCCC[N@@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053760 573826376 /nfs/dbraw/zinc/82/63/76/573826376.db2.gz VCTXHEIJUCFQKU-ZJUUUORDSA-N 2 2 172.316 1.844 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@H+](C)Cc1cccnc1 41053830 573826416 /nfs/dbraw/zinc/82/64/16/573826416.db2.gz NUIBLBMCFXKPIO-UWVGGRQHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@H]([NH3+])[C@H](C)[N@@H+](C)Cc1cccnc1 41053830 573826424 /nfs/dbraw/zinc/82/64/24/573826424.db2.gz NUIBLBMCFXKPIO-UWVGGRQHSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccncc1 41053832 573826447 /nfs/dbraw/zinc/82/64/47/573826447.db2.gz QHTWGAARXCSUND-VHSXEESVSA-N 2 2 193.294 1.249 10 0 ADAELP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccncc1 41053832 573826453 /nfs/dbraw/zinc/82/64/53/573826453.db2.gz QHTWGAARXCSUND-VHSXEESVSA-N 2 2 193.294 1.249 10 0 ADAELP Cc1[nH+]cn(-c2ccc[nH+]c2N)c1C 238526262 573826569 /nfs/dbraw/zinc/82/65/69/573826569.db2.gz YXDLTBBJMJYOGE-UHFFFAOYSA-N 2 2 188.234 1.466 10 0 ADAELP CC[C@@H](C)[N@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053810 573826586 /nfs/dbraw/zinc/82/65/86/573826586.db2.gz XOVUWADPUAJPPA-BBBLOLIVSA-N 2 2 172.316 1.843 10 0 ADAELP CC[C@@H](C)[N@@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 41053810 573826592 /nfs/dbraw/zinc/82/65/92/573826592.db2.gz XOVUWADPUAJPPA-BBBLOLIVSA-N 2 2 172.316 1.843 10 0 ADAELP Cc1cc([C@H]2CC[C@H]([NH3+])C2)cc[nH+]1 238525734 573826767 /nfs/dbraw/zinc/82/67/67/573826767.db2.gz ZEEBMPZQFKNADU-ONGXEEELSA-N 2 2 176.263 1.985 10 0 ADAELP CC[N@@H+]1CCC[C@@H]1[C@]1(C)CCC[NH2+]1 258151568 573830408 /nfs/dbraw/zinc/83/04/08/573830408.db2.gz KJKMUDCAMOUFQC-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1CCC[C@@H]1[C@]1(C)CCC[NH2+]1 258151568 573830411 /nfs/dbraw/zinc/83/04/11/573830411.db2.gz KJKMUDCAMOUFQC-MNOVXSKESA-N 2 2 182.311 1.613 10 0 ADAELP C[NH2+][C@@H](c1ccncc1)[C@H]1CCC[NH2+]1 259205159 573830492 /nfs/dbraw/zinc/83/04/92/573830492.db2.gz FOLMOPABBFXYFA-MNOVXSKESA-N 2 2 191.278 1.094 10 0 ADAELP C[NH2+]C[C@@H]1CC[NH2+]c2ccc(O)cc21 257885272 573830746 /nfs/dbraw/zinc/83/07/46/573830746.db2.gz WCRRUVRLDDBLBO-QMMMGPOBSA-N 2 2 192.262 1.511 10 0 ADAELP C[NH2+]C[C@H]1CC[NH2+]c2ccc(O)cc21 257885270 573831139 /nfs/dbraw/zinc/83/11/39/573831139.db2.gz WCRRUVRLDDBLBO-MRVPVSSYSA-N 2 2 192.262 1.511 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CCC(F)F)C[N@@H+]1C 393564650 573831847 /nfs/dbraw/zinc/83/18/47/573831847.db2.gz NSQGDTCRNAJWQI-YUMQZZPRSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@H]1C[C@H]([NH2+]CCC(F)F)C[N@H+]1C 393564650 573831853 /nfs/dbraw/zinc/83/18/53/573831853.db2.gz NSQGDTCRNAJWQI-YUMQZZPRSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCC(F)F)C[N@@H+]1C 393564646 573831874 /nfs/dbraw/zinc/83/18/74/573831874.db2.gz NSQGDTCRNAJWQI-SFYZADRCSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@@H]1C[C@H]([NH2+]CCC(F)F)C[N@H+]1C 393564646 573831875 /nfs/dbraw/zinc/83/18/75/573831875.db2.gz NSQGDTCRNAJWQI-SFYZADRCSA-N 2 2 192.253 1.324 10 0 ADAELP [NH3+]CC[NH+]1CCC(c2ccc[nH]2)CC1 259206288 573831916 /nfs/dbraw/zinc/83/19/16/573831916.db2.gz LHYRGQJCQPYEHU-UHFFFAOYSA-N 2 2 193.294 1.153 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CCC(F)F)C[N@@H+]1C 393564643 573831985 /nfs/dbraw/zinc/83/19/85/573831985.db2.gz NSQGDTCRNAJWQI-JGVFFNPUSA-N 2 2 192.253 1.324 10 0 ADAELP C[C@H]1C[C@@H]([NH2+]CCC(F)F)C[N@H+]1C 393564643 573831994 /nfs/dbraw/zinc/83/19/94/573831994.db2.gz NSQGDTCRNAJWQI-JGVFFNPUSA-N 2 2 192.253 1.324 10 0 ADAELP CC[N@@H+]1CCC[C@@H]1[C@@]1(C)CCC[NH2+]1 258151565 573832241 /nfs/dbraw/zinc/83/22/41/573832241.db2.gz KJKMUDCAMOUFQC-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CC[N@H+]1CCC[C@@H]1[C@@]1(C)CCC[NH2+]1 258151565 573832246 /nfs/dbraw/zinc/83/22/46/573832246.db2.gz KJKMUDCAMOUFQC-GHMZBOCLSA-N 2 2 182.311 1.613 10 0 ADAELP CCC[N@@H+](C1CC1)[C@@H](C)C(N)=[NH2+] 43528502 573835560 /nfs/dbraw/zinc/83/55/60/573835560.db2.gz IXLZVQACQZZODB-ZETCQYMHSA-N 2 2 169.272 1.185 10 0 ADAELP CCC[N@H+](C1CC1)[C@@H](C)C(N)=[NH2+] 43528502 573835568 /nfs/dbraw/zinc/83/55/68/573835568.db2.gz IXLZVQACQZZODB-ZETCQYMHSA-N 2 2 169.272 1.185 10 0 ADAELP C[N@@H+]1CCC[C@@]1(C[NH3+])CC(F)F 257887246 573835817 /nfs/dbraw/zinc/83/58/17/573835817.db2.gz MSYPBIPPSOZWJB-QMMMGPOBSA-N 2 2 178.226 1.065 10 0 ADAELP C[N@H+]1CCC[C@@]1(C[NH3+])CC(F)F 257887246 573835823 /nfs/dbraw/zinc/83/58/23/573835823.db2.gz MSYPBIPPSOZWJB-QMMMGPOBSA-N 2 2 178.226 1.065 10 0 ADAELP CC(C)(C)OCn1cc[nH+]c1CC[NH3+] 308451374 573836023 /nfs/dbraw/zinc/83/60/23/573836023.db2.gz BNYWVNHRURZZSQ-UHFFFAOYSA-N 2 2 197.282 1.157 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 258966120 573837382 /nfs/dbraw/zinc/83/73/82/573837382.db2.gz NDIRNLUECSHIJD-MNOVXSKESA-N 2 2 191.278 1.051 10 0 ADAELP C[N@@H+]1CCC[C@]1(C[NH3+])CC(F)F 257887243 573837389 /nfs/dbraw/zinc/83/73/89/573837389.db2.gz MSYPBIPPSOZWJB-MRVPVSSYSA-N 2 2 178.226 1.065 10 0 ADAELP C[N@H+]1CCC[C@]1(C[NH3+])CC(F)F 257887243 573837394 /nfs/dbraw/zinc/83/73/94/573837394.db2.gz MSYPBIPPSOZWJB-MRVPVSSYSA-N 2 2 178.226 1.065 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1 258966119 573837502 /nfs/dbraw/zinc/83/75/02/573837502.db2.gz NDIRNLUECSHIJD-GHMZBOCLSA-N 2 2 191.278 1.051 10 0 ADAELP C[C@H]1C[N@H+](C[C@@H]2CC2(C)C)CCC[NH2+]1 235659641 573837728 /nfs/dbraw/zinc/83/77/28/573837728.db2.gz ZXXFBEPYENPBOO-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H]1C[N@@H+](C[C@@H]2CC2(C)C)CCC[NH2+]1 235659641 573837732 /nfs/dbraw/zinc/83/77/32/573837732.db2.gz ZXXFBEPYENPBOO-QWRGUYRKSA-N 2 2 196.338 1.716 10 0 ADAELP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccnc1 258966122 573837353 /nfs/dbraw/zinc/83/73/53/573837353.db2.gz NDIRNLUECSHIJD-WDEREUQCSA-N 2 2 191.278 1.051 10 0 ADAELP [NH3+][C@@H](c1cccnc1)[C@@H]1CCCC[NH2+]1 259207391 573842496 /nfs/dbraw/zinc/84/24/96/573842496.db2.gz GIOMIXYGLPDFIM-QWRGUYRKSA-N 2 2 191.278 1.224 10 0 ADAELP Cc1[nH+]cccc1CCC1([NH3+])CC1 257887304 573841990 /nfs/dbraw/zinc/84/19/90/573841990.db2.gz MVCDAZGEYZGZDD-UHFFFAOYSA-N 2 2 176.263 1.814 10 0 ADAELP Cn1c(CCC[NH3+])c[nH+]c1C(C)(C)F 214985918 573842312 /nfs/dbraw/zinc/84/23/12/573842312.db2.gz PMDPYYWLUJSHPQ-UHFFFAOYSA-N 2 2 199.273 1.516 10 0 ADAELP [NH3+][C@H]1CCCC[C@H]1C[NH2+]CC(F)F 147811190 573846453 /nfs/dbraw/zinc/84/64/53/573846453.db2.gz RLPQSHUQKOALBE-YUMQZZPRSA-N 2 2 192.253 1.359 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCC(C)(C)C1 87252191 573846476 /nfs/dbraw/zinc/84/64/76/573846476.db2.gz HIYCQPDTTPHOHQ-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCC(C)(C)C1 87252191 573846482 /nfs/dbraw/zinc/84/64/82/573846482.db2.gz HIYCQPDTTPHOHQ-RKDXNWHRSA-N 2 2 170.300 1.454 10 0 ADAELP CCC[C@](C)([NH3+])C[N@@H+]1CC[C@H](F)C1 689911418 573846504 /nfs/dbraw/zinc/84/65/04/573846504.db2.gz DNYCEXFYVNSUFJ-UWVGGRQHSA-N 2 2 188.290 1.548 10 0 ADAELP CCC[C@](C)([NH3+])C[N@H+]1CC[C@H](F)C1 689911418 573846508 /nfs/dbraw/zinc/84/65/08/573846508.db2.gz DNYCEXFYVNSUFJ-UWVGGRQHSA-N 2 2 188.290 1.548 10 0 ADAELP [NH3+]C[C@H]([NH3+])CNc1ccccc1Cl 258971025 573846622 /nfs/dbraw/zinc/84/66/22/573846622.db2.gz NQMNFEASGJFNDQ-ZETCQYMHSA-N 2 2 199.685 1.038 10 0 ADAELP C[C@@H]([NH3+])CCc1cn2ccccc2[nH+]1 84349458 573846731 /nfs/dbraw/zinc/84/67/31/573846731.db2.gz AGDFXORUIOHNMW-SECBINFHSA-N 2 2 189.262 1.614 10 0 ADAELP C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C[NH3+] 257888555 573847879 /nfs/dbraw/zinc/84/78/79/573847879.db2.gz WQBQHCXUGCEHOT-RYUDHWBXSA-N 2 2 190.290 1.433 10 0 ADAELP C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C[NH3+] 257888555 573847883 /nfs/dbraw/zinc/84/78/83/573847883.db2.gz WQBQHCXUGCEHOT-RYUDHWBXSA-N 2 2 190.290 1.433 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@H+](CC)C1CC1 43545518 573847261 /nfs/dbraw/zinc/84/72/61/573847261.db2.gz DKAIDXMBSYZPFH-QMMMGPOBSA-N 2 2 169.272 1.185 10 0 ADAELP CC[C@@H](C(N)=[NH2+])[N@@H+](CC)C1CC1 43545518 573847268 /nfs/dbraw/zinc/84/72/68/573847268.db2.gz DKAIDXMBSYZPFH-QMMMGPOBSA-N 2 2 169.272 1.185 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCC(C)(C)C1 87252111 573847438 /nfs/dbraw/zinc/84/74/38/573847438.db2.gz JPAAGIBHRYUTLQ-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCC(C)(C)C1 87252111 573847442 /nfs/dbraw/zinc/84/74/42/573847442.db2.gz JPAAGIBHRYUTLQ-UWVGGRQHSA-N 2 2 184.327 1.844 10 0 ADAELP C[C@H]([NH3+])CCc1cn2ccccc2[nH+]1 84349455 573847460 /nfs/dbraw/zinc/84/74/60/573847460.db2.gz AGDFXORUIOHNMW-VIFPVBQESA-N 2 2 189.262 1.614 10 0 ADAELP Cc1[nH]cc(-c2csc(C[NH3+])c2)[nH+]1 238537827 573847688 /nfs/dbraw/zinc/84/76/88/573847688.db2.gz UMOJKKHMEUZBPX-UHFFFAOYSA-N 2 2 193.275 1.905 10 0 ADAELP Cc1cc(C)c([C@@H]([NH3+])C(C)C)c(N)[nH+]1 238167387 573858746 /nfs/dbraw/zinc/85/87/46/573858746.db2.gz GEBZICQJHHFNQA-JTQLQIEISA-N 2 2 193.294 1.936 10 0 ADAELP C[N@@H+]1CC[C@@]([NH3+])(c2cccs2)C1 84337140 573858757 /nfs/dbraw/zinc/85/87/57/573858757.db2.gz VPSKXQDHAAXHDY-VIFPVBQESA-N 2 2 182.292 1.238 10 0 ADAELP C[N@H+]1CC[C@@]([NH3+])(c2cccs2)C1 84337140 573858771 /nfs/dbraw/zinc/85/87/71/573858771.db2.gz VPSKXQDHAAXHDY-VIFPVBQESA-N 2 2 182.292 1.238 10 0 ADAELP C[NH2+]CCC[NH2+]Cc1nc(C)cs1 43606521 573859052 /nfs/dbraw/zinc/85/90/52/573859052.db2.gz CXCAHDMCHOPBOD-UHFFFAOYSA-N 2 2 199.323 1.151 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc([C@@H]2C[C@@H]2C)o1 224304843 573861826 /nfs/dbraw/zinc/86/18/26/573861826.db2.gz KYICOLLVUKCITE-YIZRAAEISA-N 2 2 194.278 1.622 10 0 ADAELP C[N@@H+]1CC[C@@H]([C@H]([NH3+])c2ccco2)C1 84335549 573861966 /nfs/dbraw/zinc/86/19/66/573861966.db2.gz NZUUUWGDCPKMPP-SCZZXKLOSA-N 2 2 180.251 1.231 10 0 ADAELP C[N@H+]1CC[C@@H]([C@H]([NH3+])c2ccco2)C1 84335549 573861969 /nfs/dbraw/zinc/86/19/69/573861969.db2.gz NZUUUWGDCPKMPP-SCZZXKLOSA-N 2 2 180.251 1.231 10 0 ADAELP CC[N@H+](C)C[C@@H]([NH2+]C)C(C)(C)C 43819867 573862006 /nfs/dbraw/zinc/86/20/06/573862006.db2.gz LZRIINQDUGHTIC-SECBINFHSA-N 2 2 172.316 1.572 10 0 ADAELP CC[N@@H+](C)C[C@@H]([NH2+]C)C(C)(C)C 43819867 573862012 /nfs/dbraw/zinc/86/20/12/573862012.db2.gz LZRIINQDUGHTIC-SECBINFHSA-N 2 2 172.316 1.572 10 0 ADAELP CC/C(=C/c1c[nH+]cn1C)C[NH2+]C 211739118 573862202 /nfs/dbraw/zinc/86/22/02/573862202.db2.gz XVHNCZDTZMXBJI-UITAMQMPSA-N 2 2 179.267 1.433 10 0 ADAELP Cc1c[nH+]ccc1[C@H]1CC[C@H]([NH3+])C1 238546127 573862221 /nfs/dbraw/zinc/86/22/21/573862221.db2.gz LTGMSQSSDLUQGF-UWVGGRQHSA-N 2 2 176.263 1.985 10 0 ADAELP CC[NH+](CC)[C@H]1CCCC[C@@H]1[NH2+]C 43809053 573862305 /nfs/dbraw/zinc/86/23/05/573862305.db2.gz CRVFSFXQSOGDFL-QWRGUYRKSA-N 2 2 184.327 1.859 10 0 ADAELP CC[NH2+][C@H](C[N@H+](C)CC)C(C)(C)C 43820320 573865007 /nfs/dbraw/zinc/86/50/07/573865007.db2.gz KKTCUEPGSFOORU-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP CC[NH2+][C@H](C[N@@H+](C)CC)C(C)(C)C 43820320 573865012 /nfs/dbraw/zinc/86/50/12/573865012.db2.gz KKTCUEPGSFOORU-SNVBAGLBSA-N 2 2 186.343 1.962 10 0 ADAELP C[N@@H+]1CCCC[C@H]1c1cc(C[NH3+])n[nH]1 259215532 573865220 /nfs/dbraw/zinc/86/52/20/573865220.db2.gz LLMNCSKVWQIXTI-JTQLQIEISA-N 2 2 194.282 1.025 10 0 ADAELP C[N@H+]1CCCC[C@H]1c1cc(C[NH3+])n[nH]1 259215532 573865227 /nfs/dbraw/zinc/86/52/27/573865227.db2.gz LLMNCSKVWQIXTI-JTQLQIEISA-N 2 2 194.282 1.025 10 0 ADAELP C[N@H+](CC(N)=[NH2+])C1CCC(C)(C)CC1 87287503 573865280 /nfs/dbraw/zinc/86/52/80/573865280.db2.gz AKDYVYZSIZJPSE-UHFFFAOYSA-N 2 2 197.326 1.823 10 0 ADAELP C[N@@H+](CC(N)=[NH2+])C1CCC(C)(C)CC1 87287503 573865286 /nfs/dbraw/zinc/86/52/86/573865286.db2.gz AKDYVYZSIZJPSE-UHFFFAOYSA-N 2 2 197.326 1.823 10 0 ADAELP C[NH2+][C@@H]1CC[N@@H+](C(C(C)C)C(C)C)C1 308457533 573865603 /nfs/dbraw/zinc/86/56/03/573865603.db2.gz FHPGLNYVMXVINI-LLVKDONJSA-N 2 2 198.354 1.961 10 0 ADAELP C[NH2+][C@@H]1CC[N@H+](C(C(C)C)C(C)C)C1 308457533 573865608 /nfs/dbraw/zinc/86/56/08/573865608.db2.gz FHPGLNYVMXVINI-LLVKDONJSA-N 2 2 198.354 1.961 10 0 ADAELP CC[NH+](CC)[C@H]1CCCC[C@H]1[NH2+]C 43809057 573865675 /nfs/dbraw/zinc/86/56/75/573865675.db2.gz CRVFSFXQSOGDFL-MNOVXSKESA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CC[C@]([NH3+])(Cc2cccs2)C1 84360031 573865983 /nfs/dbraw/zinc/86/59/83/573865983.db2.gz QCFSRDNLZDMYLC-JTQLQIEISA-N 2 2 196.319 1.324 10 0 ADAELP C[N@H+]1CC[C@]([NH3+])(Cc2cccs2)C1 84360031 573865989 /nfs/dbraw/zinc/86/59/89/573865989.db2.gz QCFSRDNLZDMYLC-JTQLQIEISA-N 2 2 196.319 1.324 10 0 ADAELP C[NH2+]C[C@@H]([NH3+])c1ccc(F)c(C)c1 259215827 573866001 /nfs/dbraw/zinc/86/60/01/573866001.db2.gz GQJIAPVTGASFBJ-SNVBAGLBSA-N 2 2 182.242 1.353 10 0 ADAELP CSC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 127376550 573866018 /nfs/dbraw/zinc/86/60/18/573866018.db2.gz WUNDXPIOYPNFAS-BDAKNGLRSA-N 2 2 188.340 1.080 10 0 ADAELP CC[N@H+](C)C[C@H]([NH2+]C)C(C)(C)C 43819864 573866281 /nfs/dbraw/zinc/86/62/81/573866281.db2.gz LZRIINQDUGHTIC-VIFPVBQESA-N 2 2 172.316 1.572 10 0 ADAELP CC[N@@H+](C)C[C@H]([NH2+]C)C(C)(C)C 43819864 573866291 /nfs/dbraw/zinc/86/62/91/573866291.db2.gz LZRIINQDUGHTIC-VIFPVBQESA-N 2 2 172.316 1.572 10 0 ADAELP CC[NH+](CC)[C@@H]1CCCC[C@H]1[NH2+]C 43809055 573866349 /nfs/dbraw/zinc/86/63/49/573866349.db2.gz CRVFSFXQSOGDFL-GHMZBOCLSA-N 2 2 184.327 1.859 10 0 ADAELP C[N@@H+]1CC[C@@]([NH3+])(Cc2ccsc2)C1 84360028 573866462 /nfs/dbraw/zinc/86/64/62/573866462.db2.gz HXRNGXLSDRCNOT-SNVBAGLBSA-N 2 2 196.319 1.324 10 0 ADAELP C[N@H+]1CC[C@@]([NH3+])(Cc2ccsc2)C1 84360028 573866481 /nfs/dbraw/zinc/86/64/81/573866481.db2.gz HXRNGXLSDRCNOT-SNVBAGLBSA-N 2 2 196.319 1.324 10 0 ADAELP CC[NH2+][C@@H](C)/C=C\c1c[nH+]cn1CC 308458809 573866588 /nfs/dbraw/zinc/86/65/88/573866588.db2.gz YQHPHBWPSDQTQM-GFVADAIESA-N 2 2 193.294 1.914 10 0 ADAELP CC[NH+](CC)[C@@H]1CCCC[C@@H]1[NH2+]C 43809051 573866608 /nfs/dbraw/zinc/86/66/08/573866608.db2.gz CRVFSFXQSOGDFL-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP Cc1[nH]c2c([nH+]1)CC(C)(C)C[NH2+]C2 238540312 573866735 /nfs/dbraw/zinc/86/67/35/573866735.db2.gz ABXYZXAVWYKKFJ-UHFFFAOYSA-N 2 2 179.267 1.390 10 0 ADAELP C[NH2+]C[C@H]([NH3+])c1ccc(F)c(C)c1 259215824 573866755 /nfs/dbraw/zinc/86/67/55/573866755.db2.gz GQJIAPVTGASFBJ-JTQLQIEISA-N 2 2 182.242 1.353 10 0 ADAELP CCC[C@@H]([NH3+])C[N@@H+]1CC2CCC1CC2 308459535 573867083 /nfs/dbraw/zinc/86/70/83/573867083.db2.gz CVCJZMQMEBSTES-MOENNCHZSA-N 2 2 196.338 1.988 10 0 ADAELP CCC[C@@H]([NH3+])C[N@H+]1CC2CCC1CC2 308459535 573867087 /nfs/dbraw/zinc/86/70/87/573867087.db2.gz CVCJZMQMEBSTES-MOENNCHZSA-N 2 2 196.338 1.988 10 0 ADAELP COCCC[C@H]([NH3+])c1c[nH+]c(C)n1C 308460678 573876367 /nfs/dbraw/zinc/87/63/67/573876367.db2.gz GFCTYCDRZMCCQW-VIFPVBQESA-N 2 2 197.282 1.155 10 0 ADAELP CC[C@@H]([NH2+]C)[C@H](C)n1cc[nH+]c1 43993160 573876418 /nfs/dbraw/zinc/87/64/18/573876418.db2.gz JRQWKBDGBBRSLI-DTWKUNHWSA-N 2 2 167.256 1.442 10 0 ADAELP CC[NH2+][C@H](CC)[C@@H](C)[NH+](C)C 43816025 573875887 /nfs/dbraw/zinc/87/58/87/573875887.db2.gz MPGQEBFCDPVTMI-RKDXNWHRSA-N 2 2 158.289 1.325 10 0 ADAELP Cc1ccc([C@]2([NH3+])CC[N@@H+](C)C2)cc1 84350513 573875893 /nfs/dbraw/zinc/87/58/93/573875893.db2.gz HDDATBKYEMZYMQ-LBPRGKRZSA-N 2 2 190.290 1.485 10 0 ADAELP Cc1ccc([C@]2([NH3+])CC[N@H+](C)C2)cc1 84350513 573875901 /nfs/dbraw/zinc/87/59/01/573875901.db2.gz HDDATBKYEMZYMQ-LBPRGKRZSA-N 2 2 190.290 1.485 10 0 ADAELP CC/C(=C/c1c[nH+]cn1CC)C[NH2+]C 211750135 573875908 /nfs/dbraw/zinc/87/59/08/573875908.db2.gz POJLIUWKTQIKGV-POHAHGRESA-N 2 2 193.294 1.916 10 0 ADAELP CC1([C@H]([NH3+])Cc2[nH]cc[nH+]2)CCCC1 87316070 573876320 /nfs/dbraw/zinc/87/63/20/573876320.db2.gz RCGWOURCWDKMHZ-SECBINFHSA-N 2 2 193.294 1.860 10 0 ADAELP CCC[N@@H+](CC1CC1)C[C@H](C)[NH2+]C 43967368 573878052 /nfs/dbraw/zinc/87/80/52/573878052.db2.gz AWESNXIQTTYXEY-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CCC[N@H+](CC1CC1)C[C@H](C)[NH2+]C 43967368 573878063 /nfs/dbraw/zinc/87/80/63/573878063.db2.gz AWESNXIQTTYXEY-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP Cc1[nH+]c(N)ccc1[C@H]1CCC[C@H]1[NH3+] 238551504 573878100 /nfs/dbraw/zinc/87/81/00/573878100.db2.gz UBDSYSPHFDMAEF-NXEZZACHSA-N 2 2 191.278 1.567 10 0 ADAELP CC[NH2+][C@@H](CC)[C@H](C)n1cc[nH+]c1 43992934 573878145 /nfs/dbraw/zinc/87/81/45/573878145.db2.gz XNJDUHQULJDCRW-UWVGGRQHSA-N 2 2 181.283 1.832 10 0 ADAELP C[NH2+][C@@H](C)C[N@H+](CC1CC1)C(C)C 43974304 573878261 /nfs/dbraw/zinc/87/82/61/573878261.db2.gz BGOAULWKTCHIFJ-JTQLQIEISA-N 2 2 184.327 1.715 10 0 ADAELP C[NH2+][C@@H](C)C[N@@H+](CC1CC1)C(C)C 43974304 573878267 /nfs/dbraw/zinc/87/82/67/573878267.db2.gz BGOAULWKTCHIFJ-JTQLQIEISA-N 2 2 184.327 1.715 10 0 ADAELP Cc1[nH+]c(N)ccc1[C@H]1CC[NH2+]C1 238551529 573878336 /nfs/dbraw/zinc/87/83/36/573878336.db2.gz AGCHBEVACKOORO-QMMMGPOBSA-N 2 2 177.251 1.049 10 0 ADAELP CCc1[nH]c(C[C@H]2CC[NH2+]C2)c[nH+]1 257893487 573884236 /nfs/dbraw/zinc/88/42/36/573884236.db2.gz NSSYBGIXWPZFFQ-MRVPVSSYSA-N 2 2 179.267 1.124 10 0 ADAELP C[NH+](C)[C@H](c1cccs1)C1([NH3+])CC1 259219160 573885952 /nfs/dbraw/zinc/88/59/52/573885952.db2.gz PYTHEUIWJZWNHB-SECBINFHSA-N 2 2 196.319 1.842 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CC[C@H](F)C1 689863695 573886173 /nfs/dbraw/zinc/88/61/73/573886173.db2.gz YNJWUZDWWARZMP-LPEHRKFASA-N 2 2 188.290 1.404 10 0 ADAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CC[C@H](F)C1 689863695 573886178 /nfs/dbraw/zinc/88/61/78/573886178.db2.gz YNJWUZDWWARZMP-LPEHRKFASA-N 2 2 188.290 1.404 10 0 ADAELP C[NH2+][C@@H]1C[N@@H+](C2CC2)CCC1(C)C 259223146 573890658 /nfs/dbraw/zinc/89/06/58/573890658.db2.gz KLJIZUGSEPLZTE-SNVBAGLBSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H]1C[N@H+](C2CC2)CCC1(C)C 259223146 573890665 /nfs/dbraw/zinc/89/06/65/573890665.db2.gz KLJIZUGSEPLZTE-SNVBAGLBSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)Cc1c[nH+]c(C[C@H](C)C[NH3+])[nH]1 259221122 573891134 /nfs/dbraw/zinc/89/11/34/573891134.db2.gz ZJUVQPNZCXZYRI-VIFPVBQESA-N 2 2 195.310 1.746 10 0 ADAELP CC(C)[C@H]([NH3+])c1ccn2cc[nH+]c2c1 238189318 573899124 /nfs/dbraw/zinc/89/91/24/573899124.db2.gz FWGIYZHZCRTYIV-NSHDSACASA-N 2 2 189.262 1.990 10 0 ADAELP CCn1c(C[NH+]2CCCC2)c[nH+]c1C 258175725 573899429 /nfs/dbraw/zinc/89/94/29/573899429.db2.gz MPFABAMVYJVDKH-UHFFFAOYSA-N 2 2 193.294 1.807 10 0 ADAELP c1[nH]c(C2CC2)[nH+]c1CC1C[NH2+]C1 257902729 573901007 /nfs/dbraw/zinc/90/10/07/573901007.db2.gz PEAIQSGATRKXRZ-UHFFFAOYSA-N 2 2 177.251 1.049 10 0 ADAELP c1[nH+]c(C2CC2)[nH]c1CC1C[NH2+]C1 257902729 573901010 /nfs/dbraw/zinc/90/10/10/573901010.db2.gz PEAIQSGATRKXRZ-UHFFFAOYSA-N 2 2 177.251 1.049 10 0 ADAELP [NH3+][C@@H](c1ccc[nH]1)[C@@H]1CCCC[NH2+]1 259230139 573901291 /nfs/dbraw/zinc/90/12/91/573901291.db2.gz HFZSHYORWRPFFU-WCBMZHEXSA-N 2 2 179.267 1.157 10 0 ADAELP CCC[NH2+][C@H](C)C[N@H+](CC)C1CC1 44471872 573901313 /nfs/dbraw/zinc/90/13/13/573901313.db2.gz PMIHFSGLVXJYEE-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP CCC[NH2+][C@H](C)C[N@@H+](CC)C1CC1 44471872 573901317 /nfs/dbraw/zinc/90/13/17/573901317.db2.gz PMIHFSGLVXJYEE-SNVBAGLBSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@@H](c1ccc(C)o1)C1([NH3+])CC1 259229930 573902687 /nfs/dbraw/zinc/90/26/87/573902687.db2.gz MQDWSMGDQVNEJK-VIFPVBQESA-N 2 2 180.251 1.340 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@H+](C)C[C@@H](C)[NH3+] 393568950 573902888 /nfs/dbraw/zinc/90/28/88/573902888.db2.gz ZMCMBNDHSNHYDL-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@@H]1CCC[C@H]1[N@@H+](C)C[C@@H](C)[NH3+] 393568950 573902892 /nfs/dbraw/zinc/90/28/92/573902892.db2.gz ZMCMBNDHSNHYDL-GMTAPVOTSA-N 2 2 184.327 1.844 10 0 ADAELP CC[C@](C)([NH3+])C[NH2+]Cc1cncs1 131572932 573903020 /nfs/dbraw/zinc/90/30/20/573903020.db2.gz RQRBOAZYLXDSIK-VIFPVBQESA-N 2 2 199.323 1.360 10 0 ADAELP [NH3+][C@H](c1ccc[nH]1)[C@H]1CCCC[NH2+]1 259230137 573903274 /nfs/dbraw/zinc/90/32/74/573903274.db2.gz HFZSHYORWRPFFU-SCZZXKLOSA-N 2 2 179.267 1.157 10 0 ADAELP [NH3+][C@@H]1Cc2[nH+]c(C3CCCC3)cn2C1 74271673 573906967 /nfs/dbraw/zinc/90/69/67/573906967.db2.gz WDMDDTCACLAHSV-SECBINFHSA-N 2 2 191.278 1.424 10 0 ADAELP CCC[NH2+]CC[N@H+](C)CCC(C)C 44383445 573907016 /nfs/dbraw/zinc/90/70/16/573907016.db2.gz HWSXEHRHXMPGLS-UHFFFAOYSA-N 2 2 186.343 1.964 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)CCC(C)C 44383445 573907019 /nfs/dbraw/zinc/90/70/19/573907019.db2.gz HWSXEHRHXMPGLS-UHFFFAOYSA-N 2 2 186.343 1.964 10 0 ADAELP C[C@@H](CN(C)c1cccc[nH+]1)C(N)=[NH2+] 44413539 573907137 /nfs/dbraw/zinc/90/71/37/573907137.db2.gz SCRUMEAKSOYULB-QMMMGPOBSA-N 2 2 192.266 1.090 10 0 ADAELP CCC[NH2+]CC[N@H+](C)CC1CC1 44381143 573907214 /nfs/dbraw/zinc/90/72/14/573907214.db2.gz IKUVUCWPZBSZRK-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)CC1CC1 44381143 573907218 /nfs/dbraw/zinc/90/72/18/573907218.db2.gz IKUVUCWPZBSZRK-UHFFFAOYSA-N 2 2 170.300 1.328 10 0 ADAELP C[C@@H]([NH3+])c1ccnc(-n2cc[nH+]c2)c1 87413952 573907298 /nfs/dbraw/zinc/90/72/98/573907298.db2.gz SGQCKSVVCBLYDA-MRVPVSSYSA-N 2 2 188.234 1.287 10 0 ADAELP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C 44562119 573913604 /nfs/dbraw/zinc/91/36/04/573913604.db2.gz AJMWIGOHGCLISI-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP CC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C 44562119 573913609 /nfs/dbraw/zinc/91/36/09/573913609.db2.gz AJMWIGOHGCLISI-WDEREUQCSA-N 2 2 184.327 1.859 10 0 ADAELP C[NH2+][C@H]1CCC(C)(C)[N@@H+](C(C)C)C1 259580905 573913747 /nfs/dbraw/zinc/91/37/47/573913747.db2.gz ZGHJOGOHOCJHDV-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP C[NH2+][C@H]1CCC(C)(C)[N@H+](C(C)C)C1 259580905 573913752 /nfs/dbraw/zinc/91/37/52/573913752.db2.gz ZGHJOGOHOCJHDV-JTQLQIEISA-N 2 2 184.327 1.857 10 0 ADAELP C[N@@H+]1CC[C@H]([NH3+])[C@@H]1Cc1ccccc1 76634737 573913766 /nfs/dbraw/zinc/91/37/66/573913766.db2.gz HIMRPNVGMLWXDM-RYUDHWBXSA-N 2 2 190.290 1.261 10 0 ADAELP C[N@H+]1CC[C@H]([NH3+])[C@@H]1Cc1ccccc1 76634737 573913769 /nfs/dbraw/zinc/91/37/69/573913769.db2.gz HIMRPNVGMLWXDM-RYUDHWBXSA-N 2 2 190.290 1.261 10 0 ADAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C)C1CC1 44561603 573913916 /nfs/dbraw/zinc/91/39/16/573913916.db2.gz ZWVHWXIYVPGNCD-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C)C1CC1 44561603 573913917 /nfs/dbraw/zinc/91/39/17/573913917.db2.gz ZWVHWXIYVPGNCD-CMPLNLGQSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@@H](c1cccc(C)c1)C1([NH3+])CC1 259237682 573914056 /nfs/dbraw/zinc/91/40/56/573914056.db2.gz MZISDDIYUDZRKT-NSHDSACASA-N 2 2 190.290 1.747 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C)C1CC1 44561601 573914202 /nfs/dbraw/zinc/91/42/02/573914202.db2.gz ZWVHWXIYVPGNCD-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C)C1CC1 44561601 573914206 /nfs/dbraw/zinc/91/42/06/573914206.db2.gz ZWVHWXIYVPGNCD-JQWIXIFHSA-N 2 2 196.338 1.859 10 0 ADAELP C[NH2+][C@H](c1cccc(C)c1)C1([NH3+])CC1 259237677 573915195 /nfs/dbraw/zinc/91/51/95/573915195.db2.gz MZISDDIYUDZRKT-LLVKDONJSA-N 2 2 190.290 1.747 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@H+](C)C1CCCC1 123069792 573915455 /nfs/dbraw/zinc/91/54/55/573915455.db2.gz RKINGCKAKJOCAB-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@H]1C[NH2+]C[C@H]1[N@@H+](C)C1CCCC1 123069792 573915469 /nfs/dbraw/zinc/91/54/69/573915469.db2.gz RKINGCKAKJOCAB-GXSJLCMTSA-N 2 2 182.311 1.469 10 0 ADAELP CC(C)[C@@H]1C[N@@H+]2CCCCC[C@@H]2C[NH2+]1 238184528 573915568 /nfs/dbraw/zinc/91/55/68/573915568.db2.gz GNFQYCBDXKWUFX-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@@H]1C[N@H+]2CCCCC[C@@H]2C[NH2+]1 238184528 573915570 /nfs/dbraw/zinc/91/55/70/573915570.db2.gz GNFQYCBDXKWUFX-NEPJUHHUSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@H+](C)C1CCCCC1 123088043 573926487 /nfs/dbraw/zinc/92/64/87/573926487.db2.gz MDWHCOHSBWSQTQ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@@H+](C)C1CCCCC1 123088043 573926491 /nfs/dbraw/zinc/92/64/91/573926491.db2.gz MDWHCOHSBWSQTQ-PWSUYJOCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[C@H](C)C[N@@H+]1CC[NH2+][C@H](C)CC1 81111218 573933854 /nfs/dbraw/zinc/93/38/54/573933854.db2.gz ZADVFXBXMSMSPP-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CC(C)[C@H](C)C[N@H+]1CC[NH2+][C@H](C)CC1 81111218 573933857 /nfs/dbraw/zinc/93/38/57/573933857.db2.gz ZADVFXBXMSMSPP-VXGBXAGGSA-N 2 2 198.354 1.962 10 0 ADAELP CCCc1c[nH+]c(C[C@@H]2CC[NH2+]C2)[nH]1 259016983 573933911 /nfs/dbraw/zinc/93/39/11/573933911.db2.gz DTLYTMPCFMQIQJ-VIFPVBQESA-N 2 2 193.294 1.514 10 0 ADAELP CCOc1ccc([C@@](C)([NH3+])C[NH3+])cc1 259017087 573934050 /nfs/dbraw/zinc/93/40/50/573934050.db2.gz IFVZHJNRHBJMIG-NSHDSACASA-N 2 2 194.278 1.218 10 0 ADAELP C[C@H](CC(F)F)C[N@@H+]1CC[C@@H]([NH3+])C1 688727471 573938038 /nfs/dbraw/zinc/93/80/38/573938038.db2.gz QPVFAKCLVVUHJW-HTQZYQBOSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@H](CC(F)F)C[N@H+]1CC[C@@H]([NH3+])C1 688727471 573938041 /nfs/dbraw/zinc/93/80/41/573938041.db2.gz QPVFAKCLVVUHJW-HTQZYQBOSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@H](CC(F)F)C[N@@H+]1CC[C@H]([NH3+])C1 688727480 573937447 /nfs/dbraw/zinc/93/74/47/573937447.db2.gz QPVFAKCLVVUHJW-SFYZADRCSA-N 2 2 192.253 1.311 10 0 ADAELP C[C@H](CC(F)F)C[N@H+]1CC[C@H]([NH3+])C1 688727480 573937449 /nfs/dbraw/zinc/93/74/49/573937449.db2.gz QPVFAKCLVVUHJW-SFYZADRCSA-N 2 2 192.253 1.311 10 0 ADAELP CCC[C@@H](C[NH3+])[NH2+]Cc1ccccn1 308468012 573937912 /nfs/dbraw/zinc/93/79/12/573937912.db2.gz AOJFFIAOALUTEB-JTQLQIEISA-N 2 2 193.294 1.299 10 0 ADAELP C[NH2+]CCC[N@H+](C)Cc1ccc(C)o1 42409560 573940638 /nfs/dbraw/zinc/94/06/38/573940638.db2.gz LTFSXDIOQGEMGE-UHFFFAOYSA-N 2 2 196.294 1.629 10 0 ADAELP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)o1 42409560 573940642 /nfs/dbraw/zinc/94/06/42/573940642.db2.gz LTFSXDIOQGEMGE-UHFFFAOYSA-N 2 2 196.294 1.629 10 0 ADAELP CCC[NH2+]CC[N@H+](C)C(C)C 42409236 573940753 /nfs/dbraw/zinc/94/07/53/573940753.db2.gz FEVZWSQXOLYDHW-UHFFFAOYSA-N 2 2 158.289 1.326 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)C(C)C 42409236 573940757 /nfs/dbraw/zinc/94/07/57/573940757.db2.gz FEVZWSQXOLYDHW-UHFFFAOYSA-N 2 2 158.289 1.326 10 0 ADAELP CCCC[N@H+](C)CC[NH2+]CCC 42409360 573941195 /nfs/dbraw/zinc/94/11/95/573941195.db2.gz IFAKCYVFFIXKDW-UHFFFAOYSA-N 2 2 172.316 1.718 10 0 ADAELP CCCC[N@@H+](C)CC[NH2+]CCC 42409360 573941199 /nfs/dbraw/zinc/94/11/99/573941199.db2.gz IFAKCYVFFIXKDW-UHFFFAOYSA-N 2 2 172.316 1.718 10 0 ADAELP CC(C)C[NH2+][C@H](C)C[NH+]1CCCC1 42371932 573941532 /nfs/dbraw/zinc/94/15/32/573941532.db2.gz SPYWFYHVZRCCSA-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CCC[NH2+]CC[N@H+](C)CC(C)(C)C 45073094 573946274 /nfs/dbraw/zinc/94/62/74/573946274.db2.gz RSBIJBRBUBOQKK-UHFFFAOYSA-N 2 2 186.343 1.964 10 0 ADAELP CCC[NH2+]CC[N@@H+](C)CC(C)(C)C 45073094 573946279 /nfs/dbraw/zinc/94/62/79/573946279.db2.gz RSBIJBRBUBOQKK-UHFFFAOYSA-N 2 2 186.343 1.964 10 0 ADAELP [NH3+][C@H](c1cccs1)C1([NH3+])CC1 259587173 573947850 /nfs/dbraw/zinc/94/78/50/573947850.db2.gz WKIBSVGFIWYXMR-SSDOTTSWSA-N 2 2 168.265 1.239 10 0 ADAELP CCOc1cc[nH+]cc1NCCC[NH3+] 393654734 573947982 /nfs/dbraw/zinc/94/79/82/573947982.db2.gz FZCZZZFFXHUEOJ-UHFFFAOYSA-N 2 2 195.266 1.241 10 0 ADAELP C[N@H+](C[Si](C)(C)C)[C@@H]1CC[NH2+]C1 401698342 573948161 /nfs/dbraw/zinc/94/81/61/573948161.db2.gz XGTDYNDVSZCMQJ-SECBINFHSA-N 2 2 186.375 1.158 10 0 ADAELP C[N@@H+](C[Si](C)(C)C)[C@@H]1CC[NH2+]C1 401698342 573948170 /nfs/dbraw/zinc/94/81/70/573948170.db2.gz XGTDYNDVSZCMQJ-SECBINFHSA-N 2 2 186.375 1.158 10 0 ADAELP C[NH+]1CCN(C(=[NH2+])CC2CC2)CC1 87583931 573951957 /nfs/dbraw/zinc/95/19/57/573951957.db2.gz QNEJPZGTKRFEJO-UHFFFAOYSA-N 2 2 181.283 1.011 10 0 ADAELP C[N@H+](Cc1ccoc1)[C@H](C[NH3+])C1CC1 42447913 573952016 /nfs/dbraw/zinc/95/20/16/573952016.db2.gz OGUWSKXVPNWGOC-LLVKDONJSA-N 2 2 194.278 1.449 10 0 ADAELP C[N@@H+](Cc1ccoc1)[C@H](C[NH3+])C1CC1 42447913 573952018 /nfs/dbraw/zinc/95/20/18/573952018.db2.gz OGUWSKXVPNWGOC-LLVKDONJSA-N 2 2 194.278 1.449 10 0 ADAELP C[C@H](C[NH2+]CC1CCCC1)[NH+](C)C 45107403 573952228 /nfs/dbraw/zinc/95/22/28/573952228.db2.gz DBZKWPNNMBLZBZ-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccoc1 42447989 573952372 /nfs/dbraw/zinc/95/23/72/573952372.db2.gz VECZNCIMZOVVKW-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccoc1 42447989 573952377 /nfs/dbraw/zinc/95/23/77/573952377.db2.gz VECZNCIMZOVVKW-NSHDSACASA-N 2 2 196.294 1.839 10 0 ADAELP CC[C@@H](C[NH3+])[N@H+](C)Cc1ccoc1 42447943 573952431 /nfs/dbraw/zinc/95/24/31/573952431.db2.gz JPKBJMWRNUDQIW-JTQLQIEISA-N 2 2 182.267 1.449 10 0 ADAELP CC[C@@H](C[NH3+])[N@@H+](C)Cc1ccoc1 42447943 573952438 /nfs/dbraw/zinc/95/24/38/573952438.db2.gz JPKBJMWRNUDQIW-JTQLQIEISA-N 2 2 182.267 1.449 10 0 ADAELP CCc1c[nH+]c(CCC(C)(C)[NH3+])[nH]1 259026341 573952537 /nfs/dbraw/zinc/95/25/37/573952537.db2.gz FYNGATATTSSUNT-UHFFFAOYSA-N 2 2 181.283 1.642 10 0 ADAELP C[NH2+]CCC[N@@H+](C)Cc1ccoc1C 42449776 573955362 /nfs/dbraw/zinc/95/53/62/573955362.db2.gz DBTSJFJVBFGYFT-UHFFFAOYSA-N 2 2 196.294 1.629 10 0 ADAELP C[N@H+](Cc1ccoc1)CC(C)(C)[NH3+] 42448895 573955538 /nfs/dbraw/zinc/95/55/38/573955538.db2.gz KCJSXZHJBSAJCX-UHFFFAOYSA-N 2 2 182.267 1.449 10 0 ADAELP 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/nfs/dbraw/zinc/96/33/00/573963300.db2.gz YOBZHQFBQHGSHQ-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[NH2+]C[C@H]1[N@H+]1CCCC1(C)C 123208798 573963306 /nfs/dbraw/zinc/96/33/06/573963306.db2.gz YOBZHQFBQHGSHQ-NXEZZACHSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@H+](C)CC1CCCC1 123211759 573963334 /nfs/dbraw/zinc/96/33/34/573963334.db2.gz YHQLHYGGCPKLAK-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@@H]1C[NH2+]C[C@@H]1[N@@H+](C)CC1CCCC1 123211759 573963336 /nfs/dbraw/zinc/96/33/36/573963336.db2.gz YHQLHYGGCPKLAK-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP CC(C)[C@@H](C)[NH2+]CCc1[nH+]ccn1C 40638730 573965829 /nfs/dbraw/zinc/96/58/29/573965829.db2.gz QVSXHLFAGSFCKL-SNVBAGLBSA-N 2 2 195.310 1.597 10 0 ADAELP CC[C@H]([NH3+])CC[NH2+]Cc1cscn1 127899494 573965914 /nfs/dbraw/zinc/96/59/14/573965914.db2.gz IAJREZMIDJOYCJ-QMMMGPOBSA-N 2 2 199.323 1.360 10 0 ADAELP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1(C)C 259588250 573966099 /nfs/dbraw/zinc/96/60/99/573966099.db2.gz 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1.843 10 0 ADAELP C[C@@H]1CCSC2(CC[NH2+]CC2)[NH2+]1 87604221 573984979 /nfs/dbraw/zinc/98/49/79/573984979.db2.gz BKOMXTFNKQHBQC-MRVPVSSYSA-N 2 2 186.324 1.181 10 0 ADAELP CC(C)(C)n1cccc1[C@H]([NH3+])C[NH3+] 104462433 573991093 /nfs/dbraw/zinc/99/10/93/573991093.db2.gz HIRJSNDCQFIVKH-MRVPVSSYSA-N 2 2 181.283 1.202 10 0 ADAELP CC(C)[N@@H+]1CC[C@H]([NH2+]CC2CCC2)C1 45651250 573991112 /nfs/dbraw/zinc/99/11/12/573991112.db2.gz MELIUBZVUOQUCO-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@H+]1CC[C@H]([NH2+]CC2CCC2)C1 45651250 573991117 /nfs/dbraw/zinc/99/11/17/573991117.db2.gz MELIUBZVUOQUCO-LBPRGKRZSA-N 2 2 196.338 1.859 10 0 ADAELP C1=[NH+]Cc2ccc3c(c2N1)C[NH2+]CC3 104462873 573991610 /nfs/dbraw/zinc/99/16/10/573991610.db2.gz BQJOFQUSCWMVSU-UHFFFAOYSA-N 2 2 187.246 1.095 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 45649912 573995887 /nfs/dbraw/zinc/99/58/87/573995887.db2.gz UAWHRGXSVQLKAS-QWRGUYRKSA-N 2 2 184.327 1.857 10 0 ADAELP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 45649912 573995891 /nfs/dbraw/zinc/99/58/91/573995891.db2.gz UAWHRGXSVQLKAS-QWRGUYRKSA-N 2 2 184.327 1.857 10 0 ADAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]CC2CCC2)C1 45651252 573995350 /nfs/dbraw/zinc/99/53/50/573995350.db2.gz MELIUBZVUOQUCO-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP CC(C)[N@H+]1CC[C@@H]([NH2+]CC2CCC2)C1 45651252 573995353 /nfs/dbraw/zinc/99/53/53/573995353.db2.gz MELIUBZVUOQUCO-GFCCVEGCSA-N 2 2 196.338 1.859 10 0 ADAELP C1CC[NH+](CC[NH2+][C@H]2C[C@@H]2C2CC2)C1 716545925 573995747 /nfs/dbraw/zinc/99/57/47/573995747.db2.gz MILVANWOBCUHLX-NEPJUHHUSA-N 2 2 194.322 1.470 10 0 ADAELP Cc1[nH+]cccc1NC1CC([NH3+])C1 87652130 573995755 /nfs/dbraw/zinc/99/57/55/573995755.db2.gz ICVYBUYUWXMFJM-UHFFFAOYSA-N 2 2 177.251 1.292 10 0 ADAELP CC[C@@H]1[NH2+]CC[C@H]1c1c[nH+]cn1C 85182292 574001089 /nfs/dbraw/zinc/00/10/89/574001089.db2.gz JXNBKWNCQNTSQW-BDAKNGLRSA-N 2 2 179.267 1.276 10 0 ADAELP C[NH2+][C@H](C1CC[NH2+]CC1)C(F)(F)F 104479698 574001548 /nfs/dbraw/zinc/00/15/48/574001548.db2.gz OEHLVEKPTKKYPE-SSDOTTSWSA-N 2 2 196.216 1.136 10 0 ADAELP C[NH2+][C@@H](C1CC[NH2+]CC1)C(F)(F)F 104479694 574001583 /nfs/dbraw/zinc/00/15/83/574001583.db2.gz OEHLVEKPTKKYPE-ZETCQYMHSA-N 2 2 196.216 1.136 10 0 ADAELP Cn1c[nH+]cc1[C@H]1CC[NH2+]C1(C)C 85182299 574001627 /nfs/dbraw/zinc/00/16/27/574001627.db2.gz UQTDMUPHSHHJPI-MRVPVSSYSA-N 2 2 179.267 1.276 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H]1C[NH2+][C@H](C)C1 85188465 574005556 /nfs/dbraw/zinc/00/55/56/574005556.db2.gz AYNJJJYQIYPKMQ-NXEZZACHSA-N 2 2 193.294 1.929 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H]1CC[NH2+][C@@H]1C 85189194 574005790 /nfs/dbraw/zinc/00/57/90/574005790.db2.gz ODCRHKGUCNNFIX-NXEZZACHSA-N 2 2 193.294 1.929 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H]1CC[NH2+]C1 85189192 574008048 /nfs/dbraw/zinc/00/80/48/574008048.db2.gz GJIQYYVMSPGAMR-VIFPVBQESA-N 2 2 179.267 1.541 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[C@@H](C)[NH2+][C@@H]1C 85184397 574008104 /nfs/dbraw/zinc/00/81/04/574008104.db2.gz AUJPAJKGSYBHEH-OPRDCNLKSA-N 2 2 193.294 1.757 10 0 ADAELP CCCn1c[nH+]cc1[C@@H]1CC[NH2+]C1 85187317 574007572 /nfs/dbraw/zinc/00/75/72/574007572.db2.gz DWJQAIRARQYNEY-SECBINFHSA-N 2 2 179.267 1.370 10 0 ADAELP CCn1c[nH+]cc1[C@H]1CC[NH2+][C@H]1C 85185385 574007583 /nfs/dbraw/zinc/00/75/83/574007583.db2.gz GTRFFOUSRAIXMV-IUCAKERBSA-N 2 2 179.267 1.368 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H]1CC[NH2+][C@H]1C 85189201 574007706 /nfs/dbraw/zinc/00/77/06/574007706.db2.gz ODCRHKGUCNNFIX-UWVGGRQHSA-N 2 2 193.294 1.929 10 0 ADAELP CC[C@H]1[NH2+]CC[C@H]1c1c[nH+]cn1CC 85185386 574007742 /nfs/dbraw/zinc/00/77/42/574007742.db2.gz UKORWEBAQYWLRS-NXEZZACHSA-N 2 2 193.294 1.759 10 0 ADAELP [NH3+][C@@H](c1ccc2[nH+]ccn2c1)C1CC1 104494369 574007763 /nfs/dbraw/zinc/00/77/63/574007763.db2.gz GLGREQXBQFVESK-LLVKDONJSA-N 2 2 187.246 1.744 10 0 ADAELP CCCn1c[nH+]cc1[C@H]1CC[NH2+]C1 85187319 574007789 /nfs/dbraw/zinc/00/77/89/574007789.db2.gz DWJQAIRARQYNEY-VIFPVBQESA-N 2 2 179.267 1.370 10 0 ADAELP CCCn1c[nH+]cc1[C@@H]1C[NH2+][C@@H](C)C1 85186563 574007806 /nfs/dbraw/zinc/00/78/06/574007806.db2.gz RUBASMHASVBRHB-UWVGGRQHSA-N 2 2 193.294 1.759 10 0 ADAELP CCCn1c[nH+]cc1[C@H]1C[NH2+][C@H](C)C1 85186565 574008690 /nfs/dbraw/zinc/00/86/90/574008690.db2.gz RUBASMHASVBRHB-NXEZZACHSA-N 2 2 193.294 1.759 10 0 ADAELP CCn1c[nH+]cc1[C@H]1C[NH2+][C@@H](C)C1 85184381 574008710 /nfs/dbraw/zinc/00/87/10/574008710.db2.gz VZAUNUWMFPVOCB-DTWKUNHWSA-N 2 2 179.267 1.368 10 0 ADAELP CC(C)n1c[nH+]cc1[C@H]1C[NH2+][C@@H](C)C1 85188468 574008139 /nfs/dbraw/zinc/00/81/39/574008139.db2.gz AYNJJJYQIYPKMQ-VHSXEESVSA-N 2 2 193.294 1.929 10 0 ADAELP CCn1c[nH+]cc1[C@@H]1C[NH2+][C@H](C)C1 85184386 574008190 /nfs/dbraw/zinc/00/81/90/574008190.db2.gz VZAUNUWMFPVOCB-BDAKNGLRSA-N 2 2 179.267 1.368 10 0 ADAELP CC(C)n1c[nH+]cc1[C@@H](O)C(C)(C)[NH3+] 85187923 574008292 /nfs/dbraw/zinc/00/82/92/574008292.db2.gz ABLIIBPCZJPWJJ-SECBINFHSA-N 2 2 197.282 1.235 10 0 ADAELP [NH3+]C[C@@H]([NH3+])c1ccsc1Cl 104505273 574019041 /nfs/dbraw/zinc/01/90/41/574019041.db2.gz RYTSMLNZRPGMDV-RXMQYKEDSA-N 2 2 176.672 1.360 10 0 ADAELP Nc1cc([C@@H]2CCCC[NH2+]2)cc(N)[nH+]1 104506626 574020435 /nfs/dbraw/zinc/02/04/35/574020435.db2.gz XBUSQFROQDNLNR-QMMMGPOBSA-N 2 2 192.266 1.061 10 0 ADAELP Cc1ccc([C@H]([NH3+])C[NH3+])c(Cl)n1 104505126 574020610 /nfs/dbraw/zinc/02/06/10/574020610.db2.gz UOXZGDYXLVVAHY-SSDOTTSWSA-N 2 2 185.658 1.002 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]1c1[nH]cc[nH+]1 223759465 574023893 /nfs/dbraw/zinc/02/38/93/574023893.db2.gz VNGQJKGCYDAIMD-RNFRBKRXSA-N 2 2 151.213 1.005 10 0 ADAELP c1[nH]cc(CC[NH2+]C2CCCCC2)[nH+]1 49088955 574023996 /nfs/dbraw/zinc/02/39/96/574023996.db2.gz OKJFYIHINPOKMF-UHFFFAOYSA-N 2 2 193.294 1.875 10 0 in-vivo ADAELP c1[nH]c(CC[NH2+]C2CCCCC2)c[nH+]1 49088955 574023999 /nfs/dbraw/zinc/02/39/99/574023999.db2.gz OKJFYIHINPOKMF-UHFFFAOYSA-N 2 2 193.294 1.875 10 0 in-vivo ADAELP C[C@@H]1C[N@H+](CCF)[C@H](C)CC[NH2+]1 87778408 574032827 /nfs/dbraw/zinc/03/28/27/574032827.db2.gz YZSYDVLYLNJBGX-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@@H]1C[N@@H+](CCF)[C@H](C)CC[NH2+]1 87778408 574032830 /nfs/dbraw/zinc/03/28/30/574032830.db2.gz YZSYDVLYLNJBGX-RKDXNWHRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[N@H+](CCF)[C@@H](C)CC[NH2+]1 87778414 574032884 /nfs/dbraw/zinc/03/28/84/574032884.db2.gz YZSYDVLYLNJBGX-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[N@@H+](CCF)[C@@H](C)CC[NH2+]1 87778414 574032886 /nfs/dbraw/zinc/03/28/86/574032886.db2.gz YZSYDVLYLNJBGX-IUCAKERBSA-N 2 2 174.263 1.028 10 0 ADAELP C[NH2+][C@H](c1ccc(F)c(C)c1)[C@H](C)[NH3+] 259287034 574032906 /nfs/dbraw/zinc/03/29/06/574032906.db2.gz HQQLWTPQYOHGIF-KWQFWETISA-N 2 2 196.269 1.742 10 0 ADAELP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1CCF 87778434 574032920 /nfs/dbraw/zinc/03/29/20/574032920.db2.gz FSERDECKJRPINB-VIFPVBQESA-N 2 2 188.290 1.418 10 0 ADAELP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1CCF 87778434 574032922 /nfs/dbraw/zinc/03/29/22/574032922.db2.gz FSERDECKJRPINB-VIFPVBQESA-N 2 2 188.290 1.418 10 0 ADAELP CC[C@@H]1C[N@H+](CCF)CCC[NH2+]1 87778371 574033009 /nfs/dbraw/zinc/03/30/09/574033009.db2.gz XBOXABUZQXYILP-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP CC[C@@H]1C[N@@H+](CCF)CCC[NH2+]1 87778371 574033012 /nfs/dbraw/zinc/03/30/12/574033012.db2.gz XBOXABUZQXYILP-SECBINFHSA-N 2 2 174.263 1.030 10 0 ADAELP C[NH2+][C@H](c1ccc(F)c(C)c1)[C@@H](C)[NH3+] 259287026 574033020 /nfs/dbraw/zinc/03/30/20/574033020.db2.gz HQQLWTPQYOHGIF-KCJUWKMLSA-N 2 2 196.269 1.742 10 0 ADAELP C[C@H]1CCC[C@H](C[NH3+])[N@@H+]1CCF 87776616 574033065 /nfs/dbraw/zinc/03/30/65/574033065.db2.gz BOWGZCXLLFFHJE-DTWKUNHWSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@H]1CCC[C@H](C[NH3+])[N@H+]1CCF 87776616 574033067 /nfs/dbraw/zinc/03/30/67/574033067.db2.gz BOWGZCXLLFFHJE-DTWKUNHWSA-N 2 2 174.263 1.158 10 0 ADAELP CCC(CC)C[C@H](C[NH+](C)C)[NH2+]C 128175539 574033071 /nfs/dbraw/zinc/03/30/71/574033071.db2.gz VDIJMQGCEBULBZ-LLVKDONJSA-N 2 2 186.343 1.962 10 0 ADAELP CC1(C)C[N@H+](CCF)CCC[NH2+]1 87778354 574033149 /nfs/dbraw/zinc/03/31/49/574033149.db2.gz BNXDIDTWVDZOGY-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP CC1(C)C[N@@H+](CCF)CCC[NH2+]1 87778354 574033151 /nfs/dbraw/zinc/03/31/51/574033151.db2.gz BNXDIDTWVDZOGY-UHFFFAOYSA-N 2 2 174.263 1.030 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@@H+]1CCF 87778410 574033279 /nfs/dbraw/zinc/03/32/79/574033279.db2.gz YZSYDVLYLNJBGX-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1CC[NH2+][C@H](C)C[N@H+]1CCF 87778410 574033283 /nfs/dbraw/zinc/03/32/83/574033283.db2.gz YZSYDVLYLNJBGX-BDAKNGLRSA-N 2 2 174.263 1.028 10 0 ADAELP CC(C)[C@@H]1C[N@H+](CCF)CCC[NH2+]1 87778328 574033357 /nfs/dbraw/zinc/03/33/57/574033357.db2.gz QROKSNOCTOJNRD-JTQLQIEISA-N 2 2 188.290 1.276 10 0 ADAELP CC(C)[C@@H]1C[N@@H+](CCF)CCC[NH2+]1 87778328 574033360 /nfs/dbraw/zinc/03/33/60/574033360.db2.gz QROKSNOCTOJNRD-JTQLQIEISA-N 2 2 188.290 1.276 10 0 ADAELP CC[C@@H]1C[N@H+](CCF)[C@H](C)CC[NH2+]1 87778463 574033402 /nfs/dbraw/zinc/03/34/02/574033402.db2.gz YUJQHEAMBCHQJW-NXEZZACHSA-N 2 2 188.290 1.418 10 0 ADAELP CC[C@@H]1C[N@@H+](CCF)[C@H](C)CC[NH2+]1 87778463 574033403 /nfs/dbraw/zinc/03/34/03/574033403.db2.gz YUJQHEAMBCHQJW-NXEZZACHSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@@H+]1CCF 87776617 574033491 /nfs/dbraw/zinc/03/34/91/574033491.db2.gz BOWGZCXLLFFHJE-BDAKNGLRSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@H+]1CCF 87776617 574033493 /nfs/dbraw/zinc/03/34/93/574033493.db2.gz BOWGZCXLLFFHJE-BDAKNGLRSA-N 2 2 174.263 1.158 10 0 ADAELP CC[C@]1(C)C[N@H+](CCF)CCC[NH2+]1 87778384 574033499 /nfs/dbraw/zinc/03/34/99/574033499.db2.gz OFFGKTUSWGYRDR-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CC[C@]1(C)C[N@@H+](CCF)CCC[NH2+]1 87778384 574033501 /nfs/dbraw/zinc/03/35/01/574033501.db2.gz OFFGKTUSWGYRDR-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP CC[C@H]1C[N@H+](CCF)[C@H](C)CC[NH2+]1 87778465 574033615 /nfs/dbraw/zinc/03/36/15/574033615.db2.gz YUJQHEAMBCHQJW-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP CC[C@H]1C[N@@H+](CCF)[C@H](C)CC[NH2+]1 87778465 574033618 /nfs/dbraw/zinc/03/36/18/574033618.db2.gz YUJQHEAMBCHQJW-ZJUUUORDSA-N 2 2 188.290 1.418 10 0 ADAELP CC[C@H]1C[N@H+](CCF)CCC[NH2+]1 87778373 574033888 /nfs/dbraw/zinc/03/38/88/574033888.db2.gz XBOXABUZQXYILP-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP CC[C@H]1C[N@@H+](CCF)CCC[NH2+]1 87778373 574033889 /nfs/dbraw/zinc/03/38/89/574033889.db2.gz XBOXABUZQXYILP-VIFPVBQESA-N 2 2 174.263 1.030 10 0 ADAELP CC(C)[C@H]1C[N@H+](CCF)CCC[NH2+]1 87778330 574033899 /nfs/dbraw/zinc/03/38/99/574033899.db2.gz QROKSNOCTOJNRD-SNVBAGLBSA-N 2 2 188.290 1.276 10 0 ADAELP CC(C)[C@H]1C[N@@H+](CCF)CCC[NH2+]1 87778330 574033901 /nfs/dbraw/zinc/03/39/01/574033901.db2.gz QROKSNOCTOJNRD-SNVBAGLBSA-N 2 2 188.290 1.276 10 0 ADAELP C[C@H]1CCC[C@@H](C[NH3+])[N@@H+]1CCF 87776618 574034042 /nfs/dbraw/zinc/03/40/42/574034042.db2.gz BOWGZCXLLFFHJE-IUCAKERBSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@H]1CCC[C@@H](C[NH3+])[N@H+]1CCF 87776618 574034044 /nfs/dbraw/zinc/03/40/44/574034044.db2.gz BOWGZCXLLFFHJE-IUCAKERBSA-N 2 2 174.263 1.158 10 0 ADAELP C[C@H]1C[N@H+](CCF)[C@H](C)CC[NH2+]1 87778412 574034105 /nfs/dbraw/zinc/03/41/05/574034105.db2.gz YZSYDVLYLNJBGX-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP C[C@H]1C[N@@H+](CCF)[C@H](C)CC[NH2+]1 87778412 574034107 /nfs/dbraw/zinc/03/41/07/574034107.db2.gz YZSYDVLYLNJBGX-DTWKUNHWSA-N 2 2 174.263 1.028 10 0 ADAELP CC[C@@]1(C)C[N@H+](CCF)CCC[NH2+]1 87778385 574034192 /nfs/dbraw/zinc/03/41/92/574034192.db2.gz OFFGKTUSWGYRDR-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP CC[C@@]1(C)C[N@@H+](CCF)CCC[NH2+]1 87778385 574034194 /nfs/dbraw/zinc/03/41/94/574034194.db2.gz OFFGKTUSWGYRDR-JTQLQIEISA-N 2 2 188.290 1.420 10 0 ADAELP FCC[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 87778379 574034222 /nfs/dbraw/zinc/03/42/22/574034222.db2.gz JDKJQIRPGCWIDD-JTQLQIEISA-N 2 2 186.274 1.030 10 0 ADAELP FCC[N@H+]1CCC[NH2+][C@H](C2CC2)C1 87778379 574034224 /nfs/dbraw/zinc/03/42/24/574034224.db2.gz JDKJQIRPGCWIDD-JTQLQIEISA-N 2 2 186.274 1.030 10 0 ADAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1CCF 87778432 574034249 /nfs/dbraw/zinc/03/42/49/574034249.db2.gz FSERDECKJRPINB-SECBINFHSA-N 2 2 188.290 1.418 10 0 ADAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1CCF 87778432 574034252 /nfs/dbraw/zinc/03/42/52/574034252.db2.gz FSERDECKJRPINB-SECBINFHSA-N 2 2 188.290 1.418 10 0 ADAELP CC(C)[NH2+]CCCCc1c[nH]c[nH+]1 13685823 517445642 /nfs/dbraw/zinc/44/56/42/517445642.db2.gz UOBXGIKOILQPJJ-UHFFFAOYSA-N 2 2 181.283 1.730 10 0 ADAELP CC(C)[NH2+]CCCCc1c[nH+]c[nH]1 13685823 517445647 /nfs/dbraw/zinc/44/56/47/517445647.db2.gz UOBXGIKOILQPJJ-UHFFFAOYSA-N 2 2 181.283 1.730 10 0 ADAELP C[C@H]1C[C@H]([NH+](C)CCF)CC[N@@H+]1C 306547751 629658791 /nfs/dbraw/zinc/65/87/91/629658791.db2.gz GCMLIBDPRNQSED-VHSXEESVSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@@H]1C[C@@H]([NH+](C)CCF)CC[N@@H+]1C 306547757 629656687 /nfs/dbraw/zinc/65/66/87/629656687.db2.gz GCMLIBDPRNQSED-ZJUUUORDSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@@H]1C[C@@H]([NH+](C)CCF)CC[N@H+]1C 306547757 629656700 /nfs/dbraw/zinc/65/67/00/629656700.db2.gz GCMLIBDPRNQSED-ZJUUUORDSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@@H]1C[C@@H]([N@H+](C)CCF)CC[NH+]1C 306547757 629656708 /nfs/dbraw/zinc/65/67/08/629656708.db2.gz GCMLIBDPRNQSED-ZJUUUORDSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@@H]1C[C@@H]([N@@H+](C)CCF)CC[NH+]1C 306547757 629656727 /nfs/dbraw/zinc/65/67/27/629656727.db2.gz GCMLIBDPRNQSED-ZJUUUORDSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@H]1C[C@@H]([NH+](C)CCF)CC[N@@H+]1C 306547744 629656918 /nfs/dbraw/zinc/65/69/18/629656918.db2.gz GCMLIBDPRNQSED-UWVGGRQHSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@H]1C[C@@H]([NH+](C)CCF)CC[N@H+]1C 306547744 629656926 /nfs/dbraw/zinc/65/69/26/629656926.db2.gz GCMLIBDPRNQSED-UWVGGRQHSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@H]1C[C@@H]([N@H+](C)CCF)CC[NH+]1C 306547744 629656932 /nfs/dbraw/zinc/65/69/32/629656932.db2.gz GCMLIBDPRNQSED-UWVGGRQHSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@H]1C[C@@H]([N@@H+](C)CCF)CC[NH+]1C 306547744 629656936 /nfs/dbraw/zinc/65/69/36/629656936.db2.gz GCMLIBDPRNQSED-UWVGGRQHSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@@H]1C[C@H]([NH+](C)CCF)CC[N@@H+]1C 306547737 629657227 /nfs/dbraw/zinc/65/72/27/629657227.db2.gz GCMLIBDPRNQSED-NXEZZACHSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@@H]1C[C@H]([NH+](C)CCF)CC[N@H+]1C 306547737 629657230 /nfs/dbraw/zinc/65/72/30/629657230.db2.gz GCMLIBDPRNQSED-NXEZZACHSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@@H]1C[C@H]([N@@H+](C)CCF)CC[NH+]1C 306547737 629657251 /nfs/dbraw/zinc/65/72/51/629657251.db2.gz GCMLIBDPRNQSED-NXEZZACHSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@H]1C[C@H]([NH+](C)CCF)CC[N@H+]1C 306547751 629658805 /nfs/dbraw/zinc/65/88/05/629658805.db2.gz GCMLIBDPRNQSED-VHSXEESVSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@H]1C[C@H]([N@H+](C)CCF)CC[NH+]1C 306547751 629658808 /nfs/dbraw/zinc/65/88/08/629658808.db2.gz GCMLIBDPRNQSED-VHSXEESVSA-N 2 2 188.290 1.370 10 0 ADAELP C[C@H]1C[C@H]([N@@H+](C)CCF)CC[NH+]1C 306547751 629658817 /nfs/dbraw/zinc/65/88/17/629658817.db2.gz GCMLIBDPRNQSED-VHSXEESVSA-N 2 2 188.290 1.370 10 0 ADAELP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cocn2)C1 306563111 629661000 /nfs/dbraw/zinc/66/10/00/629661000.db2.gz CVMOFTYHXFHLNN-DTWKUNHWSA-N 2 2 195.266 1.034 10 0 ADAELP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cocn2)C1 306563112 629662199 /nfs/dbraw/zinc/66/21/99/629662199.db2.gz CVMOFTYHXFHLNN-IUCAKERBSA-N 2 2 195.266 1.034 10 0 ADAELP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cocn2)C1 306563110 629663523 /nfs/dbraw/zinc/66/35/23/629663523.db2.gz CVMOFTYHXFHLNN-BDAKNGLRSA-N 2 2 195.266 1.034 10 0 ADAELP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cocn2)C1 306563113 629663945 /nfs/dbraw/zinc/66/39/45/629663945.db2.gz CVMOFTYHXFHLNN-RKDXNWHRSA-N 2 2 195.266 1.034 10 0 ADAELP CC1(C)C[N@H+](CCCF)C[C@H]1[NH3+] 306743113 629673548 /nfs/dbraw/zinc/67/35/48/629673548.db2.gz WQALCDXPEDEIBZ-MRVPVSSYSA-N 2 2 174.263 1.015 10 0 ADAELP CC1(C)C[N@@H+](CCCF)C[C@H]1[NH3+] 306743113 629673556 /nfs/dbraw/zinc/67/35/56/629673556.db2.gz WQALCDXPEDEIBZ-MRVPVSSYSA-N 2 2 174.263 1.015 10 0 ADAELP CC1(C)C[N@H+](CCCF)C[C@@H]1[NH3+] 306743114 629673772 /nfs/dbraw/zinc/67/37/72/629673772.db2.gz WQALCDXPEDEIBZ-QMMMGPOBSA-N 2 2 174.263 1.015 10 0 ADAELP CC1(C)C[N@@H+](CCCF)C[C@@H]1[NH3+] 306743114 629673786 /nfs/dbraw/zinc/67/37/86/629673786.db2.gz WQALCDXPEDEIBZ-QMMMGPOBSA-N 2 2 174.263 1.015 10 0 ADAELP [NH3+]C[C@@H]1CC[N@@H+]1CCCCCF 757155282 629710793 /nfs/dbraw/zinc/71/07/93/629710793.db2.gz GAOHCLNFYRHBDG-VIFPVBQESA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+]C[C@@H]1CC[N@H+]1CCCCCF 757155282 629710796 /nfs/dbraw/zinc/71/07/96/629710796.db2.gz GAOHCLNFYRHBDG-VIFPVBQESA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+]C[C@H]1CC[N@@H+]1CCCCCF 757155277 629714276 /nfs/dbraw/zinc/71/42/76/629714276.db2.gz GAOHCLNFYRHBDG-SECBINFHSA-N 2 2 174.263 1.159 10 0 ADAELP [NH3+]C[C@H]1CC[N@H+]1CCCCCF 757155277 629714300 /nfs/dbraw/zinc/71/43/00/629714300.db2.gz GAOHCLNFYRHBDG-SECBINFHSA-N 2 2 174.263 1.159 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 307224941 629753329 /nfs/dbraw/zinc/75/33/29/629753329.db2.gz SZCYBDRZZDFDHN-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 307224941 629753337 /nfs/dbraw/zinc/75/33/37/629753337.db2.gz SZCYBDRZZDFDHN-OUAUKWLOSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C 307224942 629754133 /nfs/dbraw/zinc/75/41/33/629754133.db2.gz SZCYBDRZZDFDHN-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C 307224942 629754140 /nfs/dbraw/zinc/75/41/40/629754140.db2.gz SZCYBDRZZDFDHN-VWYCJHECSA-N 2 2 182.311 1.469 10 0 ADAELP C[NH2+][C@@H](C[NH3+])c1ccc(C)c(F)c1 82503622 522355011 /nfs/dbraw/zinc/35/50/11/522355011.db2.gz PWWZZEHYONBUHP-JTQLQIEISA-N 2 2 182.242 1.353 10 0 ADAELP C[NH2+][C@H](C[NH3+])c1ccc(C)c(F)c1 82503621 522466160 /nfs/dbraw/zinc/46/61/60/522466160.db2.gz PWWZZEHYONBUHP-SNVBAGLBSA-N 2 2 182.242 1.353 10 0 ADAELP C[NH2+]c1ccc(N2CC[NH2+]CC2)cc1 84453115 522629962 /nfs/dbraw/zinc/62/99/62/522629962.db2.gz PTLSPMFOAUSYPU-UHFFFAOYSA-N 2 2 191.278 1.138 10 0 ADAELP CCCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C 308246887 630004789 /nfs/dbraw/zinc/00/47/89/630004789.db2.gz WSWWBQXBKJPWSQ-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C 308246887 630004792 /nfs/dbraw/zinc/00/47/92/630004792.db2.gz WSWWBQXBKJPWSQ-QWRGUYRKSA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C 308246888 630005485 /nfs/dbraw/zinc/00/54/85/630005485.db2.gz WSWWBQXBKJPWSQ-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP CCCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C 308246888 630005487 /nfs/dbraw/zinc/00/54/87/630005487.db2.gz WSWWBQXBKJPWSQ-WDEREUQCSA-N 2 2 184.327 1.716 10 0 ADAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cn1 308557744 630016495 /nfs/dbraw/zinc/01/64/95/630016495.db2.gz VCFWYHBUPWZAKS-ZJUUUORDSA-N 2 2 193.294 1.215 10 0 ADAELP C[N@H+](CC(F)F)C[C@@H]1CC[C@H]([NH3+])C1 122608107 630023157 /nfs/dbraw/zinc/02/31/57/630023157.db2.gz QWADMMVWBUUXCP-SFYZADRCSA-N 2 2 192.253 1.311 10 0 ADAELP C[N@@H+](CC(F)F)C[C@@H]1CC[C@H]([NH3+])C1 122608107 630023166 /nfs/dbraw/zinc/02/31/66/630023166.db2.gz QWADMMVWBUUXCP-SFYZADRCSA-N 2 2 192.253 1.311 10 0 ADAELP c1cn(CC[NH2+]Cc2ccoc2)c[nH+]1 53520505 630033357 /nfs/dbraw/zinc/03/33/57/630033357.db2.gz AAAVPQSTRCLSCF-UHFFFAOYSA-N 2 2 191.234 1.266 10 0 ADAELP CC/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCC2 925681812 630033725 /nfs/dbraw/zinc/03/37/25/630033725.db2.gz QQDIGLKEFYWUEH-PGLGOXFNSA-N 2 2 194.322 1.827 10 0 ADAELP CC/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCC2 925681811 630033918 /nfs/dbraw/zinc/03/39/18/630033918.db2.gz QQDIGLKEFYWUEH-DLRQAJBASA-N 2 2 194.322 1.827 10 0 ADAELP CC/C=C/C[NH2+][C@H]1CC[NH2+]C12CCC2 925681814 630034076 /nfs/dbraw/zinc/03/40/76/630034076.db2.gz QQDIGLKEFYWUEH-UFFNRZRYSA-N 2 2 194.322 1.827 10 0 ADAELP CC/C=C\C[NH2+][C@H]1CC[NH2+]C12CCC2 925681809 630034170 /nfs/dbraw/zinc/03/41/70/630034170.db2.gz QQDIGLKEFYWUEH-BYCRGOAPSA-N 2 2 194.322 1.827 10 0 ADAELP C/C=C/C[NH2+][C@H]1CC[NH2+]C1(C)C 925717793 630043387 /nfs/dbraw/zinc/04/33/87/630043387.db2.gz LNNVEZDNBDVPBL-MOVJSRMASA-N 2 2 168.284 1.293 10 0 ADAELP C/C=C\C[NH2+][C@@H]1CC[NH2+]C1(C)C 925717797 630043568 /nfs/dbraw/zinc/04/35/68/630043568.db2.gz LNNVEZDNBDVPBL-XRVBUDJMSA-N 2 2 168.284 1.293 10 0 ADAELP C/C=C\C[NH2+][C@H]1CC[NH2+]C1(C)C 925717795 630043838 /nfs/dbraw/zinc/04/38/38/630043838.db2.gz LNNVEZDNBDVPBL-WBSSQXGSSA-N 2 2 168.284 1.293 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CC[NH2+]C1(C)C 925717796 630044114 /nfs/dbraw/zinc/04/41/14/630044114.db2.gz LNNVEZDNBDVPBL-XNPJLODASA-N 2 2 168.284 1.293 10 0 ADAELP C1CC[N@H+]2CCC[C@H]([NH2+]C3CC3)[C@@H]2C1 107428544 630079611 /nfs/dbraw/zinc/07/96/11/630079611.db2.gz JGNRUIANJLPFQW-RYUDHWBXSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC[N@@H+]2CCC[C@H]([NH2+]C3CC3)[C@@H]2C1 107428544 630079618 /nfs/dbraw/zinc/07/96/18/630079618.db2.gz JGNRUIANJLPFQW-RYUDHWBXSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC[N@H+]2CCC[C@@H]([NH2+]C3CC3)[C@@H]2C1 107428550 630079838 /nfs/dbraw/zinc/07/98/38/630079838.db2.gz JGNRUIANJLPFQW-NEPJUHHUSA-N 2 2 194.322 1.755 10 0 ADAELP C1CC[N@@H+]2CCC[C@@H]([NH2+]C3CC3)[C@@H]2C1 107428550 630079847 /nfs/dbraw/zinc/07/98/47/630079847.db2.gz JGNRUIANJLPFQW-NEPJUHHUSA-N 2 2 194.322 1.755 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CCC[NH2+][C@H]1C 307012174 630140806 /nfs/dbraw/zinc/14/08/06/630140806.db2.gz LZMZPUYHDVGEPX-FCVPOFOPSA-N 2 2 168.284 1.293 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 307012175 630141709 /nfs/dbraw/zinc/14/17/09/630141709.db2.gz LZMZPUYHDVGEPX-HIHHVFROSA-N 2 2 168.284 1.293 10 0 ADAELP C[NH+](C)[C@H]1CCC[N@H+](CCF)CC1 307563295 630172059 /nfs/dbraw/zinc/17/20/59/630172059.db2.gz AKWWDVFUFAHMPG-JTQLQIEISA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+](C)[C@H]1CCC[N@@H+](CCF)CC1 307563295 630172062 /nfs/dbraw/zinc/17/20/62/630172062.db2.gz AKWWDVFUFAHMPG-JTQLQIEISA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+](C)[C@@H]1CCC[N@H+](CCF)CC1 307563299 630172908 /nfs/dbraw/zinc/17/29/08/630172908.db2.gz AKWWDVFUFAHMPG-SNVBAGLBSA-N 2 2 188.290 1.372 10 0 ADAELP C[NH+](C)[C@@H]1CCC[N@@H+](CCF)CC1 307563299 630172909 /nfs/dbraw/zinc/17/29/09/630172909.db2.gz AKWWDVFUFAHMPG-SNVBAGLBSA-N 2 2 188.290 1.372 10 0 ADAELP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCF 88025602 630747303 /nfs/dbraw/zinc/74/73/03/630747303.db2.gz BPFXFPTWMBSSQB-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP C[NH2+]C[C@H]1CCCC[N@H+]1CCCF 88025602 630747305 /nfs/dbraw/zinc/74/73/05/630747305.db2.gz BPFXFPTWMBSSQB-SNVBAGLBSA-N 2 2 188.290 1.420 10 0 ADAELP [NH3+][C@@H]1CC[C@H](CNc2cccc[nH+]2)C1 211520832 630757619 /nfs/dbraw/zinc/75/76/19/630757619.db2.gz NAZXZJRGPXYUQK-VHSXEESVSA-N 2 2 191.278 1.621 10 0 ADAELP Cc1[nH]c(C)c(Cn2cc[nH+]c2C)[nH+]1 917358579 630792361 /nfs/dbraw/zinc/79/23/61/630792361.db2.gz BVKKFVNZMMOSOR-UHFFFAOYSA-N 2 2 190.250 1.580 10 0 ADAELP Cc1[nH]c(Cn2cc[nH+]c2C)c(C)[nH+]1 917358579 630792367 /nfs/dbraw/zinc/79/23/67/630792367.db2.gz BVKKFVNZMMOSOR-UHFFFAOYSA-N 2 2 190.250 1.580 10 0 ADAELP C[NH+](C)CCC[NH2+]Cc1ccoc1 62103310 630874481 /nfs/dbraw/zinc/87/44/81/630874481.db2.gz CHHZXWLQAVQCNZ-UHFFFAOYSA-N 2 2 182.267 1.321 10 0 ADAELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccoc1 62103838 630875045 /nfs/dbraw/zinc/87/50/45/630875045.db2.gz YAUXPXDEWGFJPV-JTQLQIEISA-N 2 2 196.294 1.709 10 0 ADAELP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccoc1 62103839 630877159 /nfs/dbraw/zinc/87/71/59/630877159.db2.gz YAUXPXDEWGFJPV-SNVBAGLBSA-N 2 2 196.294 1.709 10 0 ADAELP C[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1[NH3+] 235677045 524640440 /nfs/dbraw/zinc/64/04/40/524640440.db2.gz BLDBNBLKEYFHTQ-WPRPVWTQSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1[NH3+] 235677045 524640447 /nfs/dbraw/zinc/64/04/47/524640447.db2.gz BLDBNBLKEYFHTQ-WPRPVWTQSA-N 2 2 196.319 1.527 10 0 ADAELP C[C@H]1CN(c2cccc[nH+]2)CC[C@H]1[NH3+] 251734389 524673820 /nfs/dbraw/zinc/67/38/20/524673820.db2.gz KMAUHLTXMAICDY-VHSXEESVSA-N 2 2 191.278 1.255 10 0 ADAELP CC(=O)C1CC[NH+](CC(C)(C)[NH3+])CC1 873227930 631007428 /nfs/dbraw/zinc/00/74/28/631007428.db2.gz PEVYWZAXTPRYPD-UHFFFAOYSA-N 2 2 198.310 1.025 10 0 ADAELP CC(C)=CC[NH2+][C@@H]1CC[NH2+]C12CCC2 925658534 631047165 /nfs/dbraw/zinc/04/71/65/631047165.db2.gz PFFKQFLBNIIISK-LLVKDONJSA-N 2 2 194.322 1.827 10 0 ADAELP CC(C)=CC[NH2+][C@H]1CC[NH2+]C12CCC2 925658536 631047721 /nfs/dbraw/zinc/04/77/21/631047721.db2.gz PFFKQFLBNIIISK-NSHDSACASA-N 2 2 194.322 1.827 10 0 ADAELP C/C=C/C[NH2+][C@H]1CC[NH2+]C12CCC2 925719318 631049328 /nfs/dbraw/zinc/04/93/28/631049328.db2.gz RDZHAKMEOWXEDW-PBKGFPTLSA-N 2 2 180.295 1.437 10 0 ADAELP C/C=C\C[NH2+][C@H]1CC[NH2+]C12CCC2 925719320 631049420 /nfs/dbraw/zinc/04/94/20/631049420.db2.gz RDZHAKMEOWXEDW-ZMWSMAPVSA-N 2 2 180.295 1.437 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)F 925724947 631049644 /nfs/dbraw/zinc/04/96/44/631049644.db2.gz ODKKTDLOUGCQHZ-IUCAKERBSA-N 2 2 188.290 1.465 10 0 ADAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)F 925724946 631050325 /nfs/dbraw/zinc/05/03/25/631050325.db2.gz ODKKTDLOUGCQHZ-DTWKUNHWSA-N 2 2 188.290 1.465 10 0 ADAELP C/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCC2 925719319 631050524 /nfs/dbraw/zinc/05/05/24/631050524.db2.gz RDZHAKMEOWXEDW-VMZHVLLKSA-N 2 2 180.295 1.437 10 0 ADAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)F 925724945 631050950 /nfs/dbraw/zinc/05/09/50/631050950.db2.gz ODKKTDLOUGCQHZ-BDAKNGLRSA-N 2 2 188.290 1.465 10 0 ADAELP C/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCC2 925719317 631051149 /nfs/dbraw/zinc/05/11/49/631051149.db2.gz RDZHAKMEOWXEDW-MXQLGCADSA-N 2 2 180.295 1.437 10 0 ADAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)F 925724948 631053212 /nfs/dbraw/zinc/05/32/12/631053212.db2.gz ODKKTDLOUGCQHZ-RKDXNWHRSA-N 2 2 188.290 1.465 10 0 ADAELP CC(C)[N@@H+]1CCc2[nH+]ccc(N)c2C1 931511379 631124265 /nfs/dbraw/zinc/12/42/65/631124265.db2.gz GAIGIFVCBSGKIV-UHFFFAOYSA-N 2 2 191.278 1.430 10 0 ADAELP CC(C)[N@H+]1CCc2[nH+]ccc(N)c2C1 931511379 631124267 /nfs/dbraw/zinc/12/42/67/631124267.db2.gz GAIGIFVCBSGKIV-UHFFFAOYSA-N 2 2 191.278 1.430 10 0 ADAELP CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 931507718 631124306 /nfs/dbraw/zinc/12/43/06/631124306.db2.gz BDGAYWNMTPKLSX-UHFFFAOYSA-N 2 2 191.278 1.432 10 0 ADAELP CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 931507718 631124307 /nfs/dbraw/zinc/12/43/07/631124307.db2.gz BDGAYWNMTPKLSX-UHFFFAOYSA-N 2 2 191.278 1.432 10 0 ADAELP CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 931511408 631124332 /nfs/dbraw/zinc/12/43/32/631124332.db2.gz LUTWBQHTKJZLMI-UHFFFAOYSA-N 2 2 177.251 1.042 10 0 ADAELP CC[N@H+]1CCc2[nH+]ccc(N)c2C1 931511408 631124333 /nfs/dbraw/zinc/12/43/33/631124333.db2.gz LUTWBQHTKJZLMI-UHFFFAOYSA-N 2 2 177.251 1.042 10 0 ADAELP Cc1ccc(N2CC[NH2+][C@H](C)C2)c[nH+]1 62948425 524965345 /nfs/dbraw/zinc/96/53/45/524965345.db2.gz RGSHTMLIGLVBRE-SNVBAGLBSA-N 2 2 191.278 1.188 10 0 ADAELP Cc1ccc(N2CC[NH2+]C[C@@H]2C)c[nH+]1 83341688 524965810 /nfs/dbraw/zinc/96/58/10/524965810.db2.gz IOJJUPCYLHERHG-JTQLQIEISA-N 2 2 191.278 1.188 10 0 ADAELP Cc1ccc(N2CC[NH2+][C@@H](C)C2)c[nH+]1 62948426 524965971 /nfs/dbraw/zinc/96/59/71/524965971.db2.gz RGSHTMLIGLVBRE-JTQLQIEISA-N 2 2 191.278 1.188 10 0 ADAELP Cc1ccc(N2CC[NH2+]CC2)c(C)[nH+]1 82890458 524966124 /nfs/dbraw/zinc/96/61/24/524966124.db2.gz BRQXQRALIRAOMB-UHFFFAOYSA-N 2 2 191.278 1.108 10 0 ADAELP Cc1ccc(N2CC[NH2+]C[C@H]2C)c[nH+]1 83341689 524966730 /nfs/dbraw/zinc/96/67/30/524966730.db2.gz IOJJUPCYLHERHG-SNVBAGLBSA-N 2 2 191.278 1.188 10 0 ADAELP C[C@@H]1CN(c2cccc[nH+]2)CC[C@H]1[NH3+] 251734384 525069581 /nfs/dbraw/zinc/06/95/81/525069581.db2.gz KMAUHLTXMAICDY-NXEZZACHSA-N 2 2 191.278 1.255 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccnc1 84352228 525090504 /nfs/dbraw/zinc/09/05/04/525090504.db2.gz UTJDXTXSXJUFEE-ONGXEEELSA-N 2 2 191.278 1.003 10 0 ADAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccnc1 84352228 525090495 /nfs/dbraw/zinc/09/04/95/525090495.db2.gz UTJDXTXSXJUFEE-ONGXEEELSA-N 2 2 191.278 1.003 10 0 ADAELP CCC(CC)[NH2+]CC[NH+]1CCCC1 20126846 1224164227 /nfs/dbraw/zinc/16/42/27/1224164227.db2.gz AKSBHUFKLIDEEQ-UHFFFAOYSA-N 2 2 184.327 1.860 10 0 ADAELP FC(F)(F)CC[NH2+][C@@H]1CCC[NH2+]C1 63099756 1224174317 /nfs/dbraw/zinc/17/43/17/1224174317.db2.gz JHOWZQVLCVCNBV-SSDOTTSWSA-N 2 2 196.216 1.280 10 0 ADAELP C1=C(c2cccc3[nH+]ccn23)C[NH2+]C1 166480951 1224198614 /nfs/dbraw/zinc/19/86/14/1224198614.db2.gz INEDBKWRFQQJQP-UHFFFAOYSA-N 2 2 185.230 1.321 10 0 ADAELP CC[N@H+](C(C)C)C1CC[NH+](C)CC1 202641101 1224212964 /nfs/dbraw/zinc/21/29/64/1224212964.db2.gz SNYVJHOLRNYMOD-UHFFFAOYSA-N 2 2 184.327 1.811 10 0 ADAELP CC[N@@H+](C(C)C)C1CC[NH+](C)CC1 202641101 1224212974 /nfs/dbraw/zinc/21/29/74/1224212974.db2.gz SNYVJHOLRNYMOD-UHFFFAOYSA-N 2 2 184.327 1.811 10 0 ADAELP C[C@H]([NH3+])C[NH+]1CCC(C(F)F)CC1 306429742 1224258532 /nfs/dbraw/zinc/25/85/32/1224258532.db2.gz FTXXIRKTBQGEEZ-ZETCQYMHSA-N 2 2 192.253 1.311 10 0 ADAELP CC1CCC([NH2+]CC2C[NH+](C)C2)CC1 306815317 1224273778 /nfs/dbraw/zinc/27/37/78/1224273778.db2.gz DGEXJKPGBAAOCG-UHFFFAOYSA-N 2 2 196.338 1.716 10 0 ADAELP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CC23CCCC3)C1 307145480 1224277900 /nfs/dbraw/zinc/27/79/00/1224277900.db2.gz JFQUKHCRHGLMEZ-WDEREUQCSA-N 2 2 194.322 1.661 10 0 ADAELP C1C[NH2+]C[C@H]([NH2+][C@H]2CC23CCCC3)C1 307145477 1224277967 /nfs/dbraw/zinc/27/79/67/1224277967.db2.gz JFQUKHCRHGLMEZ-MNOVXSKESA-N 2 2 194.322 1.661 10 0 ADAELP C1C[NH2+]C[C@@H]([NH2+][C@H]2CC23CCCC3)C1 307145478 1224278218 /nfs/dbraw/zinc/27/82/18/1224278218.db2.gz JFQUKHCRHGLMEZ-QWRGUYRKSA-N 2 2 194.322 1.661 10 0 ADAELP C1C[NH2+]C[C@H]([NH2+][C@@H]2CC23CCCC3)C1 307145476 1224278417 /nfs/dbraw/zinc/27/84/17/1224278417.db2.gz JFQUKHCRHGLMEZ-GHMZBOCLSA-N 2 2 194.322 1.661 10 0 ADAELP C[NH+]1CC(C[NH2+]C2CCCC2)C1 307269252 1224280964 /nfs/dbraw/zinc/28/09/64/1224280964.db2.gz GRAWMRVPMSBPJA-UHFFFAOYSA-N 2 2 168.284 1.080 10 0 ADAELP C[C@@H]1CC[C@H]([NH2+]CC2C[NH+](C)C2)C1 307466869 1224283945 /nfs/dbraw/zinc/28/39/45/1224283945.db2.gz OORJZCRMIWVFSW-KOLCDFICSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CC[C@@H]([NH2+]CC2C[NH+](C)C2)C1 307466868 1224284495 /nfs/dbraw/zinc/28/44/95/1224284495.db2.gz OORJZCRMIWVFSW-GXSJLCMTSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](C)C2)C1 307466871 1224284561 /nfs/dbraw/zinc/28/45/61/1224284561.db2.gz OORJZCRMIWVFSW-MWLCHTKSSA-N 2 2 182.311 1.326 10 0 ADAELP C[C@H]1CC[C@H]([NH2+]CC2C[NH+](C)C2)C1 307466872 1224284840 /nfs/dbraw/zinc/28/48/40/1224284840.db2.gz OORJZCRMIWVFSW-ONGXEEELSA-N 2 2 182.311 1.326 10 0 ADAELP CCSCC[NH2+][C@H]1CCC[NH2+]C1 308012869 1224293107 /nfs/dbraw/zinc/29/31/07/1224293107.db2.gz GLLFKBOQYTZTOZ-VIFPVBQESA-N 2 2 188.340 1.081 10 0 ADAELP CCSCC[NH2+][C@@H]1CCC[NH2+]C1 308012867 1224293235 /nfs/dbraw/zinc/29/32/35/1224293235.db2.gz GLLFKBOQYTZTOZ-SECBINFHSA-N 2 2 188.340 1.081 10 0 ADAELP CCC[C@H](CC)[NH2+]CC1C[NH+](C)C1 379471831 1224316257 /nfs/dbraw/zinc/31/62/57/1224316257.db2.gz JCIUWJXCRFULMI-NSHDSACASA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](C)C2)C1 379478989 1224316656 /nfs/dbraw/zinc/31/66/56/1224316656.db2.gz NBNGWJCEUDAFFK-ZYHUDNBSSA-N 2 2 196.338 1.716 10 0 ADAELP CCC[C@@H](C)[NH2+]CC1C[NH+](C)C1 379422412 1224314868 /nfs/dbraw/zinc/31/48/68/1224314868.db2.gz BADAAFRVGNVUEO-SECBINFHSA-N 2 2 170.300 1.326 10 0 ADAELP CCC[C@H](C)[NH2+]CC1C[NH+](C)C1 379422415 1224315096 /nfs/dbraw/zinc/31/50/96/1224315096.db2.gz BADAAFRVGNVUEO-VIFPVBQESA-N 2 2 170.300 1.326 10 0 ADAELP CCC(CC)[NH2+]CC1C[NH+](C)C1 379425154 1224315272 /nfs/dbraw/zinc/31/52/72/1224315272.db2.gz CEUMJQHHSWTRLO-UHFFFAOYSA-N 2 2 170.300 1.326 10 0 ADAELP C[C@@H](CC1CC1)[NH2+]CC1C[NH+](C)C1 379476708 1224316055 /nfs/dbraw/zinc/31/60/55/1224316055.db2.gz VRCNTHSWYALYJX-VIFPVBQESA-N 2 2 182.311 1.326 10 0 ADAELP CC(C)CC[C@@H](C)[NH2+]CC1C[NH+](C)C1 379475869 1224316188 /nfs/dbraw/zinc/31/61/88/1224316188.db2.gz QWDSPMWAGOFNGX-LLVKDONJSA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@H]1CC[C@@H]([NH2+]CC2C[NH+](C)C2)C1 379478986 1224316225 /nfs/dbraw/zinc/31/62/25/1224316225.db2.gz NBNGWJCEUDAFFK-CMPLNLGQSA-N 2 2 196.338 1.716 10 0 ADAELP CCCC[C@@H](C)[NH2+]CC1C[NH+](C)C1 379473662 1224316239 /nfs/dbraw/zinc/31/62/39/1224316239.db2.gz LYSHOSISRIGSCO-SNVBAGLBSA-N 2 2 184.327 1.716 10 0 ADAELP CC(C)CC[C@H](C)[NH2+]CC1C[NH+](C)C1 379475870 1224316304 /nfs/dbraw/zinc/31/63/04/1224316304.db2.gz QWDSPMWAGOFNGX-NSHDSACASA-N 2 2 198.354 1.962 10 0 ADAELP CC[C@@H]1CC[C@H]([NH2+]CC2C[NH+](C)C2)C1 379478988 1224316374 /nfs/dbraw/zinc/31/63/74/1224316374.db2.gz NBNGWJCEUDAFFK-PWSUYJOCSA-N 2 2 196.338 1.716 10 0 ADAELP CCCC[C@H](C)[NH2+]CC1C[NH+](C)C1 379473661 1224316421 /nfs/dbraw/zinc/31/64/21/1224316421.db2.gz LYSHOSISRIGSCO-JTQLQIEISA-N 2 2 184.327 1.716 10 0 ADAELP CCC[C@@H](CC)[NH2+]CC1C[NH+](C)C1 379471830 1224316453 /nfs/dbraw/zinc/31/64/53/1224316453.db2.gz JCIUWJXCRFULMI-LLVKDONJSA-N 2 2 184.327 1.716 10 0 ADAELP CC[C@H]1CC[C@H]([NH2+]CC2C[NH+](C)C2)C1 379478987 1224316495 /nfs/dbraw/zinc/31/64/95/1224316495.db2.gz NBNGWJCEUDAFFK-JQWIXIFHSA-N 2 2 196.338 1.716 10 0 ADAELP C[C@H](CC1CC1)[NH2+]CC1C[NH+](C)C1 379476707 1224316615 /nfs/dbraw/zinc/31/66/15/1224316615.db2.gz VRCNTHSWYALYJX-SECBINFHSA-N 2 2 182.311 1.326 10 0 ADAELP c1cn(CC[NH2+][C@H]2C[C@@H]3C[C@@H]3C2)c[nH+]1 397741573 1224337900 /nfs/dbraw/zinc/33/79/00/1224337900.db2.gz KSQCSKWWIMNQMS-JGPRNRPPSA-N 2 2 191.278 1.271 10 0 ADAELP CC[NH+](CC)CC[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397843562 1224338969 /nfs/dbraw/zinc/33/89/69/1224338969.db2.gz PGYIKJUTJRUTOB-ZSBIGDGJSA-N 2 2 196.338 1.716 10 0 ADAELP Cc1cc[nH+]cc1N1CC[NH2+]C[C@H]1C 83087462 525754796 /nfs/dbraw/zinc/75/47/96/525754796.db2.gz SANJVXVURCSQQO-SNVBAGLBSA-N 2 2 191.278 1.188 10 0 ADAELP Cc1cc[nH+]cc1N1CC[NH2+][C@@H](C)C1 83084408 525755729 /nfs/dbraw/zinc/75/57/29/525755729.db2.gz XRYXPPSGJLCVCA-JTQLQIEISA-N 2 2 191.278 1.188 10 0 ADAELP Cc1cc[nH+]cc1N1CC[NH2+][C@H](C)C1 83084407 525755783 /nfs/dbraw/zinc/75/57/83/525755783.db2.gz XRYXPPSGJLCVCA-SNVBAGLBSA-N 2 2 191.278 1.188 10 0 ADAELP Cc1cc[nH+]cc1N1CC[NH2+]C[C@@H]1C 83087460 525756232 /nfs/dbraw/zinc/75/62/32/525756232.db2.gz SANJVXVURCSQQO-JTQLQIEISA-N 2 2 191.278 1.188 10 0 ADAELP CC[C@H]1CC[C@@H]1[NH2+]CC[NH+](C)C 388394017 538431696 /nfs/dbraw/zinc/43/16/96/538431696.db2.gz FUGXQBFBUCGXAY-UWVGGRQHSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@@H]1CC[C@@H]1[NH2+]CC[NH+](C)C 388394019 538431705 /nfs/dbraw/zinc/43/17/05/538431705.db2.gz FUGXQBFBUCGXAY-ZJUUUORDSA-N 2 2 170.300 1.326 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C 389270617 538440253 /nfs/dbraw/zinc/44/02/53/538440253.db2.gz LMBHOIQLUBLVQS-WHOHXGKFSA-N 2 2 198.354 1.961 10 0 ADAELP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C 389270617 538440254 /nfs/dbraw/zinc/44/02/54/538440254.db2.gz LMBHOIQLUBLVQS-WHOHXGKFSA-N 2 2 198.354 1.961 10 0 ADAELP