smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH2+][C@H](C)CC1CCCCC1 ZINC000001656360 583081516 /nfs/dbraw/zinc/08/15/16/583081516.db2.gz ZZRNJGRAXSRHRL-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[NH2+]C[C@H](CC)CCCC ZINC000005821768 583159167 /nfs/dbraw/zinc/15/91/67/583159167.db2.gz WNTBDUYEISRPNS-GFCCVEGCSA-N 1 0 185.355 3.593 20 0 AHADRO CCCC[NH2+]C[C@@H](CC)CCCC ZINC000005822085 583159237 /nfs/dbraw/zinc/15/92/37/583159237.db2.gz WNTBDUYEISRPNS-LBPRGKRZSA-N 1 0 185.355 3.593 20 0 AHADRO CC(C)CCCCCC[NH2+]C(C)C ZINC000019232336 583355934 /nfs/dbraw/zinc/35/59/34/583355934.db2.gz OOMAPSRFCKLAFY-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000019807365 343060791 /nfs/dbraw/zinc/06/07/91/343060791.db2.gz IBRJFHZMVDILHN-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000019807366 167004161 /nfs/dbraw/zinc/00/41/61/167004161.db2.gz IBRJFHZMVDILHN-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000019807367 166999085 /nfs/dbraw/zinc/99/90/85/166999085.db2.gz IBRJFHZMVDILHN-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000019807368 167002819 /nfs/dbraw/zinc/00/28/19/167002819.db2.gz IBRJFHZMVDILHN-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000019808006 167259147 /nfs/dbraw/zinc/25/91/47/167259147.db2.gz NQAYOJYQBZJZGN-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000019808037 167284191 /nfs/dbraw/zinc/28/41/91/167284191.db2.gz YMJGAUDUWGNBOH-NSHDSACASA-N 1 0 199.297 3.510 20 0 AHADRO CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000019808038 167298871 /nfs/dbraw/zinc/29/88/71/167298871.db2.gz YMJGAUDUWGNBOH-LLVKDONJSA-N 1 0 199.297 3.510 20 0 AHADRO CCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000019808144 343060864 /nfs/dbraw/zinc/06/08/64/343060864.db2.gz FWIHMKRULOLWKW-ZDUSSCGKSA-N 1 0 191.318 3.527 20 0 AHADRO CCC[NH2+][C@H](CCC)c1ccccc1 ZINC000019808146 167000012 /nfs/dbraw/zinc/00/00/12/167000012.db2.gz FWIHMKRULOLWKW-CYBMUJFWSA-N 1 0 191.318 3.527 20 0 AHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000019878760 167035875 /nfs/dbraw/zinc/03/58/75/167035875.db2.gz FWXGRHFHDICVAM-NEPJUHHUSA-N 1 0 191.318 3.526 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000019878764 167070591 /nfs/dbraw/zinc/07/05/91/167070591.db2.gz FWXGRHFHDICVAM-RYUDHWBXSA-N 1 0 191.318 3.526 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000019878766 167035201 /nfs/dbraw/zinc/03/52/01/167035201.db2.gz FWXGRHFHDICVAM-VXGBXAGGSA-N 1 0 191.318 3.526 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000019878768 167071574 /nfs/dbraw/zinc/07/15/74/167071574.db2.gz FWXGRHFHDICVAM-NWDGAFQWSA-N 1 0 191.318 3.526 20 0 AHADRO CCCC(CCC)[NH2+]C1CCCCC1 ZINC000019879177 166835031 /nfs/dbraw/zinc/83/50/31/166835031.db2.gz NTFZDALLIMFZPY-UHFFFAOYSA-N 1 0 197.366 3.878 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+]C1CCCCC1 ZINC000019879178 351396509 /nfs/dbraw/zinc/39/65/09/351396509.db2.gz LMGXCGZCDUGRKK-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CC[C@H](C)[NH2+]C1CCCCC1 ZINC000019879179 166452878 /nfs/dbraw/zinc/45/28/78/166452878.db2.gz LMGXCGZCDUGRKK-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H]([NH2+]C(C)C)c1ccccc1 ZINC000019881072 167047106 /nfs/dbraw/zinc/04/71/06/167047106.db2.gz QADWGTJCAJYDTD-CYBMUJFWSA-N 1 0 191.318 3.526 20 0 AHADRO CCC[C@H]([NH2+]C(C)C)c1ccccc1 ZINC000019881074 167083324 /nfs/dbraw/zinc/08/33/24/167083324.db2.gz QADWGTJCAJYDTD-ZDUSSCGKSA-N 1 0 191.318 3.526 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CC ZINC000019882837 582703976 /nfs/dbraw/zinc/70/39/76/582703976.db2.gz MCVIMJOOVFRVPC-SDDRHHMPSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CC ZINC000019882841 167604598 /nfs/dbraw/zinc/60/45/98/167604598.db2.gz MCVIMJOOVFRVPC-SRVKXCTJSA-N 1 0 185.355 3.589 20 0 AHADRO C1CCC([NH2+]C2CCCCCCC2)C1 ZINC000019883333 166089762 /nfs/dbraw/zinc/08/97/62/166089762.db2.gz NIEQULWIIFZEKM-UHFFFAOYSA-N 1 0 195.350 3.632 20 0 AHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CCCC1 ZINC000019883660 582703981 /nfs/dbraw/zinc/70/39/81/582703981.db2.gz GUVBQSQRKSRYNT-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CCCC1 ZINC000019883661 517817663 /nfs/dbraw/zinc/81/76/63/517817663.db2.gz GUVBQSQRKSRYNT-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CCCC1 ZINC000019883663 582704109 /nfs/dbraw/zinc/70/41/09/582704109.db2.gz GUVBQSQRKSRYNT-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CCCC1 ZINC000019883664 582704032 /nfs/dbraw/zinc/70/40/32/582704032.db2.gz GUVBQSQRKSRYNT-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019883771 343063752 /nfs/dbraw/zinc/06/37/52/343063752.db2.gz KMSNDLPYBVGUMJ-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000019883778 343063924 /nfs/dbraw/zinc/06/39/24/343063924.db2.gz KMSNDLPYBVGUMJ-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(CCC)[NH2+]C(CC)CC ZINC000019884063 166836099 /nfs/dbraw/zinc/83/60/99/166836099.db2.gz QXEILPAVABAMDU-UHFFFAOYSA-N 1 0 185.355 3.733 20 0 AHADRO CCC(CC)[NH2+][C@@H](C)CCC(C)C ZINC000019884064 582704165 /nfs/dbraw/zinc/70/41/65/582704165.db2.gz ATOYIQXUYQROIE-NSHDSACASA-N 1 0 185.355 3.589 20 0 AHADRO CCC(CC)[NH2+][C@H](C)CCC(C)C ZINC000019884065 166796848 /nfs/dbraw/zinc/79/68/48/166796848.db2.gz ATOYIQXUYQROIE-LLVKDONJSA-N 1 0 185.355 3.589 20 0 AHADRO CCCCC[NH2+][C@@H](C)CCC(C)C ZINC000019901517 582703626 /nfs/dbraw/zinc/70/36/26/582703626.db2.gz IYYYIRKWSSHOCN-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[NH2+][C@H](C)CCC(C)C ZINC000019901519 166865202 /nfs/dbraw/zinc/86/52/02/166865202.db2.gz IYYYIRKWSSHOCN-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019902606 167070148 /nfs/dbraw/zinc/07/01/48/167070148.db2.gz RVWAMQIRLQQVSC-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000019903079 167036571 /nfs/dbraw/zinc/03/65/71/167036571.db2.gz JDFSDMATLWSABS-NEPJUHHUSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](C)CCC(C)C ZINC000019903080 167070103 /nfs/dbraw/zinc/07/01/03/167070103.db2.gz JDFSDMATLWSABS-RYUDHWBXSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H](C)CCC(C)C ZINC000019903081 167035820 /nfs/dbraw/zinc/03/58/20/167035820.db2.gz JDFSDMATLWSABS-VXGBXAGGSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](C)CCC(C)C ZINC000019903082 167070007 /nfs/dbraw/zinc/07/00/07/167070007.db2.gz JDFSDMATLWSABS-NWDGAFQWSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000019907148 166900137 /nfs/dbraw/zinc/90/01/37/166900137.db2.gz WUXGUQASMAZNDU-RYUDHWBXSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000019907149 166900793 /nfs/dbraw/zinc/90/07/93/166900793.db2.gz WUXGUQASMAZNDU-NWDGAFQWSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000019907150 166899843 /nfs/dbraw/zinc/89/98/43/166899843.db2.gz WUXGUQASMAZNDU-NEPJUHHUSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@H](CC)C[C@H](C)CC ZINC000019907151 582704021 /nfs/dbraw/zinc/70/40/21/582704021.db2.gz WUXGUQASMAZNDU-VXGBXAGGSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000019907154 343064061 /nfs/dbraw/zinc/06/40/61/343064061.db2.gz AUKQTGSWKANYSI-JTQLQIEISA-N 1 0 197.347 3.507 20 0 AHADRO CCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000019907155 343064015 /nfs/dbraw/zinc/06/40/15/343064015.db2.gz AUKQTGSWKANYSI-SNVBAGLBSA-N 1 0 197.347 3.507 20 0 AHADRO CC(C)[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000019910033 343064020 /nfs/dbraw/zinc/06/40/20/343064020.db2.gz SZYFXTOSCQICOP-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)[C@H](C)[NH2+]C1CCCCCCC1 ZINC000019910036 343064212 /nfs/dbraw/zinc/06/42/12/343064212.db2.gz SZYFXTOSCQICOP-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+]CCC(C)C ZINC000019912150 582703950 /nfs/dbraw/zinc/70/39/50/582703950.db2.gz YCOZHWIOUXYWDU-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)C[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000019917851 166482754 /nfs/dbraw/zinc/48/27/54/166482754.db2.gz DTKQVVMTWMICTR-OTTFEQOBSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000019917853 582703821 /nfs/dbraw/zinc/70/38/21/582703821.db2.gz DTKQVVMTWMICTR-CPCZMJQVSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000019963257 541301575 /nfs/dbraw/zinc/30/15/75/541301575.db2.gz OCOIUIKZIPOXNH-NTZNESFSSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000019963259 166799020 /nfs/dbraw/zinc/79/90/20/166799020.db2.gz OCOIUIKZIPOXNH-GMXVVIOVSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CCC(C)C ZINC000019979578 583374635 /nfs/dbraw/zinc/37/46/35/583374635.db2.gz WEXXIMJKAONAKF-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[C@H](C)[NH2+]CCC(C)C ZINC000019979582 583374721 /nfs/dbraw/zinc/37/47/21/583374721.db2.gz WEXXIMJKAONAKF-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@@H](CC)C[NH2+]C1CCCC1 ZINC000019985959 166914366 /nfs/dbraw/zinc/91/43/66/166914366.db2.gz WYRRPQYWPPICTK-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@H](CC)C[NH2+]C1CCCC1 ZINC000019985963 166924482 /nfs/dbraw/zinc/92/44/82/166924482.db2.gz WYRRPQYWPPICTK-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@@H](C)[NH2+]C(CC)CC ZINC000020006213 630034115 /nfs/dbraw/zinc/03/41/15/630034115.db2.gz JVXKIOFXEHBAJS-LLVKDONJSA-N 1 0 185.355 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+]C(CC)CC ZINC000020006216 630034033 /nfs/dbraw/zinc/03/40/33/630034033.db2.gz JVXKIOFXEHBAJS-NSHDSACASA-N 1 0 185.355 3.733 20 0 AHADRO CCCCCC[NH2+]C1CCC(C)CC1 ZINC000020007551 583376271 /nfs/dbraw/zinc/37/62/71/583376271.db2.gz VCNQAWDVIOWUNO-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000020085698 537781271 /nfs/dbraw/zinc/78/12/71/537781271.db2.gz DGVLBVGOXQBCRT-ZJUUUORDSA-N 1 0 197.347 3.587 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000020085699 537782937 /nfs/dbraw/zinc/78/29/37/537782937.db2.gz DGVLBVGOXQBCRT-UWVGGRQHSA-N 1 0 197.347 3.587 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000020085700 537782031 /nfs/dbraw/zinc/78/20/31/537782031.db2.gz DGVLBVGOXQBCRT-NXEZZACHSA-N 1 0 197.347 3.587 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1cccs1 ZINC000020085701 537780262 /nfs/dbraw/zinc/78/02/62/537780262.db2.gz DGVLBVGOXQBCRT-VHSXEESVSA-N 1 0 197.347 3.587 20 0 AHADRO CCCC[NH2+][C@@H](CC)c1cccs1 ZINC000020088091 343067866 /nfs/dbraw/zinc/06/78/66/343067866.db2.gz DCDVUPYPALZZBC-JTQLQIEISA-N 1 0 197.347 3.589 20 0 AHADRO CCCC[NH2+][C@H](CC)c1cccs1 ZINC000020088093 343067681 /nfs/dbraw/zinc/06/76/81/343067681.db2.gz DCDVUPYPALZZBC-SNVBAGLBSA-N 1 0 197.347 3.589 20 0 AHADRO CC(C)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000020093693 166572084 /nfs/dbraw/zinc/57/20/84/166572084.db2.gz MGVJMVWPCNAIJJ-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000020093695 343067759 /nfs/dbraw/zinc/06/77/59/343067759.db2.gz MGVJMVWPCNAIJJ-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CCCCCC[NH2+][C@@H](C)c1ccco1 ZINC000020143597 583377517 /nfs/dbraw/zinc/37/75/17/583377517.db2.gz CGBBPXCHUSDXCQ-NSHDSACASA-N 1 0 195.306 3.511 20 0 AHADRO CCCCCC[NH2+][C@H](C)c1ccco1 ZINC000020143600 583377948 /nfs/dbraw/zinc/37/79/48/583377948.db2.gz CGBBPXCHUSDXCQ-LLVKDONJSA-N 1 0 195.306 3.511 20 0 AHADRO CCCCCC[C@@H](C)[NH2+]C1CCCC1 ZINC000020306091 343071590 /nfs/dbraw/zinc/07/15/90/343071590.db2.gz JQVPGZUBOSEHIE-GFCCVEGCSA-N 1 0 197.366 3.878 20 0 AHADRO CCCCCC[C@H](C)[NH2+]C1CCCC1 ZINC000020306093 343071554 /nfs/dbraw/zinc/07/15/54/343071554.db2.gz JQVPGZUBOSEHIE-LBPRGKRZSA-N 1 0 197.366 3.878 20 0 AHADRO CCCCCC[C@@H](C)[NH2+]CC(C)C ZINC000020306103 583380224 /nfs/dbraw/zinc/38/02/24/583380224.db2.gz GVMMJGWJPWHFCJ-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[C@H](C)[NH2+]CC(C)C ZINC000020306104 166857590 /nfs/dbraw/zinc/85/75/90/166857590.db2.gz GVMMJGWJPWHFCJ-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[C@@H](C)[NH2+]CCCC ZINC000020307088 166853924 /nfs/dbraw/zinc/85/39/24/166853924.db2.gz QGYAVCYUFLSWDW-GFCCVEGCSA-N 1 0 185.355 3.735 20 0 AHADRO CCCCCC[C@H](C)[NH2+]CCCC ZINC000020307089 583380176 /nfs/dbraw/zinc/38/01/76/583380176.db2.gz QGYAVCYUFLSWDW-LBPRGKRZSA-N 1 0 185.355 3.735 20 0 AHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)CC ZINC000020519875 583381724 /nfs/dbraw/zinc/38/17/24/583381724.db2.gz WYULIMQRZPLOAC-NWDGAFQWSA-N 1 0 185.355 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)CC ZINC000020519876 583382013 /nfs/dbraw/zinc/38/20/13/583382013.db2.gz WYULIMQRZPLOAC-RYUDHWBXSA-N 1 0 185.355 3.733 20 0 AHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)CC ZINC000020519877 583381325 /nfs/dbraw/zinc/38/13/25/583381325.db2.gz WYULIMQRZPLOAC-VXGBXAGGSA-N 1 0 185.355 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@H](C)CC ZINC000020519878 583382443 /nfs/dbraw/zinc/38/24/43/583382443.db2.gz WYULIMQRZPLOAC-NEPJUHHUSA-N 1 0 185.355 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000020522612 583381882 /nfs/dbraw/zinc/38/18/82/583381882.db2.gz NYIRMRYBIIISGI-NEPJUHHUSA-N 1 0 185.355 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000020522614 583381440 /nfs/dbraw/zinc/38/14/40/583381440.db2.gz NYIRMRYBIIISGI-RYUDHWBXSA-N 1 0 185.355 3.589 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000020522616 583381932 /nfs/dbraw/zinc/38/19/32/583381932.db2.gz NYIRMRYBIIISGI-VXGBXAGGSA-N 1 0 185.355 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H](C)C(C)C ZINC000020522618 583381295 /nfs/dbraw/zinc/38/12/95/583381295.db2.gz NYIRMRYBIIISGI-NWDGAFQWSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)CC ZINC000020557640 582705005 /nfs/dbraw/zinc/70/50/05/582705005.db2.gz VVWBFNYGKQUSKD-NWDGAFQWSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)CC ZINC000020557642 582704583 /nfs/dbraw/zinc/70/45/83/582704583.db2.gz VVWBFNYGKQUSKD-RYUDHWBXSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)CC ZINC000020557644 582705087 /nfs/dbraw/zinc/70/50/87/582705087.db2.gz VVWBFNYGKQUSKD-VXGBXAGGSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@H](C)CC ZINC000020557646 582705143 /nfs/dbraw/zinc/70/51/43/582705143.db2.gz VVWBFNYGKQUSKD-NEPJUHHUSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020561139 166901454 /nfs/dbraw/zinc/90/14/54/166901454.db2.gz AZERNNROXQJDRB-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020561142 343074202 /nfs/dbraw/zinc/07/42/02/343074202.db2.gz AZERNNROXQJDRB-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000020561144 343074343 /nfs/dbraw/zinc/07/43/43/343074343.db2.gz AZERNNROXQJDRB-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000020561147 166903467 /nfs/dbraw/zinc/90/34/67/166903467.db2.gz AZERNNROXQJDRB-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@@H](C)[NH2+]C1CCCCCC1 ZINC000020565260 582705081 /nfs/dbraw/zinc/70/50/81/582705081.db2.gz LNELTDQSPHCINC-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)C[C@H](C)[NH2+]C1CCCCCC1 ZINC000020565262 582704865 /nfs/dbraw/zinc/70/48/65/582704865.db2.gz LNELTDQSPHCINC-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000020565309 582704902 /nfs/dbraw/zinc/70/49/02/582704902.db2.gz CZAGLXLDZUPQJL-GFCCVEGCSA-N 1 0 195.350 3.655 20 0 AHADRO CCC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000020565311 582704413 /nfs/dbraw/zinc/70/44/13/582704413.db2.gz CZAGLXLDZUPQJL-LBPRGKRZSA-N 1 0 195.350 3.655 20 0 AHADRO CCCCCC[NH2+][C@@H](C)CC(C)C ZINC000021012581 583384121 /nfs/dbraw/zinc/38/41/21/583384121.db2.gz OMJWGWMVEIIWIZ-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[NH2+][C@H](C)CC(C)C ZINC000021012582 583383644 /nfs/dbraw/zinc/38/36/44/583383644.db2.gz OMJWGWMVEIIWIZ-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000021012996 171040198 /nfs/dbraw/zinc/04/01/98/171040198.db2.gz AYMRTJGPCFVUGH-CHWSQXEVSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000021012997 171040338 /nfs/dbraw/zinc/04/03/38/171040338.db2.gz AYMRTJGPCFVUGH-OLZOCXBDSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000021012998 171040547 /nfs/dbraw/zinc/04/05/47/171040547.db2.gz AYMRTJGPCFVUGH-QWHCGFSZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000021012999 171040239 /nfs/dbraw/zinc/04/02/39/171040239.db2.gz AYMRTJGPCFVUGH-STQMWFEESA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000021021768 343075201 /nfs/dbraw/zinc/07/52/01/343075201.db2.gz SVQHRPQCIKNYIS-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000021021787 343075222 /nfs/dbraw/zinc/07/52/22/343075222.db2.gz SVQHRPQCIKNYIS-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H](C)[C@@H](C)CC ZINC000021044614 171040056 /nfs/dbraw/zinc/04/00/56/171040056.db2.gz AJYVDTGZOZMPHA-RYUDHWBXSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[NH2+][C@H](C)[C@@H](C)CC ZINC000021044620 171040747 /nfs/dbraw/zinc/04/07/47/171040747.db2.gz AJYVDTGZOZMPHA-NWDGAFQWSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H](C)[C@H](C)CC ZINC000021044626 171040549 /nfs/dbraw/zinc/04/05/49/171040549.db2.gz AJYVDTGZOZMPHA-NEPJUHHUSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[NH2+][C@H](C)[C@H](C)CC ZINC000021044632 171040524 /nfs/dbraw/zinc/04/05/24/171040524.db2.gz AJYVDTGZOZMPHA-VXGBXAGGSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@@H](CC)C[NH2+][C@@H](C)C1CC1 ZINC000021047671 582705074 /nfs/dbraw/zinc/70/50/74/582705074.db2.gz OBJDTZAYTVCZPF-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@@H](C)C1CC1 ZINC000021047677 582704613 /nfs/dbraw/zinc/70/46/13/582704613.db2.gz OBJDTZAYTVCZPF-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CC)C[NH2+][C@H](C)C1CC1 ZINC000021047683 582705119 /nfs/dbraw/zinc/70/51/19/582705119.db2.gz OBJDTZAYTVCZPF-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@H](C)C1CC1 ZINC000021047689 582705200 /nfs/dbraw/zinc/70/52/00/582705200.db2.gz OBJDTZAYTVCZPF-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+]C[C@H]1CC=CCC1 ZINC000021503614 583385895 /nfs/dbraw/zinc/38/58/95/583385895.db2.gz MUCDMPIDMBNEAV-ZDUSSCGKSA-N 1 0 195.350 3.513 20 0 AHADRO CCCCCC[NH2+]C[C@@H]1CC=CCC1 ZINC000021503616 583386122 /nfs/dbraw/zinc/38/61/22/583386122.db2.gz MUCDMPIDMBNEAV-CYBMUJFWSA-N 1 0 195.350 3.513 20 0 AHADRO CCCCCC[NH2+]C1CCCCCC1 ZINC000021506502 351407931 /nfs/dbraw/zinc/40/79/31/351407931.db2.gz HLLJXDWRUNUUSP-UHFFFAOYSA-N 1 0 197.366 3.879 20 0 AHADRO CCC(CC)C[NH2+]C1CCCCCC1 ZINC000021508225 343075549 /nfs/dbraw/zinc/07/55/49/343075549.db2.gz RXGPJLIHNUXTJK-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[NH2+][C@@H](C)CCCC(C)C ZINC000021513943 343075760 /nfs/dbraw/zinc/07/57/60/343075760.db2.gz NHYZSINLFLDULL-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@H](C)CCCC(C)C ZINC000021513945 343075516 /nfs/dbraw/zinc/07/55/16/343075516.db2.gz NHYZSINLFLDULL-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000021516170 582705215 /nfs/dbraw/zinc/70/52/15/582705215.db2.gz WCICRFLPOJEBNF-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000021516171 582704676 /nfs/dbraw/zinc/70/46/76/582704676.db2.gz WCICRFLPOJEBNF-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000021516172 582705160 /nfs/dbraw/zinc/70/51/60/582705160.db2.gz WCICRFLPOJEBNF-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000021516173 582704926 /nfs/dbraw/zinc/70/49/26/582704926.db2.gz WCICRFLPOJEBNF-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000021516362 582705056 /nfs/dbraw/zinc/70/50/56/582705056.db2.gz WHVMIBOJFVCZOT-QZQSVVMZSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000021516363 582704895 /nfs/dbraw/zinc/70/48/95/582704895.db2.gz WHVMIBOJFVCZOT-CMOBGSAGSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000021516364 582704707 /nfs/dbraw/zinc/70/47/07/582704707.db2.gz WHVMIBOJFVCZOT-QBHFIFKDSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000021516365 582705079 /nfs/dbraw/zinc/70/50/79/582705079.db2.gz WHVMIBOJFVCZOT-ZFQMDJOTSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)CCCC(C)C ZINC000021810808 582705858 /nfs/dbraw/zinc/70/58/58/582705858.db2.gz CBFYBSGOPXXLFL-RYUDHWBXSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000021810810 582705735 /nfs/dbraw/zinc/70/57/35/582705735.db2.gz CBFYBSGOPXXLFL-VXGBXAGGSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)CCCC(C)C ZINC000021810812 582705796 /nfs/dbraw/zinc/70/57/96/582705796.db2.gz CBFYBSGOPXXLFL-NWDGAFQWSA-N 1 0 185.355 3.589 20 0 AHADRO CCC(CC)C[NH2+]C1CCC(C)CC1 ZINC000021815870 343075676 /nfs/dbraw/zinc/07/56/76/343075676.db2.gz USBXTFXUYWUMKX-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021819234 166790940 /nfs/dbraw/zinc/79/09/40/166790940.db2.gz DKGYPMPMQKTZDJ-WCQYABFASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000021819236 343075538 /nfs/dbraw/zinc/07/55/38/343075538.db2.gz DKGYPMPMQKTZDJ-AAEUAGOBSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000021819238 343075679 /nfs/dbraw/zinc/07/56/79/343075679.db2.gz DKGYPMPMQKTZDJ-DGCLKSJQSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@H]1CCCC[C@H]1C ZINC000021819240 343075697 /nfs/dbraw/zinc/07/56/97/343075697.db2.gz DKGYPMPMQKTZDJ-YPMHNXCESA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC000021819640 582705474 /nfs/dbraw/zinc/70/54/74/582705474.db2.gz RQTXLIDGUGOTPX-GFCCVEGCSA-N 1 0 195.350 3.513 20 0 AHADRO CC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC000021819642 582705417 /nfs/dbraw/zinc/70/54/17/582705417.db2.gz RQTXLIDGUGOTPX-LBPRGKRZSA-N 1 0 195.350 3.513 20 0 AHADRO CCCCC[NH+](CC)CCCCC ZINC000032164812 537787528 /nfs/dbraw/zinc/78/75/28/537787528.db2.gz PXAVTVNEDPAYJP-UHFFFAOYSA-N 1 0 185.355 3.689 20 0 AHADRO CCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000035257312 343130986 /nfs/dbraw/zinc/13/09/86/343130986.db2.gz BAPIBXULTWCVMS-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)CC[NH2+]C(C)(C)CC(C)(C)C ZINC000035257314 351449440 /nfs/dbraw/zinc/44/94/40/351449440.db2.gz KZBGVNBKUZIKBH-UHFFFAOYSA-N 1 0 199.382 3.837 20 0 AHADRO CCCCCC[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000035732833 572032328 /nfs/dbraw/zinc/03/23/28/572032328.db2.gz DQRUFHHEJQXQRF-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000035732834 572032673 /nfs/dbraw/zinc/03/26/73/572032673.db2.gz DQRUFHHEJQXQRF-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000035732835 572033870 /nfs/dbraw/zinc/03/38/70/572033870.db2.gz DQRUFHHEJQXQRF-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000035732836 572034060 /nfs/dbraw/zinc/03/40/60/572034060.db2.gz DQRUFHHEJQXQRF-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+]C[C@@H](C)CC ZINC000036792032 572070926 /nfs/dbraw/zinc/07/09/26/572070926.db2.gz OLPMPAMCOYLJHX-NWDGAFQWSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[C@H](C)[NH2+]C[C@@H](C)CC ZINC000036792033 572069321 /nfs/dbraw/zinc/06/93/21/572069321.db2.gz OLPMPAMCOYLJHX-RYUDHWBXSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+]C[C@H](C)CC ZINC000036792034 572071800 /nfs/dbraw/zinc/07/18/00/572071800.db2.gz OLPMPAMCOYLJHX-VXGBXAGGSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[C@H](C)[NH2+]C[C@H](C)CC ZINC000036792035 572070118 /nfs/dbraw/zinc/07/01/18/572070118.db2.gz OLPMPAMCOYLJHX-NEPJUHHUSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036792244 572068791 /nfs/dbraw/zinc/06/87/91/572068791.db2.gz KESMVDGKUXPPKO-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036792245 572070269 /nfs/dbraw/zinc/07/02/69/572070269.db2.gz KESMVDGKUXPPKO-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036792246 572071076 /nfs/dbraw/zinc/07/10/76/572071076.db2.gz KESMVDGKUXPPKO-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036792247 572070541 /nfs/dbraw/zinc/07/05/41/572070541.db2.gz KESMVDGKUXPPKO-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036984336 572076837 /nfs/dbraw/zinc/07/68/37/572076837.db2.gz RQHJUKPSFKRAAO-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000036984337 572079962 /nfs/dbraw/zinc/07/99/62/572079962.db2.gz RQHJUKPSFKRAAO-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036984338 572078045 /nfs/dbraw/zinc/07/80/45/572078045.db2.gz RQHJUKPSFKRAAO-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000036984339 572079065 /nfs/dbraw/zinc/07/90/65/572079065.db2.gz RQHJUKPSFKRAAO-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(C)C ZINC000037031954 537807018 /nfs/dbraw/zinc/80/70/18/537807018.db2.gz NABXKMCAVLNRBU-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(C)C ZINC000037031956 537808352 /nfs/dbraw/zinc/80/83/52/537808352.db2.gz NABXKMCAVLNRBU-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCCC[C@H]1CC ZINC000037032064 537805418 /nfs/dbraw/zinc/80/54/18/537805418.db2.gz JMUMYJUCVHCEII-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCCC[C@@H]1CC ZINC000037032065 537805875 /nfs/dbraw/zinc/80/58/75/537805875.db2.gz JMUMYJUCVHCEII-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCCC[C@H]1CC ZINC000037032066 537804762 /nfs/dbraw/zinc/80/47/62/537804762.db2.gz JMUMYJUCVHCEII-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000037032067 537804398 /nfs/dbraw/zinc/80/43/98/537804398.db2.gz JMUMYJUCVHCEII-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000037100583 343159782 /nfs/dbraw/zinc/15/97/82/343159782.db2.gz DGGURIUKRYZUDI-UHFFFAOYSA-N 1 0 199.382 3.981 20 0 AHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1CCC1 ZINC000037179656 537810474 /nfs/dbraw/zinc/81/04/74/537810474.db2.gz AOVUUVSDTWJSHA-DGCLKSJQSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1CCC1 ZINC000037179658 537812784 /nfs/dbraw/zinc/81/27/84/537812784.db2.gz AOVUUVSDTWJSHA-WCQYABFASA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1CCC1 ZINC000037179660 537810670 /nfs/dbraw/zinc/81/06/70/537810670.db2.gz AOVUUVSDTWJSHA-YPMHNXCESA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1CCC1 ZINC000037179662 537810043 /nfs/dbraw/zinc/81/00/43/537810043.db2.gz AOVUUVSDTWJSHA-AAEUAGOBSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000037189489 167034875 /nfs/dbraw/zinc/03/48/75/167034875.db2.gz PMOCZYFJDWETLY-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000037189490 167070218 /nfs/dbraw/zinc/07/02/18/167070218.db2.gz PMOCZYFJDWETLY-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000037189491 537812667 /nfs/dbraw/zinc/81/26/67/537812667.db2.gz PMOCZYFJDWETLY-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000037189492 167070504 /nfs/dbraw/zinc/07/05/04/167070504.db2.gz PMOCZYFJDWETLY-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000037211442 537810343 /nfs/dbraw/zinc/81/03/43/537810343.db2.gz KSOUCZOVXMALIJ-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000037211444 537810781 /nfs/dbraw/zinc/81/07/81/537810781.db2.gz KSOUCZOVXMALIJ-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+]C1CCCCCC1 ZINC000037218328 537811779 /nfs/dbraw/zinc/81/17/79/537811779.db2.gz QKQMEIAFRAKWLF-GFCCVEGCSA-N 1 0 197.366 3.878 20 0 AHADRO CCCC[C@H](C)[NH2+]C1CCCCCC1 ZINC000037218329 537812698 /nfs/dbraw/zinc/81/26/98/537812698.db2.gz QKQMEIAFRAKWLF-LBPRGKRZSA-N 1 0 197.366 3.878 20 0 AHADRO CC[C@H]([NH2+]C1CCCCCC1)C(C)C ZINC000037218330 537812422 /nfs/dbraw/zinc/81/24/22/537812422.db2.gz MKMIUZRSGIQQAQ-ZDUSSCGKSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H]([NH2+]C1CCCCCC1)C(C)C ZINC000037218331 537810457 /nfs/dbraw/zinc/81/04/57/537810457.db2.gz MKMIUZRSGIQQAQ-CYBMUJFWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[NH2+][C@@H](CC)C(C)C ZINC000037232586 572105918 /nfs/dbraw/zinc/10/59/18/572105918.db2.gz ADWKWKIWRQOAHF-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[NH2+][C@H](CC)C(C)C ZINC000037232587 572105858 /nfs/dbraw/zinc/10/58/58/572105858.db2.gz ADWKWKIWRQOAHF-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037252813 409325888 /nfs/dbraw/zinc/32/58/88/409325888.db2.gz HKTAGKZRIBLSQL-WCQYABFASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037252815 409325039 /nfs/dbraw/zinc/32/50/39/409325039.db2.gz HKTAGKZRIBLSQL-AAEUAGOBSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037252817 409324793 /nfs/dbraw/zinc/32/47/93/409324793.db2.gz HKTAGKZRIBLSQL-DGCLKSJQSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037252819 409326936 /nfs/dbraw/zinc/32/69/36/409326936.db2.gz HKTAGKZRIBLSQL-YPMHNXCESA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037253773 343164385 /nfs/dbraw/zinc/16/43/85/343164385.db2.gz HLMVEQJIOAQHIQ-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037254265 537809412 /nfs/dbraw/zinc/80/94/12/537809412.db2.gz BEHIAPYHPITUQM-AGIUHOORSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037254267 537809909 /nfs/dbraw/zinc/80/99/09/537809909.db2.gz BEHIAPYHPITUQM-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037254269 537810077 /nfs/dbraw/zinc/81/00/77/537810077.db2.gz BEHIAPYHPITUQM-FRRDWIJNSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037254271 537810683 /nfs/dbraw/zinc/81/06/83/537810683.db2.gz BEHIAPYHPITUQM-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037254574 537810744 /nfs/dbraw/zinc/81/07/44/537810744.db2.gz HBHCPKYQOSFWSG-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037254578 537810493 /nfs/dbraw/zinc/81/04/93/537810493.db2.gz HBHCPKYQOSFWSG-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(C)C ZINC000037254580 343164288 /nfs/dbraw/zinc/16/42/88/343164288.db2.gz FQKMOTMRHGNJFW-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(C)C ZINC000037254584 343164426 /nfs/dbraw/zinc/16/44/26/343164426.db2.gz FQKMOTMRHGNJFW-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037255602 537811544 /nfs/dbraw/zinc/81/15/44/537811544.db2.gz WWSMQONCLRVJFM-NEPJUHHUSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000037255604 537809300 /nfs/dbraw/zinc/80/93/00/537809300.db2.gz WWSMQONCLRVJFM-RYUDHWBXSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000037255606 537811057 /nfs/dbraw/zinc/81/10/57/537811057.db2.gz WWSMQONCLRVJFM-VXGBXAGGSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000037255608 537810696 /nfs/dbraw/zinc/81/06/96/537810696.db2.gz WWSMQONCLRVJFM-NWDGAFQWSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCCCC1 ZINC000037259325 343164734 /nfs/dbraw/zinc/16/47/34/343164734.db2.gz CSDZSQMEGINWRI-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1CCCCC1 ZINC000037259327 343164541 /nfs/dbraw/zinc/16/45/41/343164541.db2.gz CSDZSQMEGINWRI-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1CCCCC1 ZINC000037259328 343164850 /nfs/dbraw/zinc/16/48/50/343164850.db2.gz CSDZSQMEGINWRI-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+]CC1CCCCC1 ZINC000037259330 343164713 /nfs/dbraw/zinc/16/47/13/343164713.db2.gz CSDZSQMEGINWRI-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC000037259560 343164939 /nfs/dbraw/zinc/16/49/39/343164939.db2.gz UNIFBHMDFVAVAZ-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC000037259562 343164735 /nfs/dbraw/zinc/16/47/35/343164735.db2.gz UNIFBHMDFVAVAZ-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000037467803 537818377 /nfs/dbraw/zinc/81/83/77/537818377.db2.gz IVFOTZDTPCSYLP-NSHDSACASA-N 1 0 197.347 3.589 20 0 AHADRO CCC[NH2+][C@H](CCC)c1ccsc1 ZINC000037467805 537814559 /nfs/dbraw/zinc/81/45/59/537814559.db2.gz IVFOTZDTPCSYLP-LLVKDONJSA-N 1 0 197.347 3.589 20 0 AHADRO C[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000037488821 537821863 /nfs/dbraw/zinc/82/18/63/537821863.db2.gz BNTKMMDPFZQRLZ-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000037488822 537820393 /nfs/dbraw/zinc/82/03/93/537820393.db2.gz BNTKMMDPFZQRLZ-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC000037488823 168418080 /nfs/dbraw/zinc/41/80/80/168418080.db2.gz BNTKMMDPFZQRLZ-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C ZINC000037488824 537820763 /nfs/dbraw/zinc/82/07/63/537820763.db2.gz BNTKMMDPFZQRLZ-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000037488837 537819956 /nfs/dbraw/zinc/81/99/56/537819956.db2.gz DFJNWGXGCLNKRO-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000037502494 409331736 /nfs/dbraw/zinc/33/17/36/409331736.db2.gz AMKZIFVTQWYHII-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000037502495 409331190 /nfs/dbraw/zinc/33/11/90/409331190.db2.gz AMKZIFVTQWYHII-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000037502496 409330426 /nfs/dbraw/zinc/33/04/26/409330426.db2.gz AMKZIFVTQWYHII-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000037502497 409331597 /nfs/dbraw/zinc/33/15/97/409331597.db2.gz AMKZIFVTQWYHII-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC1CCCC1 ZINC000037739561 537819876 /nfs/dbraw/zinc/81/98/76/537819876.db2.gz XMGFODSLWZEPFY-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+]CCC1CCCC1 ZINC000037739562 537819376 /nfs/dbraw/zinc/81/93/76/537819376.db2.gz XMGFODSLWZEPFY-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+]CCC1CCCC1 ZINC000037739563 537819603 /nfs/dbraw/zinc/81/96/03/537819603.db2.gz XMGFODSLWZEPFY-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+]CCC1CCCC1 ZINC000037739564 537819294 /nfs/dbraw/zinc/81/92/94/537819294.db2.gz XMGFODSLWZEPFY-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]([NH2+]CCC1CCCC1)C(C)C ZINC000037739737 537820670 /nfs/dbraw/zinc/82/06/70/537820670.db2.gz CNKXZKHPLWAIPA-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]([NH2+]CCC1CCCC1)C(C)C ZINC000037739738 537821398 /nfs/dbraw/zinc/82/13/98/537821398.db2.gz CNKXZKHPLWAIPA-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC000037739876 537820605 /nfs/dbraw/zinc/82/06/05/537820605.db2.gz MAOSFZWOUFDSJY-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[C@H](C)[NH2+]CCC1CCCCC1 ZINC000037739877 537820412 /nfs/dbraw/zinc/82/04/12/537820412.db2.gz MAOSFZWOUFDSJY-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CC[NH2+]CCC1CCCC1 ZINC000037741192 537819988 /nfs/dbraw/zinc/81/99/88/537819988.db2.gz CHJZEOBNIDVYFW-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC(C)(C)CC[NH2+]C1CCCCCC1 ZINC000037855310 166351670 /nfs/dbraw/zinc/35/16/70/166351670.db2.gz GVCHTAGUHGFINY-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)CCC[NH2+]C1CCCCCC1 ZINC000037862547 409336669 /nfs/dbraw/zinc/33/66/69/409336669.db2.gz HCFWSAJIFMYPMG-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)(C)[NH2+]CCCC1CCCCC1 ZINC000037927175 537825913 /nfs/dbraw/zinc/82/59/13/537825913.db2.gz MDJGPOQJDHQTQL-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@H]([NH2+]CC)C(C)(C)C ZINC000037948461 572247315 /nfs/dbraw/zinc/24/73/15/572247315.db2.gz XJHVDICCQYKMMN-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[C@@H]([NH2+]CC)C(C)(C)C ZINC000037948462 674063555 /nfs/dbraw/zinc/06/35/55/674063555.db2.gz XJHVDICCQYKMMN-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037985080 166439481 /nfs/dbraw/zinc/43/94/81/166439481.db2.gz YZTQKKWOUMJGSK-OLZOCXBDSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037985081 409339173 /nfs/dbraw/zinc/33/91/73/409339173.db2.gz YZTQKKWOUMJGSK-STQMWFEESA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037985082 409339009 /nfs/dbraw/zinc/33/90/09/409339009.db2.gz YZTQKKWOUMJGSK-CHWSQXEVSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037985083 166438969 /nfs/dbraw/zinc/43/89/69/166438969.db2.gz YZTQKKWOUMJGSK-QWHCGFSZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@H]1CCCC[C@H]1C ZINC000037985084 409338756 /nfs/dbraw/zinc/33/87/56/409338756.db2.gz BQGMAWKURZTDLL-OLZOCXBDSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000037985085 409339191 /nfs/dbraw/zinc/33/91/91/409339191.db2.gz BQGMAWKURZTDLL-STQMWFEESA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000037985086 166439625 /nfs/dbraw/zinc/43/96/25/166439625.db2.gz BQGMAWKURZTDLL-CHWSQXEVSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000037985087 409338805 /nfs/dbraw/zinc/33/88/05/409338805.db2.gz BQGMAWKURZTDLL-QWHCGFSZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+]C1CCC(C)CC1 ZINC000038093340 343184268 /nfs/dbraw/zinc/18/42/68/343184268.db2.gz BLKVOMILHZNCPE-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](C)[NH2+]CCCC(C)C ZINC000038093659 537831599 /nfs/dbraw/zinc/83/15/99/537831599.db2.gz FZGIMBUHKCSLEG-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](C)[NH2+]CCCC(C)C ZINC000038093660 537830982 /nfs/dbraw/zinc/83/09/82/537830982.db2.gz FZGIMBUHKCSLEG-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)[NH+](CCC1CCCC1)C(C)C ZINC000038281697 537829798 /nfs/dbraw/zinc/82/97/98/537829798.db2.gz CUAUJFMGMLUUQC-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CCCCCC[NH+](CCC)CCC ZINC000038880944 674079477 /nfs/dbraw/zinc/07/94/77/674079477.db2.gz KFXHGBDFXUDEBP-UHFFFAOYSA-N 1 0 185.355 3.689 20 0 AHADRO CC(C)(C)C[NH2+]C1CCCCCCC1 ZINC000040492323 166354082 /nfs/dbraw/zinc/35/40/82/166354082.db2.gz NGZNKNODDMNFGF-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC1CCC([NH2+]CC(C)(C)C)CC1 ZINC000040492327 343219375 /nfs/dbraw/zinc/21/93/75/343219375.db2.gz DRGUIVYCVBASKJ-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CC(C)(C)C ZINC000040492731 630021593 /nfs/dbraw/zinc/02/15/93/630021593.db2.gz BRNWUGJDQNWKNV-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[C@H](C)[NH2+]CC(C)(C)C ZINC000040492732 630022273 /nfs/dbraw/zinc/02/22/73/630022273.db2.gz BRNWUGJDQNWKNV-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO C[C@H]([NH2+]CC(C)(C)C)C1CCCCC1 ZINC000040492962 537834469 /nfs/dbraw/zinc/83/44/69/537834469.db2.gz WVZDGCWJQPMMRE-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]([NH2+]CC(C)(C)C)C1CCCCC1 ZINC000040492963 168379452 /nfs/dbraw/zinc/37/94/52/168379452.db2.gz WVZDGCWJQPMMRE-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)C[NH2+]CCC1=CCCCC1 ZINC000041051145 166353819 /nfs/dbraw/zinc/35/38/19/166353819.db2.gz WGDUNJQTRRFWOB-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CCCC[C@@H](CC)C[NH2+]CC(C)(C)C ZINC000041051154 343227682 /nfs/dbraw/zinc/22/76/82/343227682.db2.gz RESQBRSSGUOGSG-GFCCVEGCSA-N 1 0 199.382 3.839 20 0 AHADRO CCCC[C@H](CC)C[NH2+]CC(C)(C)C ZINC000041051155 166923853 /nfs/dbraw/zinc/92/38/53/166923853.db2.gz RESQBRSSGUOGSG-LBPRGKRZSA-N 1 0 199.382 3.839 20 0 AHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C ZINC000041051302 343227927 /nfs/dbraw/zinc/22/79/27/343227927.db2.gz VECRFTOCIGWAPO-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C ZINC000041051303 343228224 /nfs/dbraw/zinc/22/82/24/343228224.db2.gz VECRFTOCIGWAPO-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)C ZINC000041051304 343228029 /nfs/dbraw/zinc/22/80/29/343228029.db2.gz VECRFTOCIGWAPO-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)C ZINC000041051305 343227955 /nfs/dbraw/zinc/22/79/55/343227955.db2.gz VECRFTOCIGWAPO-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)C[NH2+]CCC1CCCCC1 ZINC000041051414 343228161 /nfs/dbraw/zinc/22/81/61/343228161.db2.gz XMMHZDHXPGERHL-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC(C)(C)CC[NH2+]C1(C)CCCCC1 ZINC000045045208 166352244 /nfs/dbraw/zinc/35/22/44/166352244.db2.gz GJWCWXGNAPWOTF-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000045629146 537857684 /nfs/dbraw/zinc/85/76/84/537857684.db2.gz ZTQGQQSADBTAOL-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CCCC[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000045629147 166923938 /nfs/dbraw/zinc/92/39/38/166923938.db2.gz ZTQGQQSADBTAOL-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CCCC[C@@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000045629148 166915083 /nfs/dbraw/zinc/91/50/83/166915083.db2.gz ZTQGQQSADBTAOL-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CCCC[C@H](C)[NH2+]C[C@@H]1CC=CCC1 ZINC000045629149 537856733 /nfs/dbraw/zinc/85/67/33/537856733.db2.gz ZTQGQQSADBTAOL-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(CC)[NH2+][C@@H](C)c1ccsc1 ZINC000050337416 486737665 /nfs/dbraw/zinc/73/76/65/486737665.db2.gz HXCKFOUEDWHTKN-VIFPVBQESA-N 1 0 197.347 3.587 20 0 AHADRO CCC(CC)[NH2+][C@H](C)c1ccsc1 ZINC000050337418 486738011 /nfs/dbraw/zinc/73/80/11/486738011.db2.gz HXCKFOUEDWHTKN-SECBINFHSA-N 1 0 197.347 3.587 20 0 AHADRO CCCCC[NH2+][C@@H](C)c1ccsc1 ZINC000050337488 166866635 /nfs/dbraw/zinc/86/66/35/166866635.db2.gz DQWLNLDOCUCYJZ-JTQLQIEISA-N 1 0 197.347 3.589 20 0 AHADRO CCCCC[NH2+][C@H](C)c1ccsc1 ZINC000050337490 486737784 /nfs/dbraw/zinc/73/77/84/486737784.db2.gz DQWLNLDOCUCYJZ-SNVBAGLBSA-N 1 0 197.347 3.589 20 0 AHADRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050337522 167035482 /nfs/dbraw/zinc/03/54/82/167035482.db2.gz HCWQGUHOFMJYFE-ZJUUUORDSA-N 1 0 197.347 3.587 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000050337523 167071226 /nfs/dbraw/zinc/07/12/26/167071226.db2.gz HCWQGUHOFMJYFE-UWVGGRQHSA-N 1 0 197.347 3.587 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000050337526 167036284 /nfs/dbraw/zinc/03/62/84/167036284.db2.gz HCWQGUHOFMJYFE-NXEZZACHSA-N 1 0 197.347 3.587 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000050337529 167070011 /nfs/dbraw/zinc/07/00/11/167070011.db2.gz HCWQGUHOFMJYFE-VHSXEESVSA-N 1 0 197.347 3.587 20 0 AHADRO CCC[C@@H](CC)[NH2+]C1CCC(C)CC1 ZINC000050399989 167042798 /nfs/dbraw/zinc/04/27/98/167042798.db2.gz MVRJHQWPCOOYHX-OTTFEQOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+]C1CCC(C)CC1 ZINC000050399992 167077284 /nfs/dbraw/zinc/07/72/84/167077284.db2.gz MVRJHQWPCOOYHX-CPCZMJQVSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+]C1CCCCCC1 ZINC000050399994 167041909 /nfs/dbraw/zinc/04/19/09/167041909.db2.gz RVBBIINTXAFYEF-GFCCVEGCSA-N 1 0 197.366 3.878 20 0 AHADRO CCC[C@H](CC)[NH2+]C1CCCCCC1 ZINC000050399996 167075351 /nfs/dbraw/zinc/07/53/51/167075351.db2.gz RVBBIINTXAFYEF-LBPRGKRZSA-N 1 0 197.366 3.878 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000050400036 167075486 /nfs/dbraw/zinc/07/54/86/167075486.db2.gz JOWVQZLCOBAEEV-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1C ZINC000050400041 167075154 /nfs/dbraw/zinc/07/51/54/167075154.db2.gz JOWVQZLCOBAEEV-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000050400045 486738379 /nfs/dbraw/zinc/73/83/79/486738379.db2.gz ONIQNRLJGIJCOR-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000050400049 486737889 /nfs/dbraw/zinc/73/78/89/486737889.db2.gz ONIQNRLJGIJCOR-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccco1 ZINC000050400579 167042476 /nfs/dbraw/zinc/04/24/76/167042476.db2.gz ZZWXXMMLGYEUIA-WDEREUQCSA-N 1 0 195.306 3.509 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccco1 ZINC000050400581 167076961 /nfs/dbraw/zinc/07/69/61/167076961.db2.gz ZZWXXMMLGYEUIA-QWRGUYRKSA-N 1 0 195.306 3.509 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccco1 ZINC000050400584 167040869 /nfs/dbraw/zinc/04/08/69/167040869.db2.gz ZZWXXMMLGYEUIA-GHMZBOCLSA-N 1 0 195.306 3.509 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccco1 ZINC000050400587 167076758 /nfs/dbraw/zinc/07/67/58/167076758.db2.gz ZZWXXMMLGYEUIA-MNOVXSKESA-N 1 0 195.306 3.509 20 0 AHADRO CCC[C@@H](CC)[NH2+]C[C@H]1CC=CCC1 ZINC000050401089 167042860 /nfs/dbraw/zinc/04/28/60/167042860.db2.gz OSLMJMDBULEWGL-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@H](CC)[NH2+]C[C@H]1CC=CCC1 ZINC000050401091 167075213 /nfs/dbraw/zinc/07/52/13/167075213.db2.gz OSLMJMDBULEWGL-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@@H](CC)[NH2+]C[C@@H]1CC=CCC1 ZINC000050401093 167041787 /nfs/dbraw/zinc/04/17/87/167041787.db2.gz OSLMJMDBULEWGL-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@H](CC)[NH2+]C[C@@H]1CC=CCC1 ZINC000050401095 167076575 /nfs/dbraw/zinc/07/65/75/167076575.db2.gz OSLMJMDBULEWGL-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@@H](CC)CCC ZINC000050402122 537862516 /nfs/dbraw/zinc/86/25/16/537862516.db2.gz JTDNJRGAJSMAHC-NEPJUHHUSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H](CC)CCC ZINC000050402124 537862524 /nfs/dbraw/zinc/86/25/24/537862524.db2.gz JTDNJRGAJSMAHC-RYUDHWBXSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@H](CC)CCC ZINC000050402126 537862297 /nfs/dbraw/zinc/86/22/97/537862297.db2.gz JTDNJRGAJSMAHC-VXGBXAGGSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H](CC)CCC ZINC000050402128 166924018 /nfs/dbraw/zinc/92/40/18/166924018.db2.gz JTDNJRGAJSMAHC-NWDGAFQWSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+]CC(CC)CC ZINC000050886883 486739095 /nfs/dbraw/zinc/73/90/95/486739095.db2.gz FIGJZPGNNYNGKH-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](C)[NH2+]CC(CC)CC ZINC000050886884 486738879 /nfs/dbraw/zinc/73/88/79/486738879.db2.gz FIGJZPGNNYNGKH-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)CC(CC(C)C)[NH2+]C1CCC1 ZINC000052207523 486743094 /nfs/dbraw/zinc/74/30/94/486743094.db2.gz HHTHEBVAQWEPPA-UHFFFAOYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000052333044 351567872 /nfs/dbraw/zinc/56/78/72/351567872.db2.gz QDTHDOUBZKJNTF-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[NH2+][C@@H](C)C1CCCCC1 ZINC000052333046 343306133 /nfs/dbraw/zinc/30/61/33/343306133.db2.gz QDTHDOUBZKJNTF-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)C[NH2+][C@H](C)C1CCCCC1 ZINC000052333049 351568175 /nfs/dbraw/zinc/56/81/75/351568175.db2.gz QDTHDOUBZKJNTF-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[NH2+][C@H](C)C1CCCCC1 ZINC000052333052 343306282 /nfs/dbraw/zinc/30/62/82/343306282.db2.gz QDTHDOUBZKJNTF-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000052334908 486744889 /nfs/dbraw/zinc/74/48/89/486744889.db2.gz GAAXHBYYCSWLDC-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000052334911 486745358 /nfs/dbraw/zinc/74/53/58/486745358.db2.gz GAAXHBYYCSWLDC-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000052334914 486744988 /nfs/dbraw/zinc/74/49/88/486744988.db2.gz GAAXHBYYCSWLDC-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)CC)C1CCCCC1 ZINC000052334917 486745374 /nfs/dbraw/zinc/74/53/74/486745374.db2.gz GAAXHBYYCSWLDC-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H]([NH2+]CC(C)C)C1CCCCC1 ZINC000052335152 486745397 /nfs/dbraw/zinc/74/53/97/486745397.db2.gz BOUKFMAOQVUKMD-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]([NH2+]CC(C)C)C1CCCCC1 ZINC000052335155 486745384 /nfs/dbraw/zinc/74/53/84/486745384.db2.gz BOUKFMAOQVUKMD-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000052966047 486747132 /nfs/dbraw/zinc/74/71/32/486747132.db2.gz LIHUAPUZHYODCI-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000052966051 486747233 /nfs/dbraw/zinc/74/72/33/486747233.db2.gz LIHUAPUZHYODCI-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CCC)C[NH2+]C(C)C ZINC000052970022 486747051 /nfs/dbraw/zinc/74/70/51/486747051.db2.gz GOYGZPNMCJGAFV-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](CCC)C[NH2+]C(C)C ZINC000052970024 486747100 /nfs/dbraw/zinc/74/71/00/486747100.db2.gz GOYGZPNMCJGAFV-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@@H](CC)CC[NH2+]C(C)C ZINC000053302375 486748560 /nfs/dbraw/zinc/74/85/60/486748560.db2.gz VSSSIJLQGBKPQQ-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](CC)CC[NH2+]C(C)C ZINC000053302377 486748161 /nfs/dbraw/zinc/74/81/61/486748161.db2.gz VSSSIJLQGBKPQQ-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[NH2+][C@@H](CC)CC1CCCCC1 ZINC000053826670 571685768 /nfs/dbraw/zinc/68/57/68/571685768.db2.gz ZKMXMIRUMLJTDR-ZDUSSCGKSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[NH2+][C@H](CC)CC1CCCCC1 ZINC000053826672 571686883 /nfs/dbraw/zinc/68/68/83/571686883.db2.gz ZKMXMIRUMLJTDR-CYBMUJFWSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054078147 486754948 /nfs/dbraw/zinc/75/49/48/486754948.db2.gz RSUAZKWQSJDJPV-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054078149 486754303 /nfs/dbraw/zinc/75/43/03/486754303.db2.gz RSUAZKWQSJDJPV-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054078150 486754530 /nfs/dbraw/zinc/75/45/30/486754530.db2.gz RSUAZKWQSJDJPV-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000054078152 486754216 /nfs/dbraw/zinc/75/42/16/486754216.db2.gz RSUAZKWQSJDJPV-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[NH2+][C@@H](C)C1CCCC1 ZINC000054080935 486753909 /nfs/dbraw/zinc/75/39/09/486753909.db2.gz HKIALOQKEYCJSO-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@H](C)C1CCCC1 ZINC000054080937 486754144 /nfs/dbraw/zinc/75/41/44/486754144.db2.gz HKIALOQKEYCJSO-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054081125 486754856 /nfs/dbraw/zinc/75/48/56/486754856.db2.gz DBLFNOOMTFTRHO-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CCCC1 ZINC000054081128 486754117 /nfs/dbraw/zinc/75/41/17/486754117.db2.gz DBLFNOOMTFTRHO-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)C[NH2+]C1CCCCCC1 ZINC000054403075 486756977 /nfs/dbraw/zinc/75/69/77/486756977.db2.gz WTGHTQZLMXDEOA-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC(C)(C)C[NH2+]C(C)C ZINC000054638163 630046203 /nfs/dbraw/zinc/04/62/03/630046203.db2.gz CBNDRMBJJAGKFL-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)CC1(C[NH2+]C(C)C)CCCC1 ZINC000054655680 486759002 /nfs/dbraw/zinc/75/90/02/486759002.db2.gz RQFXTIGSQHQRSA-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H](CC)CCC ZINC000059378606 486761168 /nfs/dbraw/zinc/76/11/68/486761168.db2.gz FLLIIDROLAJCOT-TXEJJXNPSA-N 1 0 185.355 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H](CC)CCC ZINC000059378611 486761663 /nfs/dbraw/zinc/76/16/63/486761663.db2.gz FLLIIDROLAJCOT-RYUDHWBXSA-N 1 0 185.355 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H](CC)CCC ZINC000059378613 486761325 /nfs/dbraw/zinc/76/13/25/486761325.db2.gz FLLIIDROLAJCOT-VXGBXAGGSA-N 1 0 185.355 3.733 20 0 AHADRO CCCCC[N@H+](CCCC)C(C)C ZINC000059512051 409397799 /nfs/dbraw/zinc/39/77/99/409397799.db2.gz SOHWZFPRGYAUDU-UHFFFAOYSA-N 1 0 185.355 3.687 20 0 AHADRO CCCC[NH+](CCCC)CC(C)C ZINC000059817305 409398251 /nfs/dbraw/zinc/39/82/51/409398251.db2.gz BFSPREDKQIFECB-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCCCC[N@H+](C)CC1CCCCC1 ZINC000060032426 343350168 /nfs/dbraw/zinc/35/01/68/343350168.db2.gz JFBJXIRZUYTUKS-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCC[C@@H](CC)[NH2+]C1CCCCC1 ZINC000068985219 486772715 /nfs/dbraw/zinc/77/27/15/486772715.db2.gz QYKNWTJLCQXBHG-GFCCVEGCSA-N 1 0 197.366 3.878 20 0 AHADRO CCCC[C@H](CC)[NH2+]C1CCCCC1 ZINC000068985220 486772723 /nfs/dbraw/zinc/77/27/23/486772723.db2.gz QYKNWTJLCQXBHG-LBPRGKRZSA-N 1 0 197.366 3.878 20 0 AHADRO CCCC[C@@H](CC)[NH2+]CCC(C)C ZINC000068985409 486772704 /nfs/dbraw/zinc/77/27/04/486772704.db2.gz OKQWMSMILRYQNF-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](CC)[NH2+]CCC(C)C ZINC000068985412 486772956 /nfs/dbraw/zinc/77/29/56/486772956.db2.gz OKQWMSMILRYQNF-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1C ZINC000068987792 486772752 /nfs/dbraw/zinc/77/27/52/486772752.db2.gz KMLVUPUYKGBJIJ-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@H]1CCC[C@@H]1C ZINC000068987802 486772822 /nfs/dbraw/zinc/77/28/22/486772822.db2.gz KMLVUPUYKGBJIJ-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)(C)CC[NH2+]CC1(C)CCCC1 ZINC000069626706 486773689 /nfs/dbraw/zinc/77/36/89/486773689.db2.gz WQKXTQLOWMCBRO-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000069635811 351598387 /nfs/dbraw/zinc/59/83/87/351598387.db2.gz BGWOKZMFMXVTHE-ZJUUUORDSA-N 1 0 197.347 3.506 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)c1sccc1C ZINC000069635812 343429806 /nfs/dbraw/zinc/42/98/06/343429806.db2.gz BGWOKZMFMXVTHE-UWVGGRQHSA-N 1 0 197.347 3.506 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)c1sccc1C ZINC000069635813 351598062 /nfs/dbraw/zinc/59/80/62/351598062.db2.gz BGWOKZMFMXVTHE-NXEZZACHSA-N 1 0 197.347 3.506 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)c1sccc1C ZINC000069635816 343429787 /nfs/dbraw/zinc/42/97/87/343429787.db2.gz BGWOKZMFMXVTHE-VHSXEESVSA-N 1 0 197.347 3.506 20 0 AHADRO CCCC[NH2+][C@@H](C)c1sccc1C ZINC000069635849 343429629 /nfs/dbraw/zinc/42/96/29/343429629.db2.gz QTBVFGLGFYQVRA-JTQLQIEISA-N 1 0 197.347 3.507 20 0 AHADRO CCCC[NH2+][C@H](C)c1sccc1C ZINC000069635851 343430071 /nfs/dbraw/zinc/43/00/71/343430071.db2.gz QTBVFGLGFYQVRA-SNVBAGLBSA-N 1 0 197.347 3.507 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069663361 486774616 /nfs/dbraw/zinc/77/46/16/486774616.db2.gz XKWGOQGKWVYDAY-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069663364 486774912 /nfs/dbraw/zinc/77/49/12/486774912.db2.gz XKWGOQGKWVYDAY-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069663368 486774857 /nfs/dbraw/zinc/77/48/57/486774857.db2.gz XKWGOQGKWVYDAY-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069663372 486774805 /nfs/dbraw/zinc/77/48/05/486774805.db2.gz XKWGOQGKWVYDAY-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069663918 572128380 /nfs/dbraw/zinc/12/83/80/572128380.db2.gz QLMPSEUYJIFZJE-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000069663921 572130197 /nfs/dbraw/zinc/13/01/97/572130197.db2.gz QLMPSEUYJIFZJE-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069663923 572128291 /nfs/dbraw/zinc/12/82/91/572128291.db2.gz QLMPSEUYJIFZJE-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000069663926 572128730 /nfs/dbraw/zinc/12/87/30/572128730.db2.gz QLMPSEUYJIFZJE-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO C[C@H]([NH2+]CCC(C)(C)C)C1CCCC1 ZINC000069804359 486775812 /nfs/dbraw/zinc/77/58/12/486775812.db2.gz PCVDBMRFAZRHDX-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]([NH2+]CCC(C)(C)C)C1CCCC1 ZINC000069804362 486775661 /nfs/dbraw/zinc/77/56/61/486775661.db2.gz PCVDBMRFAZRHDX-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000070562161 343491463 /nfs/dbraw/zinc/49/14/63/343491463.db2.gz MLTKXLUCRFMIAU-QWHCGFSZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000070562162 343491467 /nfs/dbraw/zinc/49/14/67/343491467.db2.gz MLTKXLUCRFMIAU-STQMWFEESA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000070562163 343491256 /nfs/dbraw/zinc/49/12/56/343491256.db2.gz MLTKXLUCRFMIAU-CHWSQXEVSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000070562164 343491441 /nfs/dbraw/zinc/49/14/41/343491441.db2.gz MLTKXLUCRFMIAU-OLZOCXBDSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@@H]1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC000070562177 343491331 /nfs/dbraw/zinc/49/13/31/343491331.db2.gz QASKUGZGAYPZIH-OLZOCXBDSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC000070562178 343491437 /nfs/dbraw/zinc/49/14/37/343491437.db2.gz QASKUGZGAYPZIH-STQMWFEESA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC000070562179 343491404 /nfs/dbraw/zinc/49/14/04/343491404.db2.gz QASKUGZGAYPZIH-CHWSQXEVSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC000070562180 343491308 /nfs/dbraw/zinc/49/13/08/343491308.db2.gz QASKUGZGAYPZIH-QWHCGFSZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[NH2+]C1CCC(C)(C)CC1 ZINC000070653810 343519639 /nfs/dbraw/zinc/51/96/39/343519639.db2.gz HWPODJAQHNDZDP-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[C@@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000070653811 486791483 /nfs/dbraw/zinc/79/14/83/486791483.db2.gz NKFLDOAPVQGTRH-LLVKDONJSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+]C1CCC(C)(C)CC1 ZINC000070653812 486791514 /nfs/dbraw/zinc/79/15/14/486791514.db2.gz NKFLDOAPVQGTRH-NSHDSACASA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000070653816 351605606 /nfs/dbraw/zinc/60/56/06/351605606.db2.gz RDMVHYVMTRKTDQ-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)C[NH2+]C1CCC(C)(C)CC1 ZINC000070654148 486791710 /nfs/dbraw/zinc/79/17/10/486791710.db2.gz CQJZMOOYDRINCL-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682543 343524350 /nfs/dbraw/zinc/52/43/50/343524350.db2.gz CCPJMVVQECZYPT-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682545 343524185 /nfs/dbraw/zinc/52/41/85/343524185.db2.gz CCPJMVVQECZYPT-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682570 572555184 /nfs/dbraw/zinc/55/51/84/572555184.db2.gz CKNRYCULBHVELK-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682571 572555104 /nfs/dbraw/zinc/55/51/04/572555104.db2.gz CKNRYCULBHVELK-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682573 572553298 /nfs/dbraw/zinc/55/32/98/572553298.db2.gz CKNRYCULBHVELK-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682574 572554592 /nfs/dbraw/zinc/55/45/92/572554592.db2.gz CKNRYCULBHVELK-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)(C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683184 572554984 /nfs/dbraw/zinc/55/49/84/572554984.db2.gz ZXWRGHUFXBKNLO-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683186 572554060 /nfs/dbraw/zinc/55/40/60/572554060.db2.gz ZXWRGHUFXBKNLO-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000070748847 490016959 /nfs/dbraw/zinc/01/69/59/490016959.db2.gz GDGYQUKUPVDKNJ-AGIUHOORSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000070748850 490016965 /nfs/dbraw/zinc/01/69/65/490016965.db2.gz GDGYQUKUPVDKNJ-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000070748852 486792878 /nfs/dbraw/zinc/79/28/78/486792878.db2.gz GDGYQUKUPVDKNJ-FRRDWIJNSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070748854 486793042 /nfs/dbraw/zinc/79/30/42/486793042.db2.gz GDGYQUKUPVDKNJ-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCCC[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000070760109 571754312 /nfs/dbraw/zinc/75/43/12/571754312.db2.gz IUMCLEGODXPZIG-QWHCGFSZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@H]1CC[C@H](CC)C1 ZINC000070760111 571753016 /nfs/dbraw/zinc/75/30/16/571753016.db2.gz IUMCLEGODXPZIG-STQMWFEESA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000070760114 571752829 /nfs/dbraw/zinc/75/28/29/571752829.db2.gz IUMCLEGODXPZIG-CHWSQXEVSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000070760117 571751797 /nfs/dbraw/zinc/75/17/97/571751797.db2.gz IUMCLEGODXPZIG-OLZOCXBDSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000070760778 571754047 /nfs/dbraw/zinc/75/40/47/571754047.db2.gz NYTABAZHOLDYLA-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000070760780 571752975 /nfs/dbraw/zinc/75/29/75/571752975.db2.gz NYTABAZHOLDYLA-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000070760865 571753233 /nfs/dbraw/zinc/75/32/33/571753233.db2.gz SIILQUFFTKKPGM-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000070760867 571753330 /nfs/dbraw/zinc/75/33/30/571753330.db2.gz SIILQUFFTKKPGM-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@@H]1CCC[C@@H]1C ZINC000070825502 486793996 /nfs/dbraw/zinc/79/39/96/486793996.db2.gz CPNAUHOGGOUOEK-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H]1CCC[C@@H]1C ZINC000070825510 486793747 /nfs/dbraw/zinc/79/37/47/486793747.db2.gz CPNAUHOGGOUOEK-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@@H]1CCC[C@H]1C ZINC000070825512 486793183 /nfs/dbraw/zinc/79/31/83/486793183.db2.gz CPNAUHOGGOUOEK-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H]1CCC[C@H]1C ZINC000070825516 486793989 /nfs/dbraw/zinc/79/39/89/486793989.db2.gz CPNAUHOGGOUOEK-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000070826892 486794754 /nfs/dbraw/zinc/79/47/54/486794754.db2.gz JWAPOPGHSWWQGA-AGIUHOORSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000070826895 486794835 /nfs/dbraw/zinc/79/48/35/486794835.db2.gz JWAPOPGHSWWQGA-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000070826898 486794789 /nfs/dbraw/zinc/79/47/89/486794789.db2.gz JWAPOPGHSWWQGA-FRRDWIJNSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000070826901 486794631 /nfs/dbraw/zinc/79/46/31/486794631.db2.gz JWAPOPGHSWWQGA-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000070826977 571760474 /nfs/dbraw/zinc/76/04/74/571760474.db2.gz VENOZCPYIABOBQ-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000070826983 571760551 /nfs/dbraw/zinc/76/05/51/571760551.db2.gz VENOZCPYIABOBQ-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000078462875 490023994 /nfs/dbraw/zinc/02/39/94/490023994.db2.gz DUDQQWDLYGZCAL-GMXVVIOVSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000078462891 490024098 /nfs/dbraw/zinc/02/40/98/490024098.db2.gz DUDQQWDLYGZCAL-NTZNESFSSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000078464407 490024351 /nfs/dbraw/zinc/02/43/51/490024351.db2.gz LCWIDFGPFVZNFQ-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@@H](C)C[NH2+]C1CCCCCC1 ZINC000078476270 490024313 /nfs/dbraw/zinc/02/43/13/490024313.db2.gz NVWYHARILOOYLR-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[C@H](C)C[NH2+]C1CCCCCC1 ZINC000078476271 490024083 /nfs/dbraw/zinc/02/40/83/490024083.db2.gz NVWYHARILOOYLR-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+]C1CCC(C)(C)CC1 ZINC000079619698 343589949 /nfs/dbraw/zinc/58/99/49/343589949.db2.gz UXPYXOYHVHULNJ-UHFFFAOYSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)C[N@H+](C(C)C)C1CCCCC1 ZINC000080224370 343591241 /nfs/dbraw/zinc/59/12/41/343591241.db2.gz DZVSQFOOCRHGFC-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H]([NH2+]CC1(C)CCCC1)C(C)C ZINC000082619188 491022482 /nfs/dbraw/zinc/02/24/82/491022482.db2.gz ZYBDPWRCRMTPAO-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]([NH2+]CC1(C)CCCC1)C(C)C ZINC000082619189 491022481 /nfs/dbraw/zinc/02/24/81/491022481.db2.gz ZYBDPWRCRMTPAO-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625276 491022463 /nfs/dbraw/zinc/02/24/63/491022463.db2.gz QRQFPPDXEULYMU-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625277 491022450 /nfs/dbraw/zinc/02/24/50/491022450.db2.gz QRQFPPDXEULYMU-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625278 491022494 /nfs/dbraw/zinc/02/24/94/491022494.db2.gz QRQFPPDXEULYMU-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625279 491022391 /nfs/dbraw/zinc/02/23/91/491022391.db2.gz QRQFPPDXEULYMU-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625329 491022449 /nfs/dbraw/zinc/02/24/49/491022449.db2.gz MMLLZGGYTOJMEY-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000082625330 491022376 /nfs/dbraw/zinc/02/23/76/491022376.db2.gz MMLLZGGYTOJMEY-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CC)[NH2+]C(CC)CC ZINC000082687707 491022611 /nfs/dbraw/zinc/02/26/11/491022611.db2.gz LCXXFATWMUUIQW-GFCCVEGCSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+]C(CC)CC ZINC000082687708 491022639 /nfs/dbraw/zinc/02/26/39/491022639.db2.gz LCXXFATWMUUIQW-LBPRGKRZSA-N 1 0 185.355 3.733 20 0 AHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000082713596 572086141 /nfs/dbraw/zinc/08/61/41/572086141.db2.gz FQIAVRMGLFCARW-XQQFMLRXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000082713597 572086599 /nfs/dbraw/zinc/08/65/99/572086599.db2.gz FQIAVRMGLFCARW-AVGNSLFASA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000082713598 572084995 /nfs/dbraw/zinc/08/49/95/572084995.db2.gz FQIAVRMGLFCARW-YNEHKIRRSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000082713599 572085986 /nfs/dbraw/zinc/08/59/86/572085986.db2.gz FQIAVRMGLFCARW-RWMBFGLXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082829358 343613108 /nfs/dbraw/zinc/61/31/08/343613108.db2.gz KCGFMIUIERSZND-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082829359 166794732 /nfs/dbraw/zinc/79/47/32/166794732.db2.gz KCGFMIUIERSZND-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082835706 573227158 /nfs/dbraw/zinc/22/71/58/573227158.db2.gz FQZSEZOEMKCZHA-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082835710 573227523 /nfs/dbraw/zinc/22/75/23/573227523.db2.gz FQZSEZOEMKCZHA-IJLUTSLNSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082835758 491022741 /nfs/dbraw/zinc/02/27/41/491022741.db2.gz SXSSTKBGTLZETQ-DMDPSCGWSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082835763 491022713 /nfs/dbraw/zinc/02/27/13/491022713.db2.gz SXSSTKBGTLZETQ-NQBHXWOUSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082835800 572133810 /nfs/dbraw/zinc/13/38/10/572133810.db2.gz YWTZDZNMEQXIQP-YNEHKIRRSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082835804 572133916 /nfs/dbraw/zinc/13/39/16/572133916.db2.gz YWTZDZNMEQXIQP-JHJVBQTASA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082835810 491022745 /nfs/dbraw/zinc/02/27/45/491022745.db2.gz FUGWUZULILFGAZ-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1CC1 ZINC000083054455 491023332 /nfs/dbraw/zinc/02/33/32/491023332.db2.gz BBHOCEDCYBVPBG-AAEUAGOBSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1CC1 ZINC000083054456 491023300 /nfs/dbraw/zinc/02/33/00/491023300.db2.gz BBHOCEDCYBVPBG-WCQYABFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@H](C)CCC(C)C)C1CC1 ZINC000083054458 491023316 /nfs/dbraw/zinc/02/33/16/491023316.db2.gz BBHOCEDCYBVPBG-YPMHNXCESA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1CC1 ZINC000083054460 491023301 /nfs/dbraw/zinc/02/33/01/491023301.db2.gz BBHOCEDCYBVPBG-DGCLKSJQSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000083055008 572190121 /nfs/dbraw/zinc/19/01/21/572190121.db2.gz KKJJIHKGJPPHHK-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000083055012 572188571 /nfs/dbraw/zinc/18/85/71/572188571.db2.gz KKJJIHKGJPPHHK-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@H](CC)C1CC1 ZINC000083055016 572190423 /nfs/dbraw/zinc/19/04/23/572190423.db2.gz KKJJIHKGJPPHHK-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H](CC)C1CC1 ZINC000083055018 572188656 /nfs/dbraw/zinc/18/86/56/572188656.db2.gz KKJJIHKGJPPHHK-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)(CC)[NH2+]CCC(C)C ZINC000083387843 491024005 /nfs/dbraw/zinc/02/40/05/491024005.db2.gz PUYTYKRNVSKMLX-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC(CC)(CC)[NH2+]CC1CCCC1 ZINC000083387851 491024087 /nfs/dbraw/zinc/02/40/87/491024087.db2.gz JBAZWQOHNSZPDG-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(CC)(CC)[NH2+]CCC(C)(C)C ZINC000083387934 572207149 /nfs/dbraw/zinc/20/71/49/572207149.db2.gz GRNPWWABBGTZNB-UHFFFAOYSA-N 1 0 199.382 3.981 20 0 AHADRO CCCCC[NH2+]C(CC)(CC)CC ZINC000083387942 491024083 /nfs/dbraw/zinc/02/40/83/491024083.db2.gz ZFAOMSBYYMCYTQ-UHFFFAOYSA-N 1 0 185.355 3.735 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427044 491024379 /nfs/dbraw/zinc/02/43/79/491024379.db2.gz FDZVENAGRACAHA-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427045 491024372 /nfs/dbraw/zinc/02/43/72/491024372.db2.gz FDZVENAGRACAHA-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083427046 491024419 /nfs/dbraw/zinc/02/44/19/491024419.db2.gz FDZVENAGRACAHA-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083427047 491024385 /nfs/dbraw/zinc/02/43/85/491024385.db2.gz FDZVENAGRACAHA-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427073 491024457 /nfs/dbraw/zinc/02/44/57/491024457.db2.gz XQVIIOFNVVEZIN-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427075 491024418 /nfs/dbraw/zinc/02/44/18/491024418.db2.gz XQVIIOFNVVEZIN-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083427264 491024443 /nfs/dbraw/zinc/02/44/43/491024443.db2.gz WTQCUIDITSOJHV-AGIUHOORSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083427266 491024433 /nfs/dbraw/zinc/02/44/33/491024433.db2.gz WTQCUIDITSOJHV-FRRDWIJNSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435029 573499335 /nfs/dbraw/zinc/49/93/35/573499335.db2.gz RUTZDODICQKZJX-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435030 573498679 /nfs/dbraw/zinc/49/86/79/573498679.db2.gz RUTZDODICQKZJX-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435031 573498455 /nfs/dbraw/zinc/49/84/55/573498455.db2.gz RUTZDODICQKZJX-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435032 573500230 /nfs/dbraw/zinc/50/02/30/573500230.db2.gz RUTZDODICQKZJX-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H]1CCC[C@H]([NH2+]CC(C)C)CC1 ZINC000083435033 572222373 /nfs/dbraw/zinc/22/23/73/572222373.db2.gz IUOYTINESXZIIZ-OLZOCXBDSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@H]([NH2+]CC(C)C)CC1 ZINC000083435034 572220732 /nfs/dbraw/zinc/22/07/32/572220732.db2.gz IUOYTINESXZIIZ-STQMWFEESA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)C)CC1 ZINC000083435035 572220826 /nfs/dbraw/zinc/22/08/26/572220826.db2.gz IUOYTINESXZIIZ-CHWSQXEVSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@@H]([NH2+]CC(C)C)CC1 ZINC000083435036 572222348 /nfs/dbraw/zinc/22/23/48/572222348.db2.gz IUOYTINESXZIIZ-QWHCGFSZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000083438482 573510206 /nfs/dbraw/zinc/51/02/06/573510206.db2.gz JYHLPAMLPNJBAB-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000083438483 573509871 /nfs/dbraw/zinc/50/98/71/573509871.db2.gz JYHLPAMLPNJBAB-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000083438484 573510011 /nfs/dbraw/zinc/51/00/11/573510011.db2.gz JYHLPAMLPNJBAB-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000083438485 573512235 /nfs/dbraw/zinc/51/22/35/573512235.db2.gz JYHLPAMLPNJBAB-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+]CC1CCC1 ZINC000083838486 491025390 /nfs/dbraw/zinc/02/53/90/491025390.db2.gz ISBXSCJTNURLMZ-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+]CC1CCC1 ZINC000083838487 491025459 /nfs/dbraw/zinc/02/54/59/491025459.db2.gz ISBXSCJTNURLMZ-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CC(C)(C)[NH2+]CC1CCC1 ZINC000083838567 343625827 /nfs/dbraw/zinc/62/58/27/343625827.db2.gz NFTJMSCGSMGSKK-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)CC ZINC000083863592 491025447 /nfs/dbraw/zinc/02/54/47/491025447.db2.gz MQGSYEYASUQYIJ-SRVKXCTJSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)CC ZINC000083863594 491025398 /nfs/dbraw/zinc/02/53/98/491025398.db2.gz MQGSYEYASUQYIJ-SDDRHHMPSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000083863660 491025449 /nfs/dbraw/zinc/02/54/49/491025449.db2.gz UKBBJVXYCUKZMP-LOWVWBTDSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)C1CC1 ZINC000083863662 491025419 /nfs/dbraw/zinc/02/54/19/491025419.db2.gz UKBBJVXYCUKZMP-GVXVVHGQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000083863666 491025440 /nfs/dbraw/zinc/02/54/40/491025440.db2.gz ULAQBASECNMENX-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@H](C)C[C@H](C)CC ZINC000083863915 491025578 /nfs/dbraw/zinc/02/55/78/491025578.db2.gz RFIAXPCZSXLQKS-GHMZBOCLSA-N 1 0 185.355 3.589 20 0 AHADRO CCC(CC)[NH2+][C@H](C)C[C@@H](C)CC ZINC000083863916 491025524 /nfs/dbraw/zinc/02/55/24/491025524.db2.gz RFIAXPCZSXLQKS-WDEREUQCSA-N 1 0 185.355 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H](C)C[C@H](C)CC ZINC000083863917 491025480 /nfs/dbraw/zinc/02/54/80/491025480.db2.gz RFIAXPCZSXLQKS-MNOVXSKESA-N 1 0 185.355 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H](C)C[C@@H](C)CC ZINC000083863918 491025510 /nfs/dbraw/zinc/02/55/10/491025510.db2.gz RFIAXPCZSXLQKS-QWRGUYRKSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000083864284 491025568 /nfs/dbraw/zinc/02/55/68/491025568.db2.gz HNCGXJPIGMPGQN-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCCCC1 ZINC000083864309 491025543 /nfs/dbraw/zinc/02/55/43/491025543.db2.gz HVMSGOBLUTURBY-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+]C1CCCCC1 ZINC000083864310 491025474 /nfs/dbraw/zinc/02/54/74/491025474.db2.gz HVMSGOBLUTURBY-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)C[C@H](C)[NH2+]C1CCCCC1 ZINC000083864311 491025570 /nfs/dbraw/zinc/02/55/70/491025570.db2.gz HVMSGOBLUTURBY-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+]C1CCCCC1 ZINC000083864312 491025521 /nfs/dbraw/zinc/02/55/21/491025521.db2.gz HVMSGOBLUTURBY-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@@H](C)[NH2+]CCC1CC1 ZINC000083893803 572439223 /nfs/dbraw/zinc/43/92/23/572439223.db2.gz YESKWGZLBZULIL-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[C@H](C)[NH2+]CCC1CC1 ZINC000083893804 572440996 /nfs/dbraw/zinc/44/09/96/572440996.db2.gz YESKWGZLBZULIL-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCC1CC1 ZINC000083893894 491025581 /nfs/dbraw/zinc/02/55/81/491025581.db2.gz IBNYLXIWXUNTMP-DGCLKSJQSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CCC1CC1 ZINC000083893895 491025599 /nfs/dbraw/zinc/02/55/99/491025599.db2.gz IBNYLXIWXUNTMP-WCQYABFASA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CCC1CC1 ZINC000083893896 491025643 /nfs/dbraw/zinc/02/56/43/491025643.db2.gz IBNYLXIWXUNTMP-YPMHNXCESA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+]CCC1CC1 ZINC000083893897 491025681 /nfs/dbraw/zinc/02/56/81/491025681.db2.gz IBNYLXIWXUNTMP-AAEUAGOBSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+]CCC1CC1 ZINC000083926420 491025738 /nfs/dbraw/zinc/02/57/38/491025738.db2.gz DIKRGULNDCETAQ-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+]CCC1CC1 ZINC000083926421 491025776 /nfs/dbraw/zinc/02/57/76/491025776.db2.gz DIKRGULNDCETAQ-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CC(C)(C)[NH2+]CCC1CC1 ZINC000083926464 343627809 /nfs/dbraw/zinc/62/78/09/343627809.db2.gz KCWCSZDEQTYBLQ-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948379 491025801 /nfs/dbraw/zinc/02/58/01/491025801.db2.gz XLLALYXYEPFKAH-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948381 491025866 /nfs/dbraw/zinc/02/58/66/491025866.db2.gz XLLALYXYEPFKAH-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083948382 491025909 /nfs/dbraw/zinc/02/59/09/491025909.db2.gz XLLALYXYEPFKAH-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCCCC[C@H]1C ZINC000083948384 491025849 /nfs/dbraw/zinc/02/58/49/491025849.db2.gz XLLALYXYEPFKAH-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@H]1CCCCC[C@H]1C ZINC000083948741 491025872 /nfs/dbraw/zinc/02/58/72/491025872.db2.gz SMEUBBHFSMAGCL-AGIUHOORSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948742 491025831 /nfs/dbraw/zinc/02/58/31/491025831.db2.gz SMEUBBHFSMAGCL-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083948743 491025813 /nfs/dbraw/zinc/02/58/13/491025813.db2.gz SMEUBBHFSMAGCL-FRRDWIJNSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948744 491025868 /nfs/dbraw/zinc/02/58/68/491025868.db2.gz SMEUBBHFSMAGCL-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083948802 491025903 /nfs/dbraw/zinc/02/59/03/491025903.db2.gz DDYFXUFHJBDLEL-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083948804 491025907 /nfs/dbraw/zinc/02/59/07/491025907.db2.gz DDYFXUFHJBDLEL-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H]1CC=CCC1 ZINC000084066166 491025916 /nfs/dbraw/zinc/02/59/16/491025916.db2.gz RACASZZYCMHQFA-ZDUSSCGKSA-N 1 0 195.350 3.654 20 0 AHADRO CCCC(CCC)[NH2+][C@@H]1CC=CCC1 ZINC000084066167 491026064 /nfs/dbraw/zinc/02/60/64/491026064.db2.gz RACASZZYCMHQFA-CYBMUJFWSA-N 1 0 195.350 3.654 20 0 AHADRO CCCC[C@@H](CC)[NH2+][C@H]1CC=CCC1 ZINC000084066266 491026220 /nfs/dbraw/zinc/02/62/20/491026220.db2.gz XFRXHTOUJAJFME-OLZOCXBDSA-N 1 0 195.350 3.654 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@H]1CC=CCC1 ZINC000084066267 491026155 /nfs/dbraw/zinc/02/61/55/491026155.db2.gz XFRXHTOUJAJFME-STQMWFEESA-N 1 0 195.350 3.654 20 0 AHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CC=CCC1 ZINC000084066268 491026205 /nfs/dbraw/zinc/02/62/05/491026205.db2.gz XFRXHTOUJAJFME-CHWSQXEVSA-N 1 0 195.350 3.654 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@@H]1CC=CCC1 ZINC000084066269 491026121 /nfs/dbraw/zinc/02/61/21/491026121.db2.gz XFRXHTOUJAJFME-QWHCGFSZSA-N 1 0 195.350 3.654 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066412 491026122 /nfs/dbraw/zinc/02/61/22/491026122.db2.gz QIRRLTRGGQDLQM-OLZOCXBDSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066413 491026204 /nfs/dbraw/zinc/02/62/04/491026204.db2.gz QIRRLTRGGQDLQM-STQMWFEESA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066414 491026137 /nfs/dbraw/zinc/02/61/37/491026137.db2.gz QIRRLTRGGQDLQM-CHWSQXEVSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066415 491026100 /nfs/dbraw/zinc/02/61/00/491026100.db2.gz QIRRLTRGGQDLQM-QWHCGFSZSA-N 1 0 195.350 3.509 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066666 572493503 /nfs/dbraw/zinc/49/35/03/572493503.db2.gz QWZPMFGKYOJQBD-OLZOCXBDSA-N 1 0 195.350 3.654 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000084066669 572495880 /nfs/dbraw/zinc/49/58/80/572495880.db2.gz QWZPMFGKYOJQBD-STQMWFEESA-N 1 0 195.350 3.654 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066671 572494671 /nfs/dbraw/zinc/49/46/71/572494671.db2.gz QWZPMFGKYOJQBD-CHWSQXEVSA-N 1 0 195.350 3.654 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000084066672 572495058 /nfs/dbraw/zinc/49/50/58/572495058.db2.gz QWZPMFGKYOJQBD-QWHCGFSZSA-N 1 0 195.350 3.654 20 0 AHADRO CCC[NH2+]CC1CCC(CCC)CC1 ZINC000084326316 572533675 /nfs/dbraw/zinc/53/36/75/572533675.db2.gz WDSIQKPOVIFFQO-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO C[C@@H](C[NH2+]C(C)(C)C)C1CCCCC1 ZINC000084327298 486859185 /nfs/dbraw/zinc/85/91/85/486859185.db2.gz PGLCHVFFSQQONZ-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H](C[NH2+]C(C)(C)C)C1CCCCC1 ZINC000084327300 486859296 /nfs/dbraw/zinc/85/92/96/486859296.db2.gz PGLCHVFFSQQONZ-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]CC1CCCCCC1 ZINC000084328108 491026373 /nfs/dbraw/zinc/02/63/73/491026373.db2.gz BBYICLXEERUKGS-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(CC)[NH2+]CC1CCCCCC1 ZINC000084328109 486859273 /nfs/dbraw/zinc/85/92/73/486859273.db2.gz CYTBHWRMUYEXTQ-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC000084328433 491026383 /nfs/dbraw/zinc/02/63/83/491026383.db2.gz ZLCPRTFZNJTQOT-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[C@H](C)[NH2+]CC1CCCCCC1 ZINC000084328434 491026412 /nfs/dbraw/zinc/02/64/12/491026412.db2.gz ZLCPRTFZNJTQOT-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)[NH2+]CCC1CCCCCC1 ZINC000084329075 491026382 /nfs/dbraw/zinc/02/63/82/491026382.db2.gz KSXFNFPLHSQUDO-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(C)(C)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084340363 491026520 /nfs/dbraw/zinc/02/65/20/491026520.db2.gz HTXIMMRHNCBLNT-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084340364 491026519 /nfs/dbraw/zinc/02/65/19/491026519.db2.gz HTXIMMRHNCBLNT-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000084340366 491026495 /nfs/dbraw/zinc/02/64/95/491026495.db2.gz HTXIMMRHNCBLNT-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084340368 491026489 /nfs/dbraw/zinc/02/64/89/491026489.db2.gz HTXIMMRHNCBLNT-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)C[NH2+]C(CC)(CC)CC ZINC000084901661 491026712 /nfs/dbraw/zinc/02/67/12/491026712.db2.gz YOAGAKIVYXRHIJ-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CC[C@H](C)C[NH2+]C(CC)(CC)CC ZINC000084901664 491026746 /nfs/dbraw/zinc/02/67/46/491026746.db2.gz YOAGAKIVYXRHIJ-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000085661974 491028085 /nfs/dbraw/zinc/02/80/85/491028085.db2.gz CXHIMVVKJNQORL-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000085661975 491028125 /nfs/dbraw/zinc/02/81/25/491028125.db2.gz CXHIMVVKJNQORL-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000085661977 491028110 /nfs/dbraw/zinc/02/81/10/491028110.db2.gz CXHIMVVKJNQORL-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000085661980 491028115 /nfs/dbraw/zinc/02/81/15/491028115.db2.gz CXHIMVVKJNQORL-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]CCC1CCCCC1 ZINC000085734115 343647075 /nfs/dbraw/zinc/64/70/75/343647075.db2.gz SQJDCGGOVBJWRI-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[C@@H](CCCC)[NH2+]C ZINC000086315107 572915660 /nfs/dbraw/zinc/91/56/60/572915660.db2.gz ROXUAXOYRSVZHJ-GFCCVEGCSA-N 1 0 185.355 3.735 20 0 AHADRO CCCCCC[C@H](CCCC)[NH2+]C ZINC000086315108 572917100 /nfs/dbraw/zinc/91/71/00/572917100.db2.gz ROXUAXOYRSVZHJ-LBPRGKRZSA-N 1 0 185.355 3.735 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+]C(C)C ZINC000086315585 572916703 /nfs/dbraw/zinc/91/67/03/572916703.db2.gz JGXIICCDXKUJKL-LBPRGKRZSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+]C(C)C ZINC000086315586 572916734 /nfs/dbraw/zinc/91/67/34/572916734.db2.gz JGXIICCDXKUJKL-GFCCVEGCSA-N 1 0 185.355 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCCCC1(C)C ZINC000086842120 491029550 /nfs/dbraw/zinc/02/95/50/491029550.db2.gz MZQGJTMHXFDBHI-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CCCCC1(C)C ZINC000086842123 491029573 /nfs/dbraw/zinc/02/95/73/491029573.db2.gz MZQGJTMHXFDBHI-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000086842832 491029513 /nfs/dbraw/zinc/02/95/13/491029513.db2.gz DYNRMLCOYORTHL-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@@H]1CCCCC1(C)C ZINC000086842836 491029474 /nfs/dbraw/zinc/02/94/74/491029474.db2.gz DYNRMLCOYORTHL-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000086842839 491029574 /nfs/dbraw/zinc/02/95/74/491029574.db2.gz DYNRMLCOYORTHL-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@H]1CCCCC1(C)C ZINC000086842841 491029557 /nfs/dbraw/zinc/02/95/57/491029557.db2.gz DYNRMLCOYORTHL-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)(C)C[NH2+][C@H]1CCCCC1(C)C ZINC000086844278 491029493 /nfs/dbraw/zinc/02/94/93/491029493.db2.gz VDGGRYYSMLJVEG-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086844281 491029560 /nfs/dbraw/zinc/02/95/60/491029560.db2.gz VDGGRYYSMLJVEG-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H]1CCCC1(C)C ZINC000086855949 572985083 /nfs/dbraw/zinc/98/50/83/572985083.db2.gz CFDSWMIDTSMESI-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@H]1CCCC1(C)C ZINC000086855950 572986334 /nfs/dbraw/zinc/98/63/34/572986334.db2.gz CFDSWMIDTSMESI-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000086856229 491029683 /nfs/dbraw/zinc/02/96/83/491029683.db2.gz BTDKHENIMJYITP-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000086856230 491029614 /nfs/dbraw/zinc/02/96/14/491029614.db2.gz BTDKHENIMJYITP-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000086856231 491029645 /nfs/dbraw/zinc/02/96/45/491029645.db2.gz BTDKHENIMJYITP-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000086856232 491029650 /nfs/dbraw/zinc/02/96/50/491029650.db2.gz BTDKHENIMJYITP-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[NH2+][C@@H]1CCCC1(C)C ZINC000086856901 572985358 /nfs/dbraw/zinc/98/53/58/572985358.db2.gz HZSOOTIIKNDHGE-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@H]1CCCC1(C)C ZINC000086856902 572986403 /nfs/dbraw/zinc/98/64/03/572986403.db2.gz HZSOOTIIKNDHGE-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000086856970 491029619 /nfs/dbraw/zinc/02/96/19/491029619.db2.gz VMZUCDIKEAJQKK-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000086856972 491029611 /nfs/dbraw/zinc/02/96/11/491029611.db2.gz VMZUCDIKEAJQKK-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCCC1(C)C ZINC000086857243 491029642 /nfs/dbraw/zinc/02/96/42/491029642.db2.gz OVAARSHAKONOCL-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCC1(C)C ZINC000086857244 491029672 /nfs/dbraw/zinc/02/96/72/491029672.db2.gz OVAARSHAKONOCL-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H]1CCCC1(C)C ZINC000086857245 491029602 /nfs/dbraw/zinc/02/96/02/491029602.db2.gz OVAARSHAKONOCL-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CCCC1(C)C ZINC000086857246 491029641 /nfs/dbraw/zinc/02/96/41/491029641.db2.gz OVAARSHAKONOCL-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000086857259 491029652 /nfs/dbraw/zinc/02/96/52/491029652.db2.gz MTNRVWLUDKXFSQ-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000086857260 491029609 /nfs/dbraw/zinc/02/96/09/491029609.db2.gz MTNRVWLUDKXFSQ-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000086857261 491029649 /nfs/dbraw/zinc/02/96/49/491029649.db2.gz MTNRVWLUDKXFSQ-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000086857262 491029604 /nfs/dbraw/zinc/02/96/04/491029604.db2.gz MTNRVWLUDKXFSQ-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)(C)CC[NH2+][C@H]1CCCC1(C)C ZINC000086873251 491029694 /nfs/dbraw/zinc/02/96/94/491029694.db2.gz GDNWUSCHVFCJFR-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CC[NH2+][C@@H]1CCCC1(C)C ZINC000086873253 491029786 /nfs/dbraw/zinc/02/97/86/491029786.db2.gz GDNWUSCHVFCJFR-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000087146172 491029870 /nfs/dbraw/zinc/02/98/70/491029870.db2.gz CMTACZFEVZFDPK-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000087146174 491029839 /nfs/dbraw/zinc/02/98/39/491029839.db2.gz CMTACZFEVZFDPK-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000087146175 491029893 /nfs/dbraw/zinc/02/98/93/491029893.db2.gz CMTACZFEVZFDPK-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000087146177 491029913 /nfs/dbraw/zinc/02/99/13/491029913.db2.gz CMTACZFEVZFDPK-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCCC[NH2+][C@@H](C)c1ccoc1 ZINC000087289612 630862885 /nfs/dbraw/zinc/86/28/85/630862885.db2.gz BUPCJDSPRNFUBT-NSHDSACASA-N 1 0 195.306 3.511 20 0 AHADRO CCCCCC[NH2+][C@H](C)c1ccoc1 ZINC000087289613 630862859 /nfs/dbraw/zinc/86/28/59/630862859.db2.gz BUPCJDSPRNFUBT-LLVKDONJSA-N 1 0 195.306 3.511 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccoc1 ZINC000087290142 491030478 /nfs/dbraw/zinc/03/04/78/491030478.db2.gz YGPFCPOZVQZGGV-CMPLNLGQSA-N 1 0 195.306 3.509 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccoc1 ZINC000087290143 491030464 /nfs/dbraw/zinc/03/04/64/491030464.db2.gz YGPFCPOZVQZGGV-JQWIXIFHSA-N 1 0 195.306 3.509 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccoc1 ZINC000087290144 491030522 /nfs/dbraw/zinc/03/05/22/491030522.db2.gz YGPFCPOZVQZGGV-ZYHUDNBSSA-N 1 0 195.306 3.509 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H](C)c1ccoc1 ZINC000087290145 491030493 /nfs/dbraw/zinc/03/04/93/491030493.db2.gz YGPFCPOZVQZGGV-PWSUYJOCSA-N 1 0 195.306 3.509 20 0 AHADRO CCCCCC(C)(C)C[NH2+]CC1CC1 ZINC000087399074 572463318 /nfs/dbraw/zinc/46/33/18/572463318.db2.gz MTFVLJYAHYMQOI-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769949 491031776 /nfs/dbraw/zinc/03/17/76/491031776.db2.gz JZDIAYDYRUMKGJ-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769950 491031760 /nfs/dbraw/zinc/03/17/60/491031760.db2.gz JZDIAYDYRUMKGJ-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087769952 491031814 /nfs/dbraw/zinc/03/18/14/491031814.db2.gz JZDIAYDYRUMKGJ-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087769954 491031913 /nfs/dbraw/zinc/03/19/13/491031913.db2.gz JZDIAYDYRUMKGJ-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771330 491031848 /nfs/dbraw/zinc/03/18/48/491031848.db2.gz ZWHBJEKPZMLFHL-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771333 491031886 /nfs/dbraw/zinc/03/18/86/491031886.db2.gz ZWHBJEKPZMLFHL-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771615 491031865 /nfs/dbraw/zinc/03/18/65/491031865.db2.gz GPIHBUPCUZXVEG-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771617 491031940 /nfs/dbraw/zinc/03/19/40/491031940.db2.gz GPIHBUPCUZXVEG-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771619 491031927 /nfs/dbraw/zinc/03/19/27/491031927.db2.gz GPIHBUPCUZXVEG-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771621 491031852 /nfs/dbraw/zinc/03/18/52/491031852.db2.gz GPIHBUPCUZXVEG-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771623 491031879 /nfs/dbraw/zinc/03/18/79/491031879.db2.gz SLWHJZYZWCKPKR-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087771624 491031895 /nfs/dbraw/zinc/03/18/95/491031895.db2.gz SLWHJZYZWCKPKR-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771626 491031891 /nfs/dbraw/zinc/03/18/91/491031891.db2.gz SLWHJZYZWCKPKR-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000087771628 491031901 /nfs/dbraw/zinc/03/19/01/491031901.db2.gz SLWHJZYZWCKPKR-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088126577 491033261 /nfs/dbraw/zinc/03/32/61/491033261.db2.gz UAZDMVQIGHXQNS-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000088126581 491033251 /nfs/dbraw/zinc/03/32/51/491033251.db2.gz UAZDMVQIGHXQNS-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000088162930 491033320 /nfs/dbraw/zinc/03/33/20/491033320.db2.gz DBLFNOOMTFTRHO-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C1CCCC1 ZINC000088162932 491033291 /nfs/dbraw/zinc/03/32/91/491033291.db2.gz DBLFNOOMTFTRHO-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000088163083 491033224 /nfs/dbraw/zinc/03/32/24/491033224.db2.gz COLNMHYETUBANE-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000088163146 572971079 /nfs/dbraw/zinc/97/10/79/572971079.db2.gz XUWMGUJUGBWXMK-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000088163161 491033299 /nfs/dbraw/zinc/03/32/99/491033299.db2.gz IRRREXWEEUUQER-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000088163162 491033306 /nfs/dbraw/zinc/03/33/06/491033306.db2.gz IRRREXWEEUUQER-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)C[NH2+][C@H](C)C1CCCCCC1 ZINC000088163192 491033255 /nfs/dbraw/zinc/03/32/55/491033255.db2.gz COLNMHYETUBANE-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000088169054 491033242 /nfs/dbraw/zinc/03/32/42/491033242.db2.gz IRRREXWEEUUQER-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)C1CCCCCC1 ZINC000088169055 491033257 /nfs/dbraw/zinc/03/32/57/491033257.db2.gz IRRREXWEEUUQER-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[NH2+]CC1CCCCCCC1 ZINC000088294347 573117016 /nfs/dbraw/zinc/11/70/16/573117016.db2.gz NTLXCRBIUBJURD-UHFFFAOYSA-N 1 0 197.366 3.737 20 0 AHADRO C[C@@H](C[NH2+]C1CCCCC1)C(C)(C)C ZINC000097603037 343702484 /nfs/dbraw/zinc/70/24/84/343702484.db2.gz INBQFKNHOSSXCO-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H](C[NH2+]C1CCCCC1)C(C)(C)C ZINC000097603038 343702543 /nfs/dbraw/zinc/70/25/43/343702543.db2.gz INBQFKNHOSSXCO-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+]C1CCCCC1 ZINC000097603165 631166644 /nfs/dbraw/zinc/16/66/44/631166644.db2.gz AFQLOXFWYMMSCP-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)CCCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000097603166 631166470 /nfs/dbraw/zinc/16/64/70/631166470.db2.gz PDWBJUOITPVQMQ-OLZOCXBDSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000097603168 631166605 /nfs/dbraw/zinc/16/66/05/631166605.db2.gz PDWBJUOITPVQMQ-STQMWFEESA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000097603170 631166298 /nfs/dbraw/zinc/16/62/98/631166298.db2.gz PDWBJUOITPVQMQ-CHWSQXEVSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000097603171 631166556 /nfs/dbraw/zinc/16/65/56/631166556.db2.gz PDWBJUOITPVQMQ-QWHCGFSZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[N@H+](CC)CC1CCCCC1 ZINC000102852380 409448945 /nfs/dbraw/zinc/44/89/45/409448945.db2.gz RLBYPPKJTKMREQ-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H](C)[N@H+](CC)CC1CCCCC1 ZINC000102852382 409448935 /nfs/dbraw/zinc/44/89/35/409448935.db2.gz RLBYPPKJTKMREQ-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)[NH+](CC1CCCCC1)C(C)C ZINC000104154883 537952547 /nfs/dbraw/zinc/95/25/47/537952547.db2.gz LRPGWPGSWJYFTP-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO C[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)CC1 ZINC000106190623 537959483 /nfs/dbraw/zinc/95/94/83/537959483.db2.gz DFJNWGXGCLNKRO-HAQNSBGRSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[N@H+](CC)CCCC ZINC000112963692 574044770 /nfs/dbraw/zinc/04/47/70/574044770.db2.gz VBCHBQPSMZOZAV-UHFFFAOYSA-N 1 0 185.355 3.689 20 0 AHADRO CCCC[N@H+](C(C)C)C1CCCCC1 ZINC000112983562 343756646 /nfs/dbraw/zinc/75/66/46/343756646.db2.gz VNFGYZOKHLGFAV-UHFFFAOYSA-N 1 0 197.366 3.830 20 0 AHADRO CCCCCC[NH+](C(C)C)C(C)C ZINC000113511179 582692474 /nfs/dbraw/zinc/69/24/74/582692474.db2.gz OENLNEZGRPNQDR-UHFFFAOYSA-N 1 0 185.355 3.686 20 0 AHADRO CC(C)[NH+](CCC(C)(C)C)C(C)C ZINC000114690918 490027524 /nfs/dbraw/zinc/02/75/24/490027524.db2.gz YUPZTVYEZPBMDS-UHFFFAOYSA-N 1 0 185.355 3.541 20 0 AHADRO CCC[NH+](CCC)CCC(C)(C)C ZINC000114691013 490027500 /nfs/dbraw/zinc/02/75/00/490027500.db2.gz TWVWRBOZNKXELX-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[N@H+](CC)CCC(C)(C)C ZINC000114691789 490027457 /nfs/dbraw/zinc/02/74/57/490027457.db2.gz PICWNIWXJROVOT-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[N@H+](CC)CC(CC)CC ZINC000114732102 486925519 /nfs/dbraw/zinc/92/55/19/486925519.db2.gz BOWKOSBALBSTJC-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000122071739 486930192 /nfs/dbraw/zinc/93/01/92/486930192.db2.gz WYPSJVVEXYJEFR-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000122072096 486931130 /nfs/dbraw/zinc/93/11/30/486931130.db2.gz WYPSJVVEXYJEFR-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(C)(C)[NH2+]CC1CCCCC1 ZINC000122372366 343779311 /nfs/dbraw/zinc/77/93/11/343779311.db2.gz FNYMEQCKOCPQJS-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)(C)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000122604977 486934820 /nfs/dbraw/zinc/93/48/20/486934820.db2.gz BNQZQFYEDXJFNY-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122605184 486934571 /nfs/dbraw/zinc/93/45/71/486934571.db2.gz BNQZQFYEDXJFNY-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(CC)CCC1 ZINC000122711726 486935470 /nfs/dbraw/zinc/93/54/70/486935470.db2.gz NPUBEBANFRCZMM-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+]CC1(CC)CCC1 ZINC000122711968 486935889 /nfs/dbraw/zinc/93/58/89/486935889.db2.gz NPUBEBANFRCZMM-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+]CC1(CC)CCC1 ZINC000122712240 486935330 /nfs/dbraw/zinc/93/53/30/486935330.db2.gz NPUBEBANFRCZMM-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+]CC1(CC)CCC1 ZINC000122712452 486935568 /nfs/dbraw/zinc/93/55/68/486935568.db2.gz NPUBEBANFRCZMM-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1(C[NH2+][C@@H](C)CC(C)C)CCC1 ZINC000122718772 486936373 /nfs/dbraw/zinc/93/63/73/486936373.db2.gz DXPOQKUGDUYVFN-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1(C[NH2+][C@H](C)CC(C)C)CCC1 ZINC000122719008 486936997 /nfs/dbraw/zinc/93/69/97/486936997.db2.gz DXPOQKUGDUYVFN-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]([NH2+]CC1(CC)CCC1)C(C)C ZINC000122722808 486936838 /nfs/dbraw/zinc/93/68/38/486936838.db2.gz ZDGLSCWGCUVCSA-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]([NH2+]CC1(CC)CCC1)C(C)C ZINC000122723028 486936341 /nfs/dbraw/zinc/93/63/41/486936341.db2.gz ZDGLSCWGCUVCSA-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1(C[NH2+][C@@H](C)C(C)(C)C)CCC1 ZINC000122727334 486937024 /nfs/dbraw/zinc/93/70/24/486937024.db2.gz WTOQRDFQVYNZOD-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC1(C[NH2+][C@H](C)C(C)(C)C)CCC1 ZINC000122727553 486937037 /nfs/dbraw/zinc/93/70/37/486937037.db2.gz WTOQRDFQVYNZOD-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000122945106 486937540 /nfs/dbraw/zinc/93/75/40/486937540.db2.gz OOBGYLCGWVHRKV-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[NH2+]CC1(CC(C)C)CCC1 ZINC000122945310 486937390 /nfs/dbraw/zinc/93/73/90/486937390.db2.gz OOBGYLCGWVHRKV-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1(C[NH2+][C@@H](C)C(C)C)CCCC1 ZINC000123136466 486938729 /nfs/dbraw/zinc/93/87/29/486938729.db2.gz ZPRPQHKJGZULCC-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1(C[NH2+][C@H](C)C(C)C)CCCC1 ZINC000123136693 486938344 /nfs/dbraw/zinc/93/83/44/486938344.db2.gz ZPRPQHKJGZULCC-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC(C)(C)[NH2+]CCC(C)(C)C ZINC000123405726 343783666 /nfs/dbraw/zinc/78/36/66/343783666.db2.gz LTZROTJVRSGRLE-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC(C)(CC)[NH2+]C[C@H]1CC=CCC1 ZINC000125676242 490034470 /nfs/dbraw/zinc/03/44/70/490034470.db2.gz KFXJTBPYNCDTSE-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(C)(CC)[NH2+]C[C@@H]1CC=CCC1 ZINC000125676462 490034602 /nfs/dbraw/zinc/03/46/02/490034602.db2.gz KFXJTBPYNCDTSE-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CCCC(C)(C)[NH2+]CCCC(C)C ZINC000126137180 490035720 /nfs/dbraw/zinc/03/57/20/490035720.db2.gz OWMYEZIRSPVQMD-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC(CCC)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000128469153 583436305 /nfs/dbraw/zinc/43/63/05/583436305.db2.gz KBCBHXHGJXCUBH-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H]1CC[C@H](C)C1 ZINC000128469348 583436317 /nfs/dbraw/zinc/43/63/17/583436317.db2.gz KBCBHXHGJXCUBH-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000128469578 583437186 /nfs/dbraw/zinc/43/71/86/583437186.db2.gz KBCBHXHGJXCUBH-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000128469826 583437241 /nfs/dbraw/zinc/43/72/41/583437241.db2.gz KBCBHXHGJXCUBH-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000128473140 583436795 /nfs/dbraw/zinc/43/67/95/583436795.db2.gz VLJLPODRMIOQEG-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@H]1CC[C@H](C)C1 ZINC000128473575 583437168 /nfs/dbraw/zinc/43/71/68/583437168.db2.gz VLJLPODRMIOQEG-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)[NH2+]CC(C)(C)C1=CCCCC1 ZINC000128830947 490046546 /nfs/dbraw/zinc/04/65/46/490046546.db2.gz RHCAVXHELAJFPN-UHFFFAOYSA-N 1 0 195.350 3.511 20 0 AHADRO CCCC(CCC)[NH2+]CCCC1CC1 ZINC000129428012 490050736 /nfs/dbraw/zinc/05/07/36/490050736.db2.gz FJJBVIWWSRGDRO-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO C[C@H]([NH2+]CC1(C)CCCC1)C(C)(C)C ZINC000129493157 490052299 /nfs/dbraw/zinc/05/22/99/490052299.db2.gz QOZDPZHFLPOEOG-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]([NH2+]CC1(C)CCCC1)C(C)(C)C ZINC000129493356 490052570 /nfs/dbraw/zinc/05/25/70/490052570.db2.gz QOZDPZHFLPOEOG-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[NH2+]CC(C)(C)C1CCCCC1 ZINC000129715499 490053132 /nfs/dbraw/zinc/05/31/32/490053132.db2.gz DBPPZFNTRTWRQW-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC(C)C1 ZINC000130383566 491033795 /nfs/dbraw/zinc/03/37/95/491033795.db2.gz MIMVZCQYFUIVSI-POOIEITISA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CC(C)C1 ZINC000130383781 491033696 /nfs/dbraw/zinc/03/36/96/491033696.db2.gz MIMVZCQYFUIVSI-PYNQCMFNSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CC(C)C1 ZINC000130384003 491033663 /nfs/dbraw/zinc/03/36/63/491033663.db2.gz MIMVZCQYFUIVSI-KPFVRQRISA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CC(C)C1 ZINC000130384209 491033781 /nfs/dbraw/zinc/03/37/81/491033781.db2.gz MIMVZCQYFUIVSI-MVKMKZAISA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+]C1CC(C)C1 ZINC000130395107 491033726 /nfs/dbraw/zinc/03/37/26/491033726.db2.gz YAHJFMSDEAVGFE-CPCZMJQVSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+]C1CC(C)C1 ZINC000130395309 491033727 /nfs/dbraw/zinc/03/37/27/491033727.db2.gz YAHJFMSDEAVGFE-OTTFEQOBSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]C1CC(C)C1 ZINC000130396717 491033719 /nfs/dbraw/zinc/03/37/19/491033719.db2.gz GBSSJGNTLRHQHM-CPCZMJQVSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CC(C)C1 ZINC000130396953 491033746 /nfs/dbraw/zinc/03/37/46/491033746.db2.gz GBSSJGNTLRHQHM-OTTFEQOBSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000130526168 491034010 /nfs/dbraw/zinc/03/40/10/491034010.db2.gz BJXWORASDAPJAO-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CC[C@H](C)[NH2+]CC1(C)CCC1 ZINC000130526389 491034004 /nfs/dbraw/zinc/03/40/04/491034004.db2.gz BJXWORASDAPJAO-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@@H](C)C(C)C)CCC1 ZINC000130764663 491034313 /nfs/dbraw/zinc/03/43/13/491034313.db2.gz MTXGFIXZYCSCRK-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@H](C)C(C)C)CCC1 ZINC000130764893 491034277 /nfs/dbraw/zinc/03/42/77/491034277.db2.gz MTXGFIXZYCSCRK-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000130776619 491034293 /nfs/dbraw/zinc/03/42/93/491034293.db2.gz CQILFPSHMCMKIA-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000130776806 491034284 /nfs/dbraw/zinc/03/42/84/491034284.db2.gz CQILFPSHMCMKIA-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000131353463 491034788 /nfs/dbraw/zinc/03/47/88/491034788.db2.gz FHRBJFUBDOWOGU-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[NH2+]CC(C)(C)C1CCCC1 ZINC000131353660 491034712 /nfs/dbraw/zinc/03/47/12/491034712.db2.gz FHRBJFUBDOWOGU-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000131954458 573122874 /nfs/dbraw/zinc/12/28/74/573122874.db2.gz HCHGSBYLWTWBEM-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000131954652 573124094 /nfs/dbraw/zinc/12/40/94/573124094.db2.gz HCHGSBYLWTWBEM-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000131954864 573119746 /nfs/dbraw/zinc/11/97/46/573119746.db2.gz HCHGSBYLWTWBEM-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000131955038 573120488 /nfs/dbraw/zinc/12/04/88/573120488.db2.gz HCHGSBYLWTWBEM-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000131968465 491035616 /nfs/dbraw/zinc/03/56/16/491035616.db2.gz FWDJRMHNXCUXNJ-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000131968687 491035653 /nfs/dbraw/zinc/03/56/53/491035653.db2.gz FWDJRMHNXCUXNJ-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000131968890 491035595 /nfs/dbraw/zinc/03/55/95/491035595.db2.gz FWDJRMHNXCUXNJ-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000131969079 491035667 /nfs/dbraw/zinc/03/56/67/491035667.db2.gz FWDJRMHNXCUXNJ-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCCC[NH2+][C@@H](C)CC1CCC1 ZINC000131999827 573138793 /nfs/dbraw/zinc/13/87/93/573138793.db2.gz VQRIVWIQVPVYJJ-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[NH2+][C@H](C)CC1CCC1 ZINC000132000046 583467386 /nfs/dbraw/zinc/46/73/86/583467386.db2.gz VQRIVWIQVPVYJJ-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)CCC[NH2+][C@@H](C)CC1CCC1 ZINC000132292395 491036127 /nfs/dbraw/zinc/03/61/27/491036127.db2.gz KCLOXRKRMYMQIE-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@H](C)CC1CCC1 ZINC000132292582 491036147 /nfs/dbraw/zinc/03/61/47/491036147.db2.gz KCLOXRKRMYMQIE-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[NH2+]CCCCC(C)C ZINC000132323814 573295148 /nfs/dbraw/zinc/29/51/48/573295148.db2.gz RMRDBSKMOBWXQF-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@H](C)[NH2+]CCCCC(C)C ZINC000132324023 573294672 /nfs/dbraw/zinc/29/46/72/573294672.db2.gz RMRDBSKMOBWXQF-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)CCCC[NH2+][C@@H](C)C1(C)CC1 ZINC000132327597 573296656 /nfs/dbraw/zinc/29/66/56/573296656.db2.gz UTFCQGOCFNTTOA-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+][C@H](C)C1(C)CC1 ZINC000132327798 573294232 /nfs/dbraw/zinc/29/42/32/573294232.db2.gz UTFCQGOCFNTTOA-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+]CCCCC(C)C ZINC000132328037 573296040 /nfs/dbraw/zinc/29/60/40/573296040.db2.gz GEQBRVIWVOBQIS-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CC[C@H]([NH2+]CCCCC(C)C)C1CC1 ZINC000132328910 573291617 /nfs/dbraw/zinc/29/16/17/573291617.db2.gz XILUMUGZXJNSRY-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]([NH2+]CCCCC(C)C)C1CC1 ZINC000132329093 573295113 /nfs/dbraw/zinc/29/51/13/573295113.db2.gz XILUMUGZXJNSRY-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000132666539 491036654 /nfs/dbraw/zinc/03/66/54/491036654.db2.gz QUPXMIVPOFHUGS-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000132666960 491036636 /nfs/dbraw/zinc/03/66/36/491036636.db2.gz QUPXMIVPOFHUGS-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC1CCC([NH2+]C(C)C)CC1 ZINC000132718435 491036699 /nfs/dbraw/zinc/03/66/99/491036699.db2.gz VLTQMHRVBQYAAK-UHFFFAOYSA-N 1 0 197.366 3.733 20 0 AHADRO C[C@@H](CC1CCC1)[NH2+]CCC(C)(C)C ZINC000132719104 491036633 /nfs/dbraw/zinc/03/66/33/491036633.db2.gz PGBLUIAUEAZRNS-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H](CC1CCC1)[NH2+]CCC(C)(C)C ZINC000132719277 491036627 /nfs/dbraw/zinc/03/66/27/491036627.db2.gz PGBLUIAUEAZRNS-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000132728784 491036845 /nfs/dbraw/zinc/03/68/45/491036845.db2.gz XPLUNQIBDMILFU-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000132729027 491036766 /nfs/dbraw/zinc/03/67/66/491036766.db2.gz XPLUNQIBDMILFU-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)C ZINC000132729219 491036757 /nfs/dbraw/zinc/03/67/57/491036757.db2.gz XPLUNQIBDMILFU-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)C ZINC000132729423 491036802 /nfs/dbraw/zinc/03/68/02/491036802.db2.gz XPLUNQIBDMILFU-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]([NH2+][C@@H](C)CC1CCC1)C(C)C ZINC000132853242 491036977 /nfs/dbraw/zinc/03/69/77/491036977.db2.gz IVAPEEYFNXZMCT-AAEUAGOBSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)CC1CCC1)C(C)C ZINC000132853445 491037058 /nfs/dbraw/zinc/03/70/58/491037058.db2.gz IVAPEEYFNXZMCT-WCQYABFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@H](C)CC1CCC1)C(C)C ZINC000132853645 491037009 /nfs/dbraw/zinc/03/70/09/491037009.db2.gz IVAPEEYFNXZMCT-YPMHNXCESA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@H](C)CC1CCC1)C(C)C ZINC000132853862 491036987 /nfs/dbraw/zinc/03/69/87/491036987.db2.gz IVAPEEYFNXZMCT-DGCLKSJQSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H]([NH2+]CC1CCCCC1)C(C)(C)C ZINC000132875180 343906854 /nfs/dbraw/zinc/90/68/54/343906854.db2.gz QHTDFJPFTIRWBD-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]([NH2+]CC1CCCCC1)C(C)(C)C ZINC000132875409 343906702 /nfs/dbraw/zinc/90/67/02/343906702.db2.gz QHTDFJPFTIRWBD-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H](C)C(C)(C)C ZINC000132943017 573367606 /nfs/dbraw/zinc/36/76/06/573367606.db2.gz YQYLNPSJJVTXAU-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[NH2+][C@H](C)C(C)(C)C ZINC000132943209 573367076 /nfs/dbraw/zinc/36/70/76/573367076.db2.gz YQYLNPSJJVTXAU-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@@H](CC)[NH2+]C[C@@H](C)C1CC1 ZINC000132951848 491037181 /nfs/dbraw/zinc/03/71/81/491037181.db2.gz YQBMZEGXPQCNGF-DGCLKSJQSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)[NH2+]C[C@@H](C)C1CC1 ZINC000132952032 491037167 /nfs/dbraw/zinc/03/71/67/491037167.db2.gz YQBMZEGXPQCNGF-YPMHNXCESA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CC)[NH2+]C[C@H](C)C1CC1 ZINC000132952245 491037083 /nfs/dbraw/zinc/03/70/83/491037083.db2.gz YQBMZEGXPQCNGF-WCQYABFASA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)[NH2+]C[C@H](C)C1CC1 ZINC000132952462 491037161 /nfs/dbraw/zinc/03/71/61/491037161.db2.gz YQBMZEGXPQCNGF-AAEUAGOBSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@@H](C)CC1CCC1 ZINC000133369307 491037459 /nfs/dbraw/zinc/03/74/59/491037459.db2.gz YAUOLTPFHFXQNU-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@H](C)CC1CCC1 ZINC000133369526 491037564 /nfs/dbraw/zinc/03/75/64/491037564.db2.gz YAUOLTPFHFXQNU-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)C(C)(C)C ZINC000133554276 491037822 /nfs/dbraw/zinc/03/78/22/491037822.db2.gz BKCPKFHGMNXSLW-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CC1CCC1)[NH2+][C@@H](C)C(C)(C)C ZINC000133554456 491037817 /nfs/dbraw/zinc/03/78/17/491037817.db2.gz BKCPKFHGMNXSLW-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)C(C)(C)C ZINC000133554646 491037849 /nfs/dbraw/zinc/03/78/49/491037849.db2.gz BKCPKFHGMNXSLW-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CC1CCC1)[NH2+][C@H](C)C(C)(C)C ZINC000133554846 491037833 /nfs/dbraw/zinc/03/78/33/491037833.db2.gz BKCPKFHGMNXSLW-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000133906344 491038183 /nfs/dbraw/zinc/03/81/83/491038183.db2.gz WVGIMMNRSUXELS-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000133906537 491038223 /nfs/dbraw/zinc/03/82/23/491038223.db2.gz WVGIMMNRSUXELS-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000133906702 491038211 /nfs/dbraw/zinc/03/82/11/491038211.db2.gz WVGIMMNRSUXELS-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000133906964 491038240 /nfs/dbraw/zinc/03/82/40/491038240.db2.gz WVGIMMNRSUXELS-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]C1(C)CCC1 ZINC000134520326 491038975 /nfs/dbraw/zinc/03/89/75/491038975.db2.gz CAEQRNXQKKIRIN-LBPRGKRZSA-N 1 0 195.350 3.654 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]C1(C)CCC1 ZINC000134520349 491039002 /nfs/dbraw/zinc/03/90/02/491039002.db2.gz CAEQRNXQKKIRIN-GFCCVEGCSA-N 1 0 195.350 3.654 20 0 AHADRO CCC(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000134845263 491039535 /nfs/dbraw/zinc/03/95/35/491039535.db2.gz FEJRRKFRBYDCGE-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000134845285 491039537 /nfs/dbraw/zinc/03/95/37/491039537.db2.gz FEJRRKFRBYDCGE-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000134845307 491039527 /nfs/dbraw/zinc/03/95/27/491039527.db2.gz FEJRRKFRBYDCGE-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000134845325 491039462 /nfs/dbraw/zinc/03/94/62/491039462.db2.gz FEJRRKFRBYDCGE-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[C@@H](C)[NH2+]C(C)(C)C ZINC000138752974 583500067 /nfs/dbraw/zinc/50/00/67/583500067.db2.gz QBZYUJCMWDJXLM-LLVKDONJSA-N 1 0 185.355 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+]C(C)(C)C ZINC000138753097 583499996 /nfs/dbraw/zinc/49/99/96/583499996.db2.gz QBZYUJCMWDJXLM-NSHDSACASA-N 1 0 185.355 3.733 20 0 AHADRO CCC[NH+](CCC)CCC1CCCC1 ZINC000143737597 486949820 /nfs/dbraw/zinc/94/98/20/486949820.db2.gz OISJWNAUSSWZEW-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC[NH+](CC)CCCC1CCCCC1 ZINC000143750459 486949744 /nfs/dbraw/zinc/94/97/44/486949744.db2.gz LOHVIPGKDLIISP-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC(C)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000144690868 344029060 /nfs/dbraw/zinc/02/90/60/344029060.db2.gz PUYIFEGDTUVNPS-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000144691055 344028950 /nfs/dbraw/zinc/02/89/50/344028950.db2.gz PUYIFEGDTUVNPS-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCCC[N@H+](C)CCC(C)C ZINC000144994711 582541376 /nfs/dbraw/zinc/54/13/76/582541376.db2.gz OQOWFQIWOZGNDD-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCC[NH+](CCC)CCCC(C)C ZINC000146861233 486953301 /nfs/dbraw/zinc/95/33/01/486953301.db2.gz MHFKELUYYHGRNM-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC[N@H+](CCCC(C)(C)C)C(C)C ZINC000147006964 582504498 /nfs/dbraw/zinc/50/44/98/582504498.db2.gz CGRSMHLZYILFOO-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CC(C)CCCC[NH2+][C@@H](C)CC(C)C ZINC000147256522 673939487 /nfs/dbraw/zinc/93/94/87/673939487.db2.gz GZAAFOQKKPVKQV-ZDUSSCGKSA-N 1 0 199.382 3.837 20 0 AHADRO CC(C)CCCC[NH2+][C@H](C)CC(C)C ZINC000147256739 697653381 /nfs/dbraw/zinc/65/33/81/697653381.db2.gz GZAAFOQKKPVKQV-CYBMUJFWSA-N 1 0 199.382 3.837 20 0 AHADRO CCC(C)(C)CC[NH+]1CCCCCC1 ZINC000147945923 486958641 /nfs/dbraw/zinc/95/86/41/486958641.db2.gz APYAIUBQXOLWLV-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC[N@H+](CC1CCCC1)CC(C)(C)C ZINC000148624199 486959146 /nfs/dbraw/zinc/95/91/46/486959146.db2.gz YPDCMORHOCXUSZ-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[N@H+](CCCC(C)C)C(C)C ZINC000149177425 756995178 /nfs/dbraw/zinc/99/51/78/756995178.db2.gz YQIGVUOOWGDXHU-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO C[N@H+](CC1CCCCC1)CC(C)(C)C ZINC000149373066 344064870 /nfs/dbraw/zinc/06/48/70/344064870.db2.gz YJWSCPVDZLGFJP-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(C)(C)C ZINC000149400457 344065549 /nfs/dbraw/zinc/06/55/49/344065549.db2.gz YJYYWASPADLUPW-VXGBXAGGSA-N 1 0 197.366 3.686 20 0 AHADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(C)(C)C ZINC000149400641 344065634 /nfs/dbraw/zinc/06/56/34/344065634.db2.gz YJYYWASPADLUPW-TXEJJXNPSA-N 1 0 197.366 3.686 20 0 AHADRO C[C@H]1CCC[C@H](C)[NH+]1CCC(C)(C)C ZINC000149400887 344065279 /nfs/dbraw/zinc/06/52/79/344065279.db2.gz YJYYWASPADLUPW-RYUDHWBXSA-N 1 0 197.366 3.686 20 0 AHADRO CCCCCC[N@H+](CC)CC(C)C ZINC000149554757 697655257 /nfs/dbraw/zinc/65/52/57/697655257.db2.gz IGQJPNDGBJZMIG-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC(C)CC[NH+](CC(C)C)CC(C)C ZINC000149586763 538010898 /nfs/dbraw/zinc/01/08/98/538010898.db2.gz MSQJLLQGZWQNSU-UHFFFAOYSA-N 1 0 199.382 3.647 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000157304876 538022361 /nfs/dbraw/zinc/02/23/61/538022361.db2.gz RMAQAXUQTKTZQA-RVMXOQNASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000157305045 538024420 /nfs/dbraw/zinc/02/44/20/538024420.db2.gz RMAQAXUQTKTZQA-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000157305174 538022596 /nfs/dbraw/zinc/02/25/96/538022596.db2.gz RMAQAXUQTKTZQA-WUHRBBMRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000157305315 538023531 /nfs/dbraw/zinc/02/35/31/538023531.db2.gz RMAQAXUQTKTZQA-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC(C)C ZINC000157309064 538023471 /nfs/dbraw/zinc/02/34/71/538023471.db2.gz LAINEVNUBLAPGX-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC(C)C ZINC000157309374 538022405 /nfs/dbraw/zinc/02/24/05/538022405.db2.gz LAINEVNUBLAPGX-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC ZINC000157311063 538023230 /nfs/dbraw/zinc/02/32/30/538023230.db2.gz TXJBZAVFUGIPKQ-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC ZINC000157311357 538023902 /nfs/dbraw/zinc/02/39/02/538023902.db2.gz TXJBZAVFUGIPKQ-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC=CC1 ZINC000157345535 538022959 /nfs/dbraw/zinc/02/29/59/538022959.db2.gz AUBHWTQWHBRVKC-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CC=CC1 ZINC000157345685 538023775 /nfs/dbraw/zinc/02/37/75/538023775.db2.gz AUBHWTQWHBRVKC-NWDGAFQWSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CC=CC1 ZINC000157345847 538024643 /nfs/dbraw/zinc/02/46/43/538024643.db2.gz AUBHWTQWHBRVKC-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CC=CC1 ZINC000157346001 538024339 /nfs/dbraw/zinc/02/43/39/538024339.db2.gz AUBHWTQWHBRVKC-RYUDHWBXSA-N 1 0 195.350 3.509 20 0 AHADRO CCCCCC[C@@H](C)[NH2+]C1CC=CC1 ZINC000157354933 697657804 /nfs/dbraw/zinc/65/78/04/697657804.db2.gz LQTCAYJTLIWBNP-GFCCVEGCSA-N 1 0 195.350 3.654 20 0 AHADRO CCCCCC[C@H](C)[NH2+]C1CC=CC1 ZINC000157355083 697658090 /nfs/dbraw/zinc/65/80/90/697658090.db2.gz LQTCAYJTLIWBNP-LBPRGKRZSA-N 1 0 195.350 3.654 20 0 AHADRO CC(C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000158471768 582697036 /nfs/dbraw/zinc/69/70/36/582697036.db2.gz SGCPRRBYEJNKRJ-UHFFFAOYSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(C)(C)[NH2+]C[C@H]1CC=CCC1 ZINC000159264787 538030568 /nfs/dbraw/zinc/03/05/68/538030568.db2.gz DXUFEAFEEKQXCT-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CCCC(C)(C)[NH2+]C[C@@H]1CC=CCC1 ZINC000159264922 538028482 /nfs/dbraw/zinc/02/84/82/538028482.db2.gz DXUFEAFEEKQXCT-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H](C)CC1CCC1 ZINC000161569759 538063003 /nfs/dbraw/zinc/06/30/03/538063003.db2.gz WOEHHTCVRHGHCQ-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H](C)CC1CCC1 ZINC000161569910 538062550 /nfs/dbraw/zinc/06/25/50/538062550.db2.gz WOEHHTCVRHGHCQ-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H](C)CC1CCC1 ZINC000161570046 538062795 /nfs/dbraw/zinc/06/27/95/538062795.db2.gz WOEHHTCVRHGHCQ-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H](C)CC1CCC1 ZINC000161570171 538062401 /nfs/dbraw/zinc/06/24/01/538062401.db2.gz WOEHHTCVRHGHCQ-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CC)[NH2+]CCCC1CC1 ZINC000161709082 582702180 /nfs/dbraw/zinc/70/21/80/582702180.db2.gz FJXJSHOYWMFNQL-CYBMUJFWSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@H](CC)[NH2+]CCCC1CC1 ZINC000161709228 582702411 /nfs/dbraw/zinc/70/24/11/582702411.db2.gz FJXJSHOYWMFNQL-ZDUSSCGKSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+]CCCC1CC1 ZINC000161710726 582491421 /nfs/dbraw/zinc/49/14/21/582491421.db2.gz ASLQVCJWSMIRMB-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CC[C@H](C)[NH2+]CCCC1CC1 ZINC000161710843 582702292 /nfs/dbraw/zinc/70/22/92/582702292.db2.gz ASLQVCJWSMIRMB-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CCCC1CC1 ZINC000161716918 629896009 /nfs/dbraw/zinc/89/60/09/629896009.db2.gz JDQZCUNFCOIHCO-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@H](C)[NH2+]CCCC1CC1 ZINC000161717020 629896074 /nfs/dbraw/zinc/89/60/74/629896074.db2.gz JDQZCUNFCOIHCO-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000161768765 538066993 /nfs/dbraw/zinc/06/69/93/538066993.db2.gz VHLAXKJYWZSYFO-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000161769021 538065969 /nfs/dbraw/zinc/06/59/69/538065969.db2.gz VHLAXKJYWZSYFO-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC(C)C1 ZINC000161806707 538065876 /nfs/dbraw/zinc/06/58/76/538065876.db2.gz RJEYSUXVXIBNPO-CQLXCSJHSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C1CC(C)C1 ZINC000161806832 538064000 /nfs/dbraw/zinc/06/40/00/538064000.db2.gz RJEYSUXVXIBNPO-GMKTYKIGSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C1CC(C)C1 ZINC000161806926 538066360 /nfs/dbraw/zinc/06/63/60/538066360.db2.gz RJEYSUXVXIBNPO-IGJPJIBNSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+]C1CC(C)C1 ZINC000161807054 538066138 /nfs/dbraw/zinc/06/61/38/538066138.db2.gz RJEYSUXVXIBNPO-QCXCNERSSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(CCC)[NH2+]CCC1CCC1 ZINC000161857408 629897852 /nfs/dbraw/zinc/89/78/52/629897852.db2.gz AJLRYIZVHXZMRA-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@@H](CC)[NH2+]CCC1CCC1 ZINC000161863555 629897875 /nfs/dbraw/zinc/89/78/75/629897875.db2.gz FDDNPEVHFVARNC-CYBMUJFWSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@H](CC)[NH2+]CCC1CCC1 ZINC000161863657 630506514 /nfs/dbraw/zinc/50/65/14/630506514.db2.gz FDDNPEVHFVARNC-ZDUSSCGKSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+]CCC1CCC1 ZINC000161865111 630508021 /nfs/dbraw/zinc/50/80/21/630508021.db2.gz XNMHASHIPTXTOU-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CC[C@H](C)[NH2+]CCC1CCC1 ZINC000161865239 629897907 /nfs/dbraw/zinc/89/79/07/629897907.db2.gz XNMHASHIPTXTOU-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CCC1CCC1 ZINC000161870715 629896908 /nfs/dbraw/zinc/89/69/08/629896908.db2.gz PKBDOBUKRZADQK-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@H](C)[NH2+]CCC1CCC1 ZINC000161870845 629897192 /nfs/dbraw/zinc/89/71/92/629897192.db2.gz PKBDOBUKRZADQK-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000161913894 538064710 /nfs/dbraw/zinc/06/47/10/538064710.db2.gz KKTOGLFODZESSS-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)CC1CCC1 ZINC000161913991 538065104 /nfs/dbraw/zinc/06/51/04/538065104.db2.gz KKTOGLFODZESSS-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000161914112 538066723 /nfs/dbraw/zinc/06/67/23/538066723.db2.gz KKTOGLFODZESSS-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000161914236 538065431 /nfs/dbraw/zinc/06/54/31/538065431.db2.gz KKTOGLFODZESSS-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(CCC)[NH2+][C@@H](C)C1CCC1 ZINC000161979782 538064010 /nfs/dbraw/zinc/06/40/10/538064010.db2.gz BFBPKOQIGWTPIM-NSHDSACASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H](C)C1CCC1 ZINC000161979885 538066701 /nfs/dbraw/zinc/06/67/01/538066701.db2.gz BFBPKOQIGWTPIM-LLVKDONJSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)C[C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000162605197 630033082 /nfs/dbraw/zinc/03/30/82/630033082.db2.gz WLDSAXSQCNVUOD-VXGBXAGGSA-N 1 0 199.382 3.693 20 0 AHADRO CC(C)C[C@H](C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000162605321 630033043 /nfs/dbraw/zinc/03/30/43/630033043.db2.gz WLDSAXSQCNVUOD-NEPJUHHUSA-N 1 0 199.382 3.693 20 0 AHADRO CC(C)C[C@@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000162605459 630032706 /nfs/dbraw/zinc/03/27/06/630032706.db2.gz WLDSAXSQCNVUOD-NWDGAFQWSA-N 1 0 199.382 3.693 20 0 AHADRO CC(C)C[C@H](C)[NH2+]C[C@H](C)C(C)(C)C ZINC000162605589 630033133 /nfs/dbraw/zinc/03/31/33/630033133.db2.gz WLDSAXSQCNVUOD-RYUDHWBXSA-N 1 0 199.382 3.693 20 0 AHADRO CCCC(C)(C)[NH2+]CC(CC)CC ZINC000162610056 538074006 /nfs/dbraw/zinc/07/40/06/538074006.db2.gz MUTSJUFVVQPGEI-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@@H](C)C[NH2+]C(C)(C)CCC ZINC000162610366 538073120 /nfs/dbraw/zinc/07/31/20/538073120.db2.gz DOOTVGLVUQNZCE-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@H](C)C[NH2+]C(C)(C)CCC ZINC000162610504 538073712 /nfs/dbraw/zinc/07/37/12/538073712.db2.gz DOOTVGLVUQNZCE-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)(C)CCCC[NH2+]C1CCCC1 ZINC000163877595 630831353 /nfs/dbraw/zinc/83/13/53/630831353.db2.gz UZDUSRYCHLYWIY-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[N@@H+]1CCC[C@@H]1C(C)C ZINC000164213570 629961632 /nfs/dbraw/zinc/96/16/32/629961632.db2.gz OOGNEXGFHSOEKY-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCCC[N@@H+]1CCC[C@H]1C(C)C ZINC000164213682 629800610 /nfs/dbraw/zinc/80/06/10/629800610.db2.gz OOGNEXGFHSOEKY-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H](C)CC[NH2+]C1CCCCCC1 ZINC000164340921 757007178 /nfs/dbraw/zinc/00/71/78/757007178.db2.gz WAPGYUJWPHMHTA-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@H](C)CC[NH2+]C1CCCCCC1 ZINC000164341049 757005582 /nfs/dbraw/zinc/00/55/82/757005582.db2.gz WAPGYUJWPHMHTA-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[N@H+](CCC(C)C)[C@@H](C)CC ZINC000165195881 757011217 /nfs/dbraw/zinc/01/12/17/757011217.db2.gz SDPPHCQSZITWNB-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[N@H+](CCC(C)C)[C@H](C)CC ZINC000165196001 757008924 /nfs/dbraw/zinc/00/89/24/757008924.db2.gz SDPPHCQSZITWNB-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[NH+](CCC)[C@@H](C)CC(C)C ZINC000165198059 538150117 /nfs/dbraw/zinc/15/01/17/538150117.db2.gz KJSZSACEEQCYLK-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[NH+](CCC)[C@H](C)CC(C)C ZINC000165198180 538149722 /nfs/dbraw/zinc/14/97/22/538149722.db2.gz KJSZSACEEQCYLK-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@@H](C)CC(C)C ZINC000165205899 757011068 /nfs/dbraw/zinc/01/10/68/757011068.db2.gz IUHIEUXWTCFHMM-STQMWFEESA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@@H](C)CC(C)C ZINC000165205993 757011627 /nfs/dbraw/zinc/01/16/27/757011627.db2.gz IUHIEUXWTCFHMM-QWHCGFSZSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@H](C)CC(C)C ZINC000165206098 757013032 /nfs/dbraw/zinc/01/30/32/757013032.db2.gz IUHIEUXWTCFHMM-OLZOCXBDSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@H](C)CC(C)C ZINC000165206213 757011897 /nfs/dbraw/zinc/01/18/97/757011897.db2.gz IUHIEUXWTCFHMM-CHWSQXEVSA-N 1 0 199.382 3.835 20 0 AHADRO CCCC[NH+](CCCC)CCC(C)C ZINC000165228186 757012910 /nfs/dbraw/zinc/01/29/10/757012910.db2.gz ISKSBOLDFHAMEZ-UHFFFAOYSA-N 1 0 199.382 3.935 20 0 AHADRO CCC[C@@H](CC)[NH2+]CCCC(C)C ZINC000165230706 538151840 /nfs/dbraw/zinc/15/18/40/538151840.db2.gz RCQKITRVWLDJKX-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@H](CC)[NH2+]CCCC(C)C ZINC000165230822 538151110 /nfs/dbraw/zinc/15/11/10/538151110.db2.gz RCQKITRVWLDJKX-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000165303723 757010630 /nfs/dbraw/zinc/01/06/30/757010630.db2.gz SEPHOHBWQOJXPT-GFCCVEGCSA-N 1 0 199.382 3.694 20 0 AHADRO CC(C)CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000165303857 757013763 /nfs/dbraw/zinc/01/37/63/757013763.db2.gz SEPHOHBWQOJXPT-LBPRGKRZSA-N 1 0 199.382 3.694 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)C1CC1 ZINC000165340050 486991592 /nfs/dbraw/zinc/99/15/92/486991592.db2.gz FIDSFWYGFKZETD-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C1CC1 ZINC000165340174 486991353 /nfs/dbraw/zinc/99/13/53/486991353.db2.gz FIDSFWYGFKZETD-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1CC1 ZINC000165340300 486991384 /nfs/dbraw/zinc/99/13/84/486991384.db2.gz FIDSFWYGFKZETD-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C1CC1 ZINC000165340399 486991292 /nfs/dbraw/zinc/99/12/92/486991292.db2.gz FIDSFWYGFKZETD-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC(C)(C)C[NH2+]C1CCCC1 ZINC000165538159 697670606 /nfs/dbraw/zinc/67/06/06/697670606.db2.gz AGFBLHOSWDYBHN-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+]CC(C)(C)C)CCC1 ZINC000165941833 538158385 /nfs/dbraw/zinc/15/83/85/538158385.db2.gz AHLZSRUWTYXYBC-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CCC1(C[NH2+]CC(C)(C)C)CCCC1 ZINC000166002384 538158377 /nfs/dbraw/zinc/15/83/77/538158377.db2.gz IRASBUZDJAEVOR-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]C1CCCC1 ZINC000166226675 538157596 /nfs/dbraw/zinc/15/75/96/538157596.db2.gz XEJFONQTXLNIDK-LBPRGKRZSA-N 1 0 195.350 3.654 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]C1CCCC1 ZINC000166226788 538157077 /nfs/dbraw/zinc/15/70/77/538157077.db2.gz XEJFONQTXLNIDK-GFCCVEGCSA-N 1 0 195.350 3.654 20 0 AHADRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C(C)C ZINC000166290891 538161117 /nfs/dbraw/zinc/16/11/17/538161117.db2.gz VLPUTXCJLGQRCD-STQMWFEESA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C(C)C ZINC000166291000 538161260 /nfs/dbraw/zinc/16/12/60/538161260.db2.gz VLPUTXCJLGQRCD-OLZOCXBDSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C(C)C ZINC000166291129 538162269 /nfs/dbraw/zinc/16/22/69/538162269.db2.gz VLPUTXCJLGQRCD-QWHCGFSZSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]C(C)C ZINC000166291245 538161580 /nfs/dbraw/zinc/16/15/80/538161580.db2.gz VLPUTXCJLGQRCD-CHWSQXEVSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H]([NH2+]C(C)C)C1CCCCC1 ZINC000166297106 538161268 /nfs/dbraw/zinc/16/12/68/538161268.db2.gz WBZSXELYGBATFU-ZDUSSCGKSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H]([NH2+]C(C)C)C1CCCCC1 ZINC000166297232 538162669 /nfs/dbraw/zinc/16/26/69/538162669.db2.gz WBZSXELYGBATFU-CYBMUJFWSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CCC[NH+](C(C)C)C(C)C ZINC000166721215 538165149 /nfs/dbraw/zinc/16/51/49/538165149.db2.gz GEDVQEBWFYHEKA-UHFFFAOYSA-N 1 0 185.355 3.541 20 0 AHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC ZINC000167237819 538169223 /nfs/dbraw/zinc/16/92/23/538169223.db2.gz ZTFDFMHXVWSCGX-XQQFMLRXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC ZINC000167238023 538170954 /nfs/dbraw/zinc/17/09/54/538170954.db2.gz ZTFDFMHXVWSCGX-YNEHKIRRSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC ZINC000167245671 538170741 /nfs/dbraw/zinc/17/07/41/538170741.db2.gz BXJPISFNMXMVJM-XQQFMLRXSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC ZINC000167245861 538169202 /nfs/dbraw/zinc/16/92/02/538169202.db2.gz BXJPISFNMXMVJM-YNEHKIRRSA-N 1 0 197.366 3.733 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCCC1 ZINC000167890479 538174771 /nfs/dbraw/zinc/17/47/71/538174771.db2.gz VVLLGMKEBXCSQQ-NSHDSACASA-N 1 0 197.366 3.733 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CCCC1 ZINC000167890579 538174575 /nfs/dbraw/zinc/17/45/75/538174575.db2.gz VVLLGMKEBXCSQQ-LLVKDONJSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[NH+](CC=C(C)C)CCCC ZINC000196595438 538181662 /nfs/dbraw/zinc/18/16/62/538181662.db2.gz UZJBVZMMRWOWFV-UHFFFAOYSA-N 1 0 197.366 3.855 20 0 AHADRO CCCC[N@H+](CCC)C1CCCCC1 ZINC000196670285 629817969 /nfs/dbraw/zinc/81/79/69/629817969.db2.gz WFRMORMUQSCWKN-UHFFFAOYSA-N 1 0 197.366 3.831 20 0 AHADRO CCCCCC[N@H+](C)C1CCCCC1 ZINC000197112373 757024121 /nfs/dbraw/zinc/02/41/21/757024121.db2.gz SCHSQZSUSSJORW-UHFFFAOYSA-N 1 0 197.366 3.831 20 0 AHADRO CCC(CC)[NH+](CC(C)C)CC(C)C ZINC000197113455 630834877 /nfs/dbraw/zinc/83/48/77/630834877.db2.gz XOOORVSVGNZCMQ-UHFFFAOYSA-N 1 0 199.382 3.789 20 0 AHADRO CCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000199526619 674058737 /nfs/dbraw/zinc/05/87/37/674058737.db2.gz UYIKNVFGWJRXKY-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000200363046 375405990 /nfs/dbraw/zinc/40/59/90/375405990.db2.gz YQZYBWPQYMWJBE-CYBMUJFWSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@@H+]1CCC[C@H]1CC(C)C ZINC000200363077 375406064 /nfs/dbraw/zinc/40/60/64/375406064.db2.gz YQZYBWPQYMWJBE-ZDUSSCGKSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CCC(C)(C)C)CC1CC1 ZINC000200627429 582707283 /nfs/dbraw/zinc/70/72/83/582707283.db2.gz FHJVGIUOSZEMNS-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)(C)CCCC[NH2+]CC(C)(C)C ZINC000201533929 344365585 /nfs/dbraw/zinc/36/55/85/344365585.db2.gz GFXRQQHETJILAC-UHFFFAOYSA-N 1 0 199.382 3.839 20 0 AHADRO CC(C)(C)CC[NH2+]C(C)(C)C(C)(C)C ZINC000201744157 487017713 /nfs/dbraw/zinc/01/77/13/487017713.db2.gz XEHRCJXHMIPMHL-UHFFFAOYSA-N 1 0 199.382 3.837 20 0 AHADRO C[N@H+](CCC(C)(C)C)C1CCCCC1 ZINC000202420050 582706992 /nfs/dbraw/zinc/70/69/92/582706992.db2.gz OQXRLRBHRDPDPY-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC000202734059 487018679 /nfs/dbraw/zinc/01/86/79/487018679.db2.gz XBVHBVMBPDFKSL-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000202850664 487018689 /nfs/dbraw/zinc/01/86/89/487018689.db2.gz VEEVRECDNDHKQA-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)(C)CC[NH+]1CCC(C)(C)CC1 ZINC000203215247 351783050 /nfs/dbraw/zinc/78/30/50/351783050.db2.gz DOMZJWDFGGVJOI-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)[C@H](C)[N@H+](C)CC1CCCCC1 ZINC000208394712 375414389 /nfs/dbraw/zinc/41/43/89/375414389.db2.gz XBVHBVMBPDFKSL-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C(C)(C)C[NH2+]C1CCCCC1 ZINC000218980432 582484630 /nfs/dbraw/zinc/48/46/30/582484630.db2.gz SJXWGESQMINMFZ-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[N@H+](C)CC(C)(C)C ZINC000218988080 583495298 /nfs/dbraw/zinc/49/52/98/583495298.db2.gz NUACRRJPECPMIH-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC(C)=CC[NH2+]C1CCCCCCC1 ZINC000219156173 344420450 /nfs/dbraw/zinc/42/04/50/344420450.db2.gz GNEBXPHRFKFRFS-UHFFFAOYSA-N 1 0 195.350 3.655 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CC=C(C)C ZINC000219172192 583496189 /nfs/dbraw/zinc/49/61/89/583496189.db2.gz LKZHIQNQDURSNR-GFCCVEGCSA-N 1 0 183.339 3.511 20 0 AHADRO CCCCC[C@H](C)[NH2+]CC=C(C)C ZINC000219172268 583496203 /nfs/dbraw/zinc/49/62/03/583496203.db2.gz LKZHIQNQDURSNR-LBPRGKRZSA-N 1 0 183.339 3.511 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000219860281 490073253 /nfs/dbraw/zinc/07/32/53/490073253.db2.gz XSKVMSHPTMVTJM-MROQNXINSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220562833 490074817 /nfs/dbraw/zinc/07/48/17/490074817.db2.gz SXSSTKBGTLZETQ-NTZNESFSSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000220562976 490074752 /nfs/dbraw/zinc/07/47/52/490074752.db2.gz SXSSTKBGTLZETQ-GMXVVIOVSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220564623 490074768 /nfs/dbraw/zinc/07/47/68/490074768.db2.gz FUGWUZULILFGAZ-MROQNXINSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(CC)[NH2+]CCCC(C)C ZINC000220717697 490075939 /nfs/dbraw/zinc/07/59/39/490075939.db2.gz AZPUFUHSVZNVDH-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[NH+](CCC)[C@@H]1CCCC[C@@H]1C ZINC000220737073 487032122 /nfs/dbraw/zinc/03/21/22/487032122.db2.gz VRUIZZKARWNMRL-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@H]1CCCC[C@@H]1C ZINC000220737128 487032150 /nfs/dbraw/zinc/03/21/50/487032150.db2.gz VRUIZZKARWNMRL-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@@H]1CCCC[C@H]1C ZINC000220737194 487031922 /nfs/dbraw/zinc/03/19/22/487031922.db2.gz VRUIZZKARWNMRL-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@H]1CCCC[C@H]1C ZINC000220737248 487032088 /nfs/dbraw/zinc/03/20/88/487032088.db2.gz VRUIZZKARWNMRL-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCC1(C[NH2+]CCC(C)(C)C)CCC1 ZINC000220785701 490075980 /nfs/dbraw/zinc/07/59/80/490075980.db2.gz NDVCSAHAKVBBNZ-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CCCC1(C[NH2+]CCC(C)(C)C)CC1 ZINC000220795921 490075758 /nfs/dbraw/zinc/07/57/58/490075758.db2.gz SKYHFJBDRWGRCX-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC(C)(C)CC[NH2+]CCC1=CCCC1 ZINC000220821114 490075797 /nfs/dbraw/zinc/07/57/97/490075797.db2.gz YCJSYYNSRXEQLB-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CC(C)CCC[NH2+]CCC1=CCCC1 ZINC000220821216 490075768 /nfs/dbraw/zinc/07/57/68/490075768.db2.gz AARIRXKNPYMNES-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CCCC[C@@H](CCC)[NH2+]CC(C)C ZINC000221692425 491040548 /nfs/dbraw/zinc/04/05/48/491040548.db2.gz HTMBNTDUWNQOIU-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@H](CCC)[NH2+]CC(C)C ZINC000221692479 491040476 /nfs/dbraw/zinc/04/04/76/491040476.db2.gz HTMBNTDUWNQOIU-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)CC ZINC000221711620 491040517 /nfs/dbraw/zinc/04/05/17/491040517.db2.gz ATJFNPNWEXLKDV-NWDGAFQWSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)CC ZINC000221711667 491040533 /nfs/dbraw/zinc/04/05/33/491040533.db2.gz ATJFNPNWEXLKDV-RYUDHWBXSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)CC ZINC000221711715 491040552 /nfs/dbraw/zinc/04/05/52/491040552.db2.gz ATJFNPNWEXLKDV-VXGBXAGGSA-N 1 0 185.355 3.733 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@H](C)CC ZINC000221711772 491040576 /nfs/dbraw/zinc/04/05/76/491040576.db2.gz ATJFNPNWEXLKDV-NEPJUHHUSA-N 1 0 185.355 3.733 20 0 AHADRO CC(C)[C@@H](C)[NH2+]CCCC1CCCC1 ZINC000221860323 491040630 /nfs/dbraw/zinc/04/06/30/491040630.db2.gz OHSNKVBGXJMVLG-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[C@H](C)[NH2+]CCCC1CCCC1 ZINC000221860377 491040665 /nfs/dbraw/zinc/04/06/65/491040665.db2.gz OHSNKVBGXJMVLG-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C)CC1 ZINC000222193300 491040897 /nfs/dbraw/zinc/04/08/97/491040897.db2.gz KYMHKLKZASYNIU-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(C)CC1 ZINC000222193361 491040939 /nfs/dbraw/zinc/04/09/39/491040939.db2.gz KYMHKLKZASYNIU-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(C)CC1 ZINC000222193416 491040908 /nfs/dbraw/zinc/04/09/08/491040908.db2.gz KYMHKLKZASYNIU-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(C)CC1 ZINC000222193463 491040931 /nfs/dbraw/zinc/04/09/31/491040931.db2.gz KYMHKLKZASYNIU-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[C@@H](C)[NH2+]CC1(C)CC1 ZINC000222194434 583507647 /nfs/dbraw/zinc/50/76/47/583507647.db2.gz PMWGFBDVLZSPIY-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCCC[C@H](C)[NH2+]CC1(C)CC1 ZINC000222194485 583507201 /nfs/dbraw/zinc/50/72/01/583507201.db2.gz PMWGFBDVLZSPIY-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@@H](CC)[NH2+]CC1(CC)CC1 ZINC000222205064 491040898 /nfs/dbraw/zinc/04/08/98/491040898.db2.gz HTVWOCSLEODISG-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@H](CC)[NH2+]CC1(CC)CC1 ZINC000222205116 491040876 /nfs/dbraw/zinc/04/08/76/491040876.db2.gz HTVWOCSLEODISG-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCC1(C[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000222205998 491040936 /nfs/dbraw/zinc/04/09/36/491040936.db2.gz WELOBHZGRPGXET-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1(C[NH2+][C@H](C)CCC(C)C)CC1 ZINC000222206053 491040978 /nfs/dbraw/zinc/04/09/78/491040978.db2.gz WELOBHZGRPGXET-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CC1(CC)CC1 ZINC000222208358 583507155 /nfs/dbraw/zinc/50/71/55/583507155.db2.gz GYGXCMGTBVDHHE-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@H](C)[NH2+]CC1(CC)CC1 ZINC000222208406 583507321 /nfs/dbraw/zinc/50/73/21/583507321.db2.gz GYGXCMGTBVDHHE-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000222217110 583507145 /nfs/dbraw/zinc/50/71/45/583507145.db2.gz MELBHNLMFRZSHB-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@H](C)[NH2+]CC1(C)CCC1 ZINC000222217169 583507261 /nfs/dbraw/zinc/50/72/61/583507261.db2.gz MELBHNLMFRZSHB-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000222224113 491040991 /nfs/dbraw/zinc/04/09/91/491040991.db2.gz XPMOJPSCOIMATE-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[NH2+]CC1(C(C)C)CC1 ZINC000222224168 491040987 /nfs/dbraw/zinc/04/09/87/491040987.db2.gz XPMOJPSCOIMATE-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[C@@H](C)[NH2+]CC1(C)CCCCC1 ZINC000222269772 491040982 /nfs/dbraw/zinc/04/09/82/491040982.db2.gz MFEFZRRDXUNWFT-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)[C@H](C)[NH2+]CC1(C)CCCCC1 ZINC000222269823 491040976 /nfs/dbraw/zinc/04/09/76/491040976.db2.gz MFEFZRRDXUNWFT-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@@H](C)[C@@H](C)CC)CC1 ZINC000222299843 538194398 /nfs/dbraw/zinc/19/43/98/538194398.db2.gz SRSQYGNMRWCPBX-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@H](C)[C@@H](C)CC)CC1 ZINC000222299902 538194791 /nfs/dbraw/zinc/19/47/91/538194791.db2.gz SRSQYGNMRWCPBX-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@@H](C)[C@H](C)CC)CC1 ZINC000222299953 538196323 /nfs/dbraw/zinc/19/63/23/538196323.db2.gz SRSQYGNMRWCPBX-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@H](C)[C@H](C)CC)CC1 ZINC000222300009 538196240 /nfs/dbraw/zinc/19/62/40/538196240.db2.gz SRSQYGNMRWCPBX-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](C)[NH2+]CC1(CCC)CC1 ZINC000222300450 538195903 /nfs/dbraw/zinc/19/59/03/538195903.db2.gz PJXRAUJRTSKAKG-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@H](C)[NH2+]CC1(CCC)CC1 ZINC000222300499 538196786 /nfs/dbraw/zinc/19/67/86/538196786.db2.gz PJXRAUJRTSKAKG-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC1(C[NH2+][C@@H](CC)C(C)C)CC1 ZINC000222301753 538196040 /nfs/dbraw/zinc/19/60/40/538196040.db2.gz VSIZOPRVJMSNEN-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@H](CC)C(C)C)CC1 ZINC000222301801 538196525 /nfs/dbraw/zinc/19/65/25/538196525.db2.gz VSIZOPRVJMSNEN-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@@H](C)CC(C)C)CC1 ZINC000222302355 538195912 /nfs/dbraw/zinc/19/59/12/538195912.db2.gz JAZVUTAPKFKTMR-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC1(C[NH2+][C@H](C)CC(C)C)CC1 ZINC000222302404 538196725 /nfs/dbraw/zinc/19/67/25/538196725.db2.gz JAZVUTAPKFKTMR-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+]CCC1=CCCC1 ZINC000222385765 491041070 /nfs/dbraw/zinc/04/10/70/491041070.db2.gz RVYVHAFGPRXEIZ-VXGBXAGGSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+]CCC1=CCCC1 ZINC000222385820 491041049 /nfs/dbraw/zinc/04/10/49/491041049.db2.gz RVYVHAFGPRXEIZ-NWDGAFQWSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+]CCC1=CCCC1 ZINC000222385884 491041053 /nfs/dbraw/zinc/04/10/53/491041053.db2.gz RVYVHAFGPRXEIZ-NEPJUHHUSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+]CCC1=CCCC1 ZINC000222385954 491041105 /nfs/dbraw/zinc/04/11/05/491041105.db2.gz RVYVHAFGPRXEIZ-RYUDHWBXSA-N 1 0 195.350 3.511 20 0 AHADRO CCCC[C@@H](C)[NH2+]CCC1=CCCC1 ZINC000222386401 491041047 /nfs/dbraw/zinc/04/10/47/491041047.db2.gz XKYKVCSQOKOUOP-GFCCVEGCSA-N 1 0 195.350 3.655 20 0 AHADRO CCCC[C@H](C)[NH2+]CCC1=CCCC1 ZINC000222386461 491041081 /nfs/dbraw/zinc/04/10/81/491041081.db2.gz XKYKVCSQOKOUOP-LBPRGKRZSA-N 1 0 195.350 3.655 20 0 AHADRO CC[C@@H]([NH2+]CCC1=CCCC1)C(C)C ZINC000222387922 491041019 /nfs/dbraw/zinc/04/10/19/491041019.db2.gz ZXFFWLQPCPFSBW-CYBMUJFWSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H]([NH2+]CCC1=CCCC1)C(C)C ZINC000222387979 491041112 /nfs/dbraw/zinc/04/11/12/491041112.db2.gz ZXFFWLQPCPFSBW-ZDUSSCGKSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)C[C@@H](C)[NH2+]CCC1=CCCC1 ZINC000222388821 491041023 /nfs/dbraw/zinc/04/10/23/491041023.db2.gz KDYZXSJMTZUNOP-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)C[C@H](C)[NH2+]CCC1=CCCC1 ZINC000222388879 491041052 /nfs/dbraw/zinc/04/10/52/491041052.db2.gz KDYZXSJMTZUNOP-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000222507129 344453030 /nfs/dbraw/zinc/45/30/30/344453030.db2.gz HLMVEQJIOAQHIQ-MROQNXINSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000223117822 538197614 /nfs/dbraw/zinc/19/76/14/538197614.db2.gz ULXKPWGNVIMESA-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000223117938 538197781 /nfs/dbraw/zinc/19/77/81/538197781.db2.gz ULXKPWGNVIMESA-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000224499738 491041813 /nfs/dbraw/zinc/04/18/13/491041813.db2.gz ONIQNRLJGIJCOR-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000224499835 491041736 /nfs/dbraw/zinc/04/17/36/491041736.db2.gz ONIQNRLJGIJCOR-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+]CC1(CC)CCC1 ZINC000224507306 582491051 /nfs/dbraw/zinc/49/10/51/582491051.db2.gz QGOFSQSBFBDYDE-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@H](C)[NH2+]CC1(CC)CCC1 ZINC000224507352 582491038 /nfs/dbraw/zinc/49/10/38/582491038.db2.gz QGOFSQSBFBDYDE-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO C/C=C/C[NH2+][C@@H](CC)C1CCCCC1 ZINC000224548042 630845465 /nfs/dbraw/zinc/84/54/65/630845465.db2.gz FVLSVBZXPWYKPE-LQPUYASZSA-N 1 0 195.350 3.511 20 0 AHADRO C/C=C/C[NH2+][C@H](CC)C1CCCCC1 ZINC000224548084 630846069 /nfs/dbraw/zinc/84/60/69/630846069.db2.gz FVLSVBZXPWYKPE-MASHWEEQSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@@H](CC)[NH2+]CC1(CC)CCC1 ZINC000224714951 491041850 /nfs/dbraw/zinc/04/18/50/491041850.db2.gz GDVDCUDCPKCXGZ-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[C@H](CC)[NH2+]CC1(CC)CCC1 ZINC000224714996 491041920 /nfs/dbraw/zinc/04/19/20/491041920.db2.gz GDVDCUDCPKCXGZ-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[C@@H](CC)[NH2+]CC1(CCC)CC1 ZINC000224747873 491041951 /nfs/dbraw/zinc/04/19/51/491041951.db2.gz DROCSQCBMYGAMH-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[C@H](CC)[NH2+]CC1(CCC)CC1 ZINC000224747920 491042032 /nfs/dbraw/zinc/04/20/32/491042032.db2.gz DROCSQCBMYGAMH-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(CC)C[NH2+]C(C)(CC)CC ZINC000224815808 491042048 /nfs/dbraw/zinc/04/20/48/491042048.db2.gz BBUXNHUSHCBVME-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@@H](C)C[NH2+]C(C)(CC)CC ZINC000224815933 491042042 /nfs/dbraw/zinc/04/20/42/491042042.db2.gz DRCQHXPPJGQEGD-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@H](C)C[NH2+]C(C)(CC)CC ZINC000224815976 491042007 /nfs/dbraw/zinc/04/20/07/491042007.db2.gz DRCQHXPPJGQEGD-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@@H](C)C[NH2+]CCC1=CCCC1 ZINC000224920662 491041963 /nfs/dbraw/zinc/04/19/63/491041963.db2.gz ICCXDZGTPKGNER-GFCCVEGCSA-N 1 0 195.350 3.513 20 0 AHADRO CCC[C@H](C)C[NH2+]CCC1=CCCC1 ZINC000224920697 491042057 /nfs/dbraw/zinc/04/20/57/491042057.db2.gz ICCXDZGTPKGNER-LBPRGKRZSA-N 1 0 195.350 3.513 20 0 AHADRO CCCCCC[N@H+](C)[C@@H](C)CCC ZINC000225266316 697690322 /nfs/dbraw/zinc/69/03/22/697690322.db2.gz CZKCHVDSCFOZED-LBPRGKRZSA-N 1 0 185.355 3.687 20 0 AHADRO CCCCCC[N@H+](C)[C@H](C)CCC ZINC000225266350 697690294 /nfs/dbraw/zinc/69/02/94/697690294.db2.gz CZKCHVDSCFOZED-GFCCVEGCSA-N 1 0 185.355 3.687 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000225520636 491042186 /nfs/dbraw/zinc/04/21/86/491042186.db2.gz JNUYXCHRJLHCAG-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000225520667 491042233 /nfs/dbraw/zinc/04/22/33/491042233.db2.gz JNUYXCHRJLHCAG-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)=CC[NH2+]C(C)(C)CC(C)(C)C ZINC000225800972 344487754 /nfs/dbraw/zinc/48/77/54/344487754.db2.gz ZEHGCUHBAHJERU-UHFFFAOYSA-N 1 0 197.366 3.757 20 0 AHADRO CCC(C)(C)CC[NH+]1CCC(C)CC1 ZINC000225934975 344489553 /nfs/dbraw/zinc/48/95/53/344489553.db2.gz GDMQBERPISEOQB-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226171154 491042425 /nfs/dbraw/zinc/04/24/25/491042425.db2.gz LCWIDFGPFVZNFQ-MROQNXINSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@@H](CCC)[NH2+][C@@H](C)C1CC1 ZINC000226330635 491042730 /nfs/dbraw/zinc/04/27/30/491042730.db2.gz IBFKOAVASGNJDB-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@@H](C)C1CC1 ZINC000226330641 491042695 /nfs/dbraw/zinc/04/26/95/491042695.db2.gz IBFKOAVASGNJDB-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CCC)[NH2+][C@H](C)C1CC1 ZINC000226330649 491042700 /nfs/dbraw/zinc/04/27/00/491042700.db2.gz IBFKOAVASGNJDB-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@H](C)C1CC1 ZINC000226330654 491042761 /nfs/dbraw/zinc/04/27/61/491042761.db2.gz IBFKOAVASGNJDB-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000226494287 491042829 /nfs/dbraw/zinc/04/28/29/491042829.db2.gz XQVIIOFNVVEZIN-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000226494299 491042852 /nfs/dbraw/zinc/04/28/52/491042852.db2.gz XQVIIOFNVVEZIN-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000226495385 491042868 /nfs/dbraw/zinc/04/28/68/491042868.db2.gz WTQCUIDITSOJHV-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000226495391 491042774 /nfs/dbraw/zinc/04/27/74/491042774.db2.gz WTQCUIDITSOJHV-UPJWGTAASA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227189663 630855118 /nfs/dbraw/zinc/85/51/18/630855118.db2.gz SIILQUFFTKKPGM-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227189676 630853561 /nfs/dbraw/zinc/85/35/61/630853561.db2.gz SIILQUFFTKKPGM-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+]CC1(CC)CC1 ZINC000227609752 582503058 /nfs/dbraw/zinc/50/30/58/582503058.db2.gz QWLAJSJZLWIILC-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC(CCC)[NH2+]CC1(C)CCC1 ZINC000227609823 582503437 /nfs/dbraw/zinc/50/34/37/582503437.db2.gz GJZAVDPXAHCODU-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227699840 491043836 /nfs/dbraw/zinc/04/38/36/491043836.db2.gz HNCGXJPIGMPGQN-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)(CC)[NH2+]CC=C(C)C ZINC000228122761 491044437 /nfs/dbraw/zinc/04/44/37/491044437.db2.gz YGJSJANYBOJNSY-UHFFFAOYSA-N 1 0 183.339 3.511 20 0 AHADRO CCC(C)(CC)[NH2+]CCC(C)(C)C ZINC000228123387 491044331 /nfs/dbraw/zinc/04/43/31/491044331.db2.gz FHZARNQRNASQIG-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC(C)(CC)[NH2+]CC1CCCCC1 ZINC000228123665 491044352 /nfs/dbraw/zinc/04/43/52/491044352.db2.gz PEODMXGNGAQXOT-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(CC)C[NH2+]CCC1=CCCC1 ZINC000229200596 491044947 /nfs/dbraw/zinc/04/49/47/491044947.db2.gz CLQNDGKTWIPXQZ-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC=C(C)C ZINC000229593161 491045560 /nfs/dbraw/zinc/04/55/60/491045560.db2.gz FKKHYEWAIBMHQU-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H]1CCCC[C@@H]1[NH2+]CC=C(C)C ZINC000229593169 491045569 /nfs/dbraw/zinc/04/55/69/491045569.db2.gz FKKHYEWAIBMHQU-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC000229593178 491045599 /nfs/dbraw/zinc/04/55/99/491045599.db2.gz FKKHYEWAIBMHQU-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC000229593188 491045490 /nfs/dbraw/zinc/04/54/90/491045490.db2.gz FKKHYEWAIBMHQU-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000229594568 491045552 /nfs/dbraw/zinc/04/55/52/491045552.db2.gz OWTVDAJTIWXAQM-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000229594575 491045507 /nfs/dbraw/zinc/04/55/07/491045507.db2.gz OWTVDAJTIWXAQM-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000229594582 491045516 /nfs/dbraw/zinc/04/55/16/491045516.db2.gz OWTVDAJTIWXAQM-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000229594592 491045536 /nfs/dbraw/zinc/04/55/36/491045536.db2.gz OWTVDAJTIWXAQM-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@@H]1CCCCC1(C)C ZINC000229594926 491045562 /nfs/dbraw/zinc/04/55/62/491045562.db2.gz AUQGAMYLEZODHO-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H]1CCCCC1(C)C ZINC000229594935 491045574 /nfs/dbraw/zinc/04/55/74/491045574.db2.gz AUQGAMYLEZODHO-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@@H](C)C1CCCCC1 ZINC000230614365 538210678 /nfs/dbraw/zinc/21/06/78/538210678.db2.gz WVQVLXVCHRSAKA-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H](C)C1CCCCC1 ZINC000230614375 538211964 /nfs/dbraw/zinc/21/19/64/538211964.db2.gz WVQVLXVCHRSAKA-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(C)(C)C[NH2+]C1CCC(C)CC1 ZINC000230636073 344637957 /nfs/dbraw/zinc/63/79/57/344637957.db2.gz YFPYEBJFTRBBDY-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000230764592 538215625 /nfs/dbraw/zinc/21/56/25/538215625.db2.gz PWECNFHVBSYEHM-QWHCGFSZSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000230764594 538215578 /nfs/dbraw/zinc/21/55/78/538215578.db2.gz PWECNFHVBSYEHM-CHWSQXEVSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000230764596 538215406 /nfs/dbraw/zinc/21/54/06/538215406.db2.gz PWECNFHVBSYEHM-STQMWFEESA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000230764598 538214303 /nfs/dbraw/zinc/21/43/03/538214303.db2.gz PWECNFHVBSYEHM-OLZOCXBDSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)=CC[NH2+]C1CCC(C)(C)CC1 ZINC000232598034 538226627 /nfs/dbraw/zinc/22/66/27/538226627.db2.gz CPMYFLNTKQMEBA-UHFFFAOYSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+]CC1CCCCCC1 ZINC000232602062 538229903 /nfs/dbraw/zinc/22/99/03/538229903.db2.gz FUTWAENJJGPNPV-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CC(C)=CC[NH2+]CCC1CCCCC1 ZINC000232602854 538229832 /nfs/dbraw/zinc/22/98/32/538229832.db2.gz LIYIXRGVHZAGCV-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CC(C)=CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000232625863 538229458 /nfs/dbraw/zinc/22/94/58/538229458.db2.gz QQIYYERNWOHSLM-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000232630245 538228391 /nfs/dbraw/zinc/22/83/91/538228391.db2.gz QQIYYERNWOHSLM-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000232896371 538232230 /nfs/dbraw/zinc/23/22/30/538232230.db2.gz WTBXCMKXIOVTTG-CMPLNLGQSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000232896397 538232174 /nfs/dbraw/zinc/23/21/74/538232174.db2.gz WTBXCMKXIOVTTG-ZYHUDNBSSA-N 1 0 197.366 3.589 20 0 AHADRO CCC1CCC([NH2+]CC=C(C)C)CC1 ZINC000232897121 538231991 /nfs/dbraw/zinc/23/19/91/538231991.db2.gz BSQVDSHUMRNEEZ-UHFFFAOYSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(CC)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000232899088 538232090 /nfs/dbraw/zinc/23/20/90/538232090.db2.gz WTBXCMKXIOVTTG-JQWIXIFHSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000232899130 538232389 /nfs/dbraw/zinc/23/23/89/538232389.db2.gz WTBXCMKXIOVTTG-PWSUYJOCSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(CCC)[NH2+]CC=C(C)C ZINC000232936367 538233053 /nfs/dbraw/zinc/23/30/53/538233053.db2.gz CMLCBHPFPAPZCW-UHFFFAOYSA-N 1 0 183.339 3.511 20 0 AHADRO CCCCCC[NH2+]C1CC(C(C)C)C1 ZINC000232949751 630824773 /nfs/dbraw/zinc/82/47/73/630824773.db2.gz NTUTVWOTANVMIA-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H](C)C1CCCC1 ZINC000232966621 538232356 /nfs/dbraw/zinc/23/23/56/538232356.db2.gz CAFCGFLNSJRHEA-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H](C)CC1CCC1 ZINC000232967175 538232369 /nfs/dbraw/zinc/23/23/69/538232369.db2.gz VKXZVHPMSSZNPE-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H]1CCCC1(C)C ZINC000232979229 538232858 /nfs/dbraw/zinc/23/28/58/538232858.db2.gz YXZWLLZEJATFGP-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000232979560 538230665 /nfs/dbraw/zinc/23/06/65/538230665.db2.gz RGTRXUHYYGOYBR-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000232980179 538231014 /nfs/dbraw/zinc/23/10/14/538231014.db2.gz RGTRXUHYYGOYBR-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000232981465 538232163 /nfs/dbraw/zinc/23/21/63/538232163.db2.gz KFDGSNZGORLZJL-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000232982157 538231616 /nfs/dbraw/zinc/23/16/16/538231616.db2.gz KFDGSNZGORLZJL-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[NH2+]CC(C)(C)CC ZINC000232984777 538232288 /nfs/dbraw/zinc/23/22/88/538232288.db2.gz AUYPUJWMTCYVHN-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)CC ZINC000232984778 538232391 /nfs/dbraw/zinc/23/23/91/538232391.db2.gz AUYPUJWMTCYVHN-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H](C)C1CCCC1 ZINC000232989343 538231232 /nfs/dbraw/zinc/23/12/32/538231232.db2.gz CAFCGFLNSJRHEA-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H](C)CC1CCC1 ZINC000232989765 538233084 /nfs/dbraw/zinc/23/30/84/538233084.db2.gz VKXZVHPMSSZNPE-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H]1CCCC1(C)C ZINC000232998713 538232445 /nfs/dbraw/zinc/23/24/45/538232445.db2.gz YXZWLLZEJATFGP-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000232999039 538230859 /nfs/dbraw/zinc/23/08/59/538230859.db2.gz RGTRXUHYYGOYBR-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C ZINC000232999591 538231998 /nfs/dbraw/zinc/23/19/98/538231998.db2.gz RGTRXUHYYGOYBR-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000233000688 538231487 /nfs/dbraw/zinc/23/14/87/538231487.db2.gz KFDGSNZGORLZJL-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000233001218 538232618 /nfs/dbraw/zinc/23/26/18/538232618.db2.gz KFDGSNZGORLZJL-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CC)[NH2+]CC=C(C)C ZINC000233030455 538232245 /nfs/dbraw/zinc/23/22/45/538232245.db2.gz NKRVYXCEKPGZBE-GFCCVEGCSA-N 1 0 183.339 3.511 20 0 AHADRO CCC[C@@H](CC)[NH2+]C1CC(C(C)C)C1 ZINC000233286164 538231334 /nfs/dbraw/zinc/23/13/34/538231334.db2.gz CCBGZOPCSZUVEF-OTTFEQOBSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](CC)[NH2+]CC(C)(C)CC ZINC000233286286 538232268 /nfs/dbraw/zinc/23/22/68/538232268.db2.gz XPCDZWUBRSTROX-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000233338747 538232975 /nfs/dbraw/zinc/23/29/75/538232975.db2.gz QYZRSWNKULUASN-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000233338986 538231091 /nfs/dbraw/zinc/23/10/91/538231091.db2.gz QYZRSWNKULUASN-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+]C1CC(C(C)C)C1 ZINC000233344713 538231242 /nfs/dbraw/zinc/23/12/42/538231242.db2.gz CCBGZOPCSZUVEF-CPCZMJQVSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+]CC(C)(C)CC ZINC000233344801 538230712 /nfs/dbraw/zinc/23/07/12/538230712.db2.gz XPCDZWUBRSTROX-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CC[C@@H]1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC000233909093 538235311 /nfs/dbraw/zinc/23/53/11/538235311.db2.gz LIWVYLNHWRNDDK-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC ZINC000233913113 538235158 /nfs/dbraw/zinc/23/51/58/538235158.db2.gz JKJIHSPSWMAUDU-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC000233914400 538235052 /nfs/dbraw/zinc/23/50/52/538235052.db2.gz LIWVYLNHWRNDDK-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC ZINC000233919100 538233994 /nfs/dbraw/zinc/23/39/94/538233994.db2.gz JKJIHSPSWMAUDU-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC ZINC000234044864 538236969 /nfs/dbraw/zinc/23/69/69/538236969.db2.gz JKJIHSPSWMAUDU-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC000234067509 538237894 /nfs/dbraw/zinc/23/78/94/538237894.db2.gz LIWVYLNHWRNDDK-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC ZINC000234077121 538240173 /nfs/dbraw/zinc/24/01/73/538240173.db2.gz JKJIHSPSWMAUDU-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC000234099842 538239991 /nfs/dbraw/zinc/23/99/91/538239991.db2.gz LIWVYLNHWRNDDK-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000235267034 344738915 /nfs/dbraw/zinc/73/89/15/344738915.db2.gz JWEKVUQZPZWKGV-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000235286813 344740783 /nfs/dbraw/zinc/74/07/83/344740783.db2.gz JWEKVUQZPZWKGV-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000235555074 344754655 /nfs/dbraw/zinc/75/46/55/344754655.db2.gz JWEKVUQZPZWKGV-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000235580718 344757102 /nfs/dbraw/zinc/75/71/02/344757102.db2.gz JWEKVUQZPZWKGV-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]CCC(C)C ZINC000238160701 344794617 /nfs/dbraw/zinc/79/46/17/344794617.db2.gz KSAAFOYHFSQPNC-ZDUSSCGKSA-N 1 0 197.366 3.757 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC(C)C ZINC000238160999 344794520 /nfs/dbraw/zinc/79/45/20/344794520.db2.gz KSAAFOYHFSQPNC-CYBMUJFWSA-N 1 0 197.366 3.757 20 0 AHADRO CCC(CC)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000238853569 344823699 /nfs/dbraw/zinc/82/36/99/344823699.db2.gz KCGFMIUIERSZND-PJXYFTJBSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249819146 344827929 /nfs/dbraw/zinc/82/79/29/344827929.db2.gz SVQHRPQCIKNYIS-ITGUQSILSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000250381297 538257405 /nfs/dbraw/zinc/25/74/05/538257405.db2.gz DUDQQWDLYGZCAL-DMDPSCGWSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000250381300 538257447 /nfs/dbraw/zinc/25/74/47/538257447.db2.gz DUDQQWDLYGZCAL-NQBHXWOUSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000250397846 344833159 /nfs/dbraw/zinc/83/31/59/344833159.db2.gz KMSNDLPYBVGUMJ-PJXYFTJBSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000250741241 566285437 /nfs/dbraw/zinc/28/54/37/566285437.db2.gz OCOIUIKZIPOXNH-DMDPSCGWSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000250741245 566285544 /nfs/dbraw/zinc/28/55/44/566285544.db2.gz OCOIUIKZIPOXNH-NQBHXWOUSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000250836473 631163063 /nfs/dbraw/zinc/16/30/63/631163063.db2.gz VENOZCPYIABOBQ-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000250836476 631162558 /nfs/dbraw/zinc/16/25/58/631162558.db2.gz VENOZCPYIABOBQ-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CCCC[C@H]1C ZINC000251130729 538260433 /nfs/dbraw/zinc/26/04/33/538260433.db2.gz JOWVQZLCOBAEEV-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1C ZINC000251130733 538259894 /nfs/dbraw/zinc/25/98/94/538259894.db2.gz JOWVQZLCOBAEEV-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CCCCC[C@H]1C ZINC000251264165 538260323 /nfs/dbraw/zinc/26/03/23/538260323.db2.gz DDYFXUFHJBDLEL-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000251264168 538260440 /nfs/dbraw/zinc/26/04/40/538260440.db2.gz DDYFXUFHJBDLEL-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251276803 538260016 /nfs/dbraw/zinc/26/00/16/538260016.db2.gz FUGWUZULILFGAZ-FVCCEPFGSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000251276804 538260374 /nfs/dbraw/zinc/26/03/74/538260374.db2.gz FUGWUZULILFGAZ-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000251316356 538262370 /nfs/dbraw/zinc/26/23/70/538262370.db2.gz LCWIDFGPFVZNFQ-FVCCEPFGSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000251316360 538261676 /nfs/dbraw/zinc/26/16/76/538261676.db2.gz LCWIDFGPFVZNFQ-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@H]1CCC[C@H]1C ZINC000251324498 538260943 /nfs/dbraw/zinc/26/09/43/538260943.db2.gz KMLVUPUYKGBJIJ-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1C ZINC000251324500 538260890 /nfs/dbraw/zinc/26/08/90/538260890.db2.gz KMLVUPUYKGBJIJ-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](C)C[C@H](C)CC ZINC000251326172 538261637 /nfs/dbraw/zinc/26/16/37/538261637.db2.gz MQGSYEYASUQYIJ-GRYCIOLGSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)CC ZINC000251326175 538261344 /nfs/dbraw/zinc/26/13/44/538261344.db2.gz MQGSYEYASUQYIJ-WOPDTQHZSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000251358447 344852741 /nfs/dbraw/zinc/85/27/41/344852741.db2.gz RVWAMQIRLQQVSC-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000251358450 344852900 /nfs/dbraw/zinc/85/29/00/344852900.db2.gz RVWAMQIRLQQVSC-UTUOFQBUSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000251358454 344852632 /nfs/dbraw/zinc/85/26/32/344852632.db2.gz RVWAMQIRLQQVSC-XQHKEYJVSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000251382260 538261062 /nfs/dbraw/zinc/26/10/62/538261062.db2.gz UAZDMVQIGHXQNS-GRYCIOLGSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000251382263 538262360 /nfs/dbraw/zinc/26/23/60/538262360.db2.gz UAZDMVQIGHXQNS-WOPDTQHZSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000251392610 538262572 /nfs/dbraw/zinc/26/25/72/538262572.db2.gz WYPSJVVEXYJEFR-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000251392611 538260812 /nfs/dbraw/zinc/26/08/12/538260812.db2.gz WYPSJVVEXYJEFR-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000251759119 538265668 /nfs/dbraw/zinc/26/56/68/538265668.db2.gz HNCGXJPIGMPGQN-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000251759122 538263674 /nfs/dbraw/zinc/26/36/74/538263674.db2.gz HNCGXJPIGMPGQN-RNJOBUHISA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](CC)C[C@@H](C)CC ZINC000251845536 538263306 /nfs/dbraw/zinc/26/33/06/538263306.db2.gz MCVIMJOOVFRVPC-QJPTWQEYSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000251845537 538265207 /nfs/dbraw/zinc/26/52/07/538265207.db2.gz MCVIMJOOVFRVPC-TUAOUCFPSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@H](C)C[C@@H](C)CC)C1CC1 ZINC000251950446 538265927 /nfs/dbraw/zinc/26/59/27/538265927.db2.gz UKBBJVXYCUKZMP-DMDPSCGWSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC)C1CC1 ZINC000251950447 538264775 /nfs/dbraw/zinc/26/47/75/538264775.db2.gz UKBBJVXYCUKZMP-GMXVVIOVSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000251950853 538265603 /nfs/dbraw/zinc/26/56/03/538265603.db2.gz ULAQBASECNMENX-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000251950854 538263923 /nfs/dbraw/zinc/26/39/23/538263923.db2.gz ULAQBASECNMENX-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000251950855 538265179 /nfs/dbraw/zinc/26/51/79/538265179.db2.gz ULAQBASECNMENX-RNJOBUHISA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000251959424 538264502 /nfs/dbraw/zinc/26/45/02/538264502.db2.gz VMZUCDIKEAJQKK-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000251959426 538265504 /nfs/dbraw/zinc/26/55/04/538265504.db2.gz VMZUCDIKEAJQKK-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000252033997 538263493 /nfs/dbraw/zinc/26/34/93/538263493.db2.gz ZWHBJEKPZMLFHL-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000252033998 538267752 /nfs/dbraw/zinc/26/77/52/538267752.db2.gz ZWHBJEKPZMLFHL-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(C)C ZINC000252411568 538267177 /nfs/dbraw/zinc/26/71/77/538267177.db2.gz NABXKMCAVLNRBU-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(C)C ZINC000252411570 538266552 /nfs/dbraw/zinc/26/65/52/538266552.db2.gz NABXKMCAVLNRBU-UPJWGTAASA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000252425011 538267781 /nfs/dbraw/zinc/26/77/81/538267781.db2.gz KSOUCZOVXMALIJ-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252425012 538268360 /nfs/dbraw/zinc/26/83/60/538268360.db2.gz KSOUCZOVXMALIJ-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000252435004 344895746 /nfs/dbraw/zinc/89/57/46/344895746.db2.gz HLMVEQJIOAQHIQ-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000252435005 344895884 /nfs/dbraw/zinc/89/58/84/344895884.db2.gz HLMVEQJIOAQHIQ-VOAKCMCISA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC ZINC000252709065 538271290 /nfs/dbraw/zinc/27/12/90/538271290.db2.gz BXJPISFNMXMVJM-JHJVBQTASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC ZINC000252709066 538270617 /nfs/dbraw/zinc/27/06/17/538270617.db2.gz BXJPISFNMXMVJM-UPJWGTAASA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC(C)C ZINC000252711950 538272367 /nfs/dbraw/zinc/27/23/67/538272367.db2.gz LAINEVNUBLAPGX-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC(C)C ZINC000252711951 538273176 /nfs/dbraw/zinc/27/31/76/538273176.db2.gz LAINEVNUBLAPGX-UPJWGTAASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000252714014 538270934 /nfs/dbraw/zinc/27/09/34/538270934.db2.gz QUPXMIVPOFHUGS-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CC1CCC1 ZINC000252714015 538271414 /nfs/dbraw/zinc/27/14/14/538271414.db2.gz QUPXMIVPOFHUGS-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CC ZINC000252714853 538274466 /nfs/dbraw/zinc/27/44/66/538274466.db2.gz TXJBZAVFUGIPKQ-XQQFMLRXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC ZINC000252714854 538274442 /nfs/dbraw/zinc/27/44/42/538274442.db2.gz TXJBZAVFUGIPKQ-YNEHKIRRSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC ZINC000252717085 538276239 /nfs/dbraw/zinc/27/62/39/538276239.db2.gz ZTFDFMHXVWSCGX-JHJVBQTASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC ZINC000252717086 538274715 /nfs/dbraw/zinc/27/47/15/538274715.db2.gz ZTFDFMHXVWSCGX-UPJWGTAASA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252728996 344910636 /nfs/dbraw/zinc/91/06/36/344910636.db2.gz DTKQVVMTWMICTR-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252728997 344910794 /nfs/dbraw/zinc/91/07/94/344910794.db2.gz DTKQVVMTWMICTR-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252730682 344911368 /nfs/dbraw/zinc/91/13/68/344911368.db2.gz MJDHQZBZILAMGH-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252730683 344911333 /nfs/dbraw/zinc/91/13/33/344911333.db2.gz MJDHQZBZILAMGH-JHJVBQTASA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H]([NH2+][C@H]1CC[C@H](C)CC1)C(C)C ZINC000252730716 538275273 /nfs/dbraw/zinc/27/52/73/538275273.db2.gz MNEJXJTTYITDPF-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@H]1CC[C@H](C)CC1)C(C)C ZINC000252730717 538277091 /nfs/dbraw/zinc/27/70/91/538277091.db2.gz MNEJXJTTYITDPF-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000252732497 538278821 /nfs/dbraw/zinc/27/88/21/538278821.db2.gz VHLAXKJYWZSYFO-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000252732498 538279527 /nfs/dbraw/zinc/27/95/27/538279527.db2.gz VHLAXKJYWZSYFO-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252732696 538279153 /nfs/dbraw/zinc/27/91/53/538279153.db2.gz WHVMIBOJFVCZOT-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252732697 538278741 /nfs/dbraw/zinc/27/87/41/538278741.db2.gz WHVMIBOJFVCZOT-FDYHWXHSSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252732698 538278072 /nfs/dbraw/zinc/27/80/72/538278072.db2.gz WHVMIBOJFVCZOT-FVCCEPFGSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252732699 538277625 /nfs/dbraw/zinc/27/76/25/538277625.db2.gz WHVMIBOJFVCZOT-RVMXOQNASA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C(C)(C)C ZINC000252733083 344911402 /nfs/dbraw/zinc/91/14/02/344911402.db2.gz XUNACILMXRCAME-IJLUTSLNSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)C(C)(C)C ZINC000252733084 344911428 /nfs/dbraw/zinc/91/14/28/344911428.db2.gz XUNACILMXRCAME-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000252742143 538278255 /nfs/dbraw/zinc/27/82/55/538278255.db2.gz XSKVMSHPTMVTJM-WUHRBBMRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000252742145 538278006 /nfs/dbraw/zinc/27/80/06/538278006.db2.gz XSKVMSHPTMVTJM-YVECIDJPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000252742147 538278757 /nfs/dbraw/zinc/27/87/57/538278757.db2.gz XSKVMSHPTMVTJM-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252742300 538278847 /nfs/dbraw/zinc/27/88/47/538278847.db2.gz MVRJHQWPCOOYHX-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H]1CC[C@H](C)CC1 ZINC000252742301 538278495 /nfs/dbraw/zinc/27/84/95/538278495.db2.gz MVRJHQWPCOOYHX-JHJVBQTASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300063102 490089633 /nfs/dbraw/zinc/08/96/33/490089633.db2.gz QYZRSWNKULUASN-GRYCIOLGSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300063103 490089826 /nfs/dbraw/zinc/08/98/26/490089826.db2.gz QYZRSWNKULUASN-WOPDTQHZSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000300214554 490089784 /nfs/dbraw/zinc/08/97/84/490089784.db2.gz ULXKPWGNVIMESA-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000300214555 490089715 /nfs/dbraw/zinc/08/97/15/490089715.db2.gz ULXKPWGNVIMESA-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](CC)[NH2+]CC=C(C)C ZINC000300398852 490098167 /nfs/dbraw/zinc/09/81/67/490098167.db2.gz NKRVYXCEKPGZBE-LBPRGKRZSA-N 1 0 183.339 3.511 20 0 AHADRO C[C@@H]([NH2+]CCC1CCCC1)C(C)(C)C ZINC000300717662 344983120 /nfs/dbraw/zinc/98/31/20/344983120.db2.gz VCPJXZMPGZSVON-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]([NH2+]CCC1CCCC1)C(C)(C)C ZINC000300717663 344983072 /nfs/dbraw/zinc/98/30/72/344983072.db2.gz VCPJXZMPGZSVON-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]([NH2+]CCCC(C)(C)C)C1CCC1 ZINC000300783660 490101167 /nfs/dbraw/zinc/10/11/67/490101167.db2.gz UUAUUSSVAHSEFX-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]([NH2+]CCCC(C)(C)C)C1CCC1 ZINC000300783663 490101044 /nfs/dbraw/zinc/10/10/44/490101044.db2.gz UUAUUSSVAHSEFX-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CCC[NH2+]CC1(C)CCC1 ZINC000300838071 490103857 /nfs/dbraw/zinc/10/38/57/490103857.db2.gz IZMJHPFOAGZUQF-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC(C)C[C@@H](C)C[NH2+]C1CCCCC1 ZINC000300851954 490105440 /nfs/dbraw/zinc/10/54/40/490105440.db2.gz FJQDMOGSGBTLAR-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@H](C)C[NH2+]C1CCCCC1 ZINC000300851955 490105820 /nfs/dbraw/zinc/10/58/20/490105820.db2.gz FJQDMOGSGBTLAR-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@@H](C)C[NH2+]C1(C)CCCC1 ZINC000300880933 490107234 /nfs/dbraw/zinc/10/72/34/490107234.db2.gz IUZXDSOGZKMYDW-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C[C@H](C)C[NH2+]C1(C)CCCC1 ZINC000300880934 490107043 /nfs/dbraw/zinc/10/70/43/490107043.db2.gz IUZXDSOGZKMYDW-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1([NH2+]C[C@H](C)CC(C)C)CCC1 ZINC000300977469 490111468 /nfs/dbraw/zinc/11/14/68/490111468.db2.gz SXQCSAQESSPQII-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1([NH2+]C[C@@H](C)CC(C)C)CCC1 ZINC000300977470 490111388 /nfs/dbraw/zinc/11/13/88/490111388.db2.gz SXQCSAQESSPQII-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC1=CC[C@H]([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000307155453 409620970 /nfs/dbraw/zinc/62/09/70/409620970.db2.gz FAHAHOSECJTBAY-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO CC1=CC[C@@H]([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000307155546 409622175 /nfs/dbraw/zinc/62/21/75/409622175.db2.gz FAHAHOSECJTBAY-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO CCC(C)(C)[N@H+](C)CCC(C)(C)C ZINC000308192360 346267681 /nfs/dbraw/zinc/26/76/81/346267681.db2.gz ORJQNQKGHCBLTC-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CCC(CC)[N@H+](CC)CCC(C)C ZINC000308208108 491084335 /nfs/dbraw/zinc/08/43/35/491084335.db2.gz DPLVFKBIXFMIIL-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)[N@H+](CCC)CC(C)C ZINC000308212707 487196800 /nfs/dbraw/zinc/19/68/00/487196800.db2.gz HHBMMEJFBDGKMC-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)[N@H+](CCC)CC(C)C ZINC000308212708 487196742 /nfs/dbraw/zinc/19/67/42/487196742.db2.gz HHBMMEJFBDGKMC-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)CC ZINC000308213129 491084679 /nfs/dbraw/zinc/08/46/79/491084679.db2.gz HMEYTEANVIDZQS-QJPTWQEYSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)CC ZINC000308213132 491084530 /nfs/dbraw/zinc/08/45/30/491084530.db2.gz HMEYTEANVIDZQS-SDDRHHMPSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)CC ZINC000308213133 491084545 /nfs/dbraw/zinc/08/45/45/491084545.db2.gz HMEYTEANVIDZQS-SRVKXCTJSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)CC ZINC000308213135 491084574 /nfs/dbraw/zinc/08/45/74/491084574.db2.gz HMEYTEANVIDZQS-TUAOUCFPSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@@H](C)C[N@H+](C)C(C)(C)CC ZINC000308215351 491084946 /nfs/dbraw/zinc/08/49/46/491084946.db2.gz JCCNCTIMAMRYDE-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)C[N@H+](C)C(C)(C)CC ZINC000308215352 491084808 /nfs/dbraw/zinc/08/48/08/491084808.db2.gz JCCNCTIMAMRYDE-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)CCC ZINC000308233778 491086748 /nfs/dbraw/zinc/08/67/48/491086748.db2.gz QAPDRGRBUKSLSW-NEPJUHHUSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)[N@@H+](C)C[C@@H](C)CCC ZINC000308233779 491086733 /nfs/dbraw/zinc/08/67/33/491086733.db2.gz QAPDRGRBUKSLSW-NWDGAFQWSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)CCC ZINC000308233780 491086716 /nfs/dbraw/zinc/08/67/16/491086716.db2.gz QAPDRGRBUKSLSW-RYUDHWBXSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)CCC ZINC000308233781 491086809 /nfs/dbraw/zinc/08/68/09/491086809.db2.gz QAPDRGRBUKSLSW-VXGBXAGGSA-N 1 0 185.355 3.543 20 0 AHADRO CCCCC[N@H+](CCC)CC(C)C ZINC000308234216 346273260 /nfs/dbraw/zinc/27/32/60/346273260.db2.gz QDMIXPYQKJZHBK-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[C@H](C)[N@H+](C)C[C@H](C)CC ZINC000308287459 491093110 /nfs/dbraw/zinc/09/31/10/491093110.db2.gz FBIIAPXZMZIKMG-NEPJUHHUSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)C[C@@H](C)CC ZINC000308287460 491093100 /nfs/dbraw/zinc/09/31/00/491093100.db2.gz FBIIAPXZMZIKMG-NWDGAFQWSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@H](C)[N@H+](C)C[C@@H](C)CC ZINC000308287461 491093205 /nfs/dbraw/zinc/09/32/05/491093205.db2.gz FBIIAPXZMZIKMG-RYUDHWBXSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)C[C@H](C)CC ZINC000308287462 491093158 /nfs/dbraw/zinc/09/31/58/491093158.db2.gz FBIIAPXZMZIKMG-VXGBXAGGSA-N 1 0 185.355 3.543 20 0 AHADRO CCC(CC)[N@@H+](CC)C[C@H](C)CC ZINC000308293494 491093830 /nfs/dbraw/zinc/09/38/30/491093830.db2.gz IUBCVTAKHMTDAK-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CCC(CC)[N@@H+](CC)C[C@@H](C)CC ZINC000308293495 491093726 /nfs/dbraw/zinc/09/37/26/491093726.db2.gz IUBCVTAKHMTDAK-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CCC(CC)[NH2+]CCC(C)(C)CC ZINC000308306868 346285807 /nfs/dbraw/zinc/28/58/07/346285807.db2.gz OYAQXOGOWJXTNV-UHFFFAOYSA-N 1 0 185.355 3.591 20 0 AHADRO CCC(CC)C[N@H+](CC)[C@H](C)CC ZINC000308309573 491095369 /nfs/dbraw/zinc/09/53/69/491095369.db2.gz QIPSWFKZEOAIBS-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CCC(CC)C[N@H+](CC)[C@@H](C)CC ZINC000308309575 491095397 /nfs/dbraw/zinc/09/53/97/491095397.db2.gz QIPSWFKZEOAIBS-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)CCC(C)C ZINC000308311238 491095583 /nfs/dbraw/zinc/09/55/83/491095583.db2.gz RMIXUPIVXDWIGW-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@H](C)[N@H+](C)CCC(C)C ZINC000308311239 491095556 /nfs/dbraw/zinc/09/55/56/491095556.db2.gz RMIXUPIVXDWIGW-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)[N@H+](C)CCC(C)(C)C ZINC000308327185 346289977 /nfs/dbraw/zinc/28/99/77/346289977.db2.gz GFSPHIPTDQDZNE-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)[N@H+](C)CCC(C)(C)C ZINC000308327186 346290007 /nfs/dbraw/zinc/29/00/07/346290007.db2.gz GFSPHIPTDQDZNE-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CCC[N@H+](CC(C)C)C(CC)CC ZINC000308328643 491097490 /nfs/dbraw/zinc/09/74/90/491097490.db2.gz HJVVZZQCTUOMSI-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC ZINC000308332063 491097660 /nfs/dbraw/zinc/09/76/60/491097660.db2.gz JEOIWTUQOMLNQF-QJPTWQEYSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC ZINC000308332064 491097725 /nfs/dbraw/zinc/09/77/25/491097725.db2.gz JEOIWTUQOMLNQF-SDDRHHMPSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC ZINC000308332065 491097765 /nfs/dbraw/zinc/09/77/65/491097765.db2.gz JEOIWTUQOMLNQF-SRVKXCTJSA-N 1 0 185.355 3.589 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)CC ZINC000308332066 491097646 /nfs/dbraw/zinc/09/76/46/491097646.db2.gz JEOIWTUQOMLNQF-TUAOUCFPSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[N@H+](C)[C@H](C)CCCC(C)C ZINC000308384736 573412907 /nfs/dbraw/zinc/41/29/07/573412907.db2.gz WFIQCGOJLLLVID-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[N@H+](C)[C@@H](C)CCCC(C)C ZINC000308384739 573409612 /nfs/dbraw/zinc/40/96/12/573409612.db2.gz WFIQCGOJLLLVID-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)[N@H+](C)CCCC(C)C ZINC000308385254 491100198 /nfs/dbraw/zinc/10/01/98/491100198.db2.gz WMTMQQRZIXSCSS-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)[N@H+](C)CCCC(C)C ZINC000308385255 491100230 /nfs/dbraw/zinc/10/02/30/491100230.db2.gz WMTMQQRZIXSCSS-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCCCCC[N@H+](C)[C@H](C)C(C)C ZINC000308396189 573506865 /nfs/dbraw/zinc/50/68/65/573506865.db2.gz DITLOWHMJFCSDU-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCCCCC[N@H+](C)[C@@H](C)C(C)C ZINC000308396190 573508757 /nfs/dbraw/zinc/50/87/57/573508757.db2.gz DITLOWHMJFCSDU-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO C/C=C\C[NH2+][C@@H](CC)C1CCCCC1 ZINC000308399739 573506026 /nfs/dbraw/zinc/50/60/26/573506026.db2.gz FVLSVBZXPWYKPE-DXTPNHAXSA-N 1 0 195.350 3.511 20 0 AHADRO C/C=C\C[NH2+][C@H](CC)C1CCCCC1 ZINC000308399742 573505732 /nfs/dbraw/zinc/50/57/32/573505732.db2.gz FVLSVBZXPWYKPE-HSBHDXMMSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@@H](C)[NH2+]CCCCC(C)(C)C ZINC000308402180 491101743 /nfs/dbraw/zinc/10/17/43/491101743.db2.gz HPMBBLGGJRZZJE-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CC[C@H](C)[NH2+]CCCCC(C)(C)C ZINC000308402181 491101667 /nfs/dbraw/zinc/10/16/67/491101667.db2.gz HPMBBLGGJRZZJE-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCCCCC[N@H+](C)C[C@H](C)CC ZINC000308413655 673944790 /nfs/dbraw/zinc/94/47/90/673944790.db2.gz MKIGOLFIUJMQQH-GFCCVEGCSA-N 1 0 185.355 3.545 20 0 AHADRO CCCCCC[N@H+](C)C[C@@H](C)CC ZINC000308413656 573677192 /nfs/dbraw/zinc/67/71/92/573677192.db2.gz MKIGOLFIUJMQQH-LBPRGKRZSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[NH2+][C@@H](C)[C@H](C)CCCC ZINC000308459343 491105588 /nfs/dbraw/zinc/10/55/88/491105588.db2.gz GYWODCHKFQBEGQ-NEPJUHHUSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000308459344 491105446 /nfs/dbraw/zinc/10/54/46/491105446.db2.gz GYWODCHKFQBEGQ-NWDGAFQWSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000308459345 491105443 /nfs/dbraw/zinc/10/54/43/491105443.db2.gz GYWODCHKFQBEGQ-RYUDHWBXSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@H](C)[C@H](C)CCCC ZINC000308459346 491105440 /nfs/dbraw/zinc/10/54/40/491105440.db2.gz GYWODCHKFQBEGQ-VXGBXAGGSA-N 1 0 185.355 3.591 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@@H]1C ZINC000308466727 491105861 /nfs/dbraw/zinc/10/58/61/491105861.db2.gz AALSTNYMMMIFQC-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H]1C ZINC000308466728 491105851 /nfs/dbraw/zinc/10/58/51/491105851.db2.gz AALSTNYMMMIFQC-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC[C@H]1C ZINC000308466729 491105808 /nfs/dbraw/zinc/10/58/08/491105808.db2.gz AALSTNYMMMIFQC-RNJOBUHISA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C ZINC000308466730 491105801 /nfs/dbraw/zinc/10/58/01/491105801.db2.gz AALSTNYMMMIFQC-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(CCC)[NH2+][C@@H]1CCC1(C)C ZINC000308470699 573946127 /nfs/dbraw/zinc/94/61/27/573946127.db2.gz BLLCOWZENHPRRE-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H]1CCC1(C)C ZINC000308470701 573945431 /nfs/dbraw/zinc/94/54/31/573945431.db2.gz BLLCOWZENHPRRE-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+]CCC1(C)CC1 ZINC000308472292 491106090 /nfs/dbraw/zinc/10/60/90/491106090.db2.gz AADOLODRYJISEY-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@@H]([NH2+]CC(C)C)C1CCC1 ZINC000308472295 491106091 /nfs/dbraw/zinc/10/60/91/491106091.db2.gz AAFFXGOPXSPKFE-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H]([NH2+]CC(C)C)C1CCC1 ZINC000308472296 491106074 /nfs/dbraw/zinc/10/60/74/491106074.db2.gz AAFFXGOPXSPKFE-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308474665 491106227 /nfs/dbraw/zinc/10/62/27/491106227.db2.gz DBIJGTOOKCMZFX-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308474666 491106297 /nfs/dbraw/zinc/10/62/97/491106297.db2.gz DBIJGTOOKCMZFX-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308474667 491106323 /nfs/dbraw/zinc/10/63/23/491106323.db2.gz DBIJGTOOKCMZFX-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308474668 491106245 /nfs/dbraw/zinc/10/62/45/491106245.db2.gz DBIJGTOOKCMZFX-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000308478061 573027653 /nfs/dbraw/zinc/02/76/53/573027653.db2.gz FNCKAACQMKKLPX-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000308478062 573025136 /nfs/dbraw/zinc/02/51/36/573025136.db2.gz FNCKAACQMKKLPX-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000308478063 573028860 /nfs/dbraw/zinc/02/88/60/573028860.db2.gz FNCKAACQMKKLPX-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000308478065 573024316 /nfs/dbraw/zinc/02/43/16/573024316.db2.gz FNCKAACQMKKLPX-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308479629 491106451 /nfs/dbraw/zinc/10/64/51/491106451.db2.gz GGAVZKHACGCJKS-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308479630 491106420 /nfs/dbraw/zinc/10/64/20/491106420.db2.gz GGAVZKHACGCJKS-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000308479632 491106471 /nfs/dbraw/zinc/10/64/71/491106471.db2.gz GGAVZKHACGCJKS-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000308479633 491106550 /nfs/dbraw/zinc/10/65/50/491106550.db2.gz GGAVZKHACGCJKS-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000308486854 491107042 /nfs/dbraw/zinc/10/70/42/491107042.db2.gz PLPCZMJJEBWSGW-NEPJUHHUSA-N 1 0 183.339 3.509 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000308486857 491107066 /nfs/dbraw/zinc/10/70/66/491107066.db2.gz PLPCZMJJEBWSGW-NWDGAFQWSA-N 1 0 183.339 3.509 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000308486861 491106948 /nfs/dbraw/zinc/10/69/48/491106948.db2.gz PLPCZMJJEBWSGW-RYUDHWBXSA-N 1 0 183.339 3.509 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000308486865 491106933 /nfs/dbraw/zinc/10/69/33/491106933.db2.gz PLPCZMJJEBWSGW-VXGBXAGGSA-N 1 0 183.339 3.509 20 0 AHADRO CC[NH2+]C(C)(C)CC1CCCCCC1 ZINC000308487172 491106943 /nfs/dbraw/zinc/10/69/43/491106943.db2.gz AFKVVGYSNDGPHZ-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(CC)[N@H+](C)CCCC(C)C ZINC000308487507 573060293 /nfs/dbraw/zinc/06/02/93/573060293.db2.gz PSIWRLBGFBENDO-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308487884 491107118 /nfs/dbraw/zinc/10/71/18/491107118.db2.gz PNZMGPVRHRPGFI-NEPJUHHUSA-N 1 0 199.382 3.835 20 0 AHADRO CC(C)[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308487885 491106934 /nfs/dbraw/zinc/10/69/34/491106934.db2.gz PNZMGPVRHRPGFI-NWDGAFQWSA-N 1 0 199.382 3.835 20 0 AHADRO CC(C)[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000308487887 491107060 /nfs/dbraw/zinc/10/70/60/491107060.db2.gz PNZMGPVRHRPGFI-RYUDHWBXSA-N 1 0 199.382 3.835 20 0 AHADRO CC(C)[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000308487888 491106967 /nfs/dbraw/zinc/10/69/67/491106967.db2.gz PNZMGPVRHRPGFI-VXGBXAGGSA-N 1 0 199.382 3.835 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+]CCC1CC1 ZINC000308490429 491107348 /nfs/dbraw/zinc/10/73/48/491107348.db2.gz QHNUQCPYJYUXHS-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+]CCC1CC1 ZINC000308490430 491107363 /nfs/dbraw/zinc/10/73/63/491107363.db2.gz QHNUQCPYJYUXHS-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+]CCCCC(C)C ZINC000308491781 630013073 /nfs/dbraw/zinc/01/30/73/630013073.db2.gz BYEGLKIDBLCPLD-UHFFFAOYSA-N 1 0 199.382 3.839 20 0 AHADRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@H]1C ZINC000308494740 491107574 /nfs/dbraw/zinc/10/75/74/491107574.db2.gz CTGHCKZSEGHOGZ-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H]1C ZINC000308494742 491107642 /nfs/dbraw/zinc/10/76/42/491107642.db2.gz CTGHCKZSEGHOGZ-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@@H]1C ZINC000308494743 491107491 /nfs/dbraw/zinc/10/74/91/491107491.db2.gz CTGHCKZSEGHOGZ-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H]1C ZINC000308494744 491107605 /nfs/dbraw/zinc/10/76/05/491107605.db2.gz CTGHCKZSEGHOGZ-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CCC[NH2+]C1CC(C)(C)C1 ZINC000308495149 491107780 /nfs/dbraw/zinc/10/77/80/491107780.db2.gz CXLISZHPPDVNRF-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CC1=CC[C@@H]([NH2+][C@H](C)CC(C)C)CC1 ZINC000308497779 491108019 /nfs/dbraw/zinc/10/80/19/491108019.db2.gz FBJRCAPYHWEWLL-CHWSQXEVSA-N 1 0 195.350 3.509 20 0 AHADRO CC1=CC[C@H]([NH2+][C@H](C)CC(C)C)CC1 ZINC000308497780 491108140 /nfs/dbraw/zinc/10/81/40/491108140.db2.gz FBJRCAPYHWEWLL-OLZOCXBDSA-N 1 0 195.350 3.509 20 0 AHADRO CC1=CC[C@@H]([NH2+][C@@H](C)CC(C)C)CC1 ZINC000308497781 491108130 /nfs/dbraw/zinc/10/81/30/491108130.db2.gz FBJRCAPYHWEWLL-QWHCGFSZSA-N 1 0 195.350 3.509 20 0 AHADRO CC1=CC[C@H]([NH2+][C@@H](C)CC(C)C)CC1 ZINC000308497782 491107988 /nfs/dbraw/zinc/10/79/88/491107988.db2.gz FBJRCAPYHWEWLL-STQMWFEESA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CC[NH2+][C@H](C)CCC(C)(C)C ZINC000308498797 491108136 /nfs/dbraw/zinc/10/81/36/491108136.db2.gz UYGXWGPODKVCRQ-GFCCVEGCSA-N 1 0 197.366 3.757 20 0 AHADRO CC(C)=CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308498798 491108111 /nfs/dbraw/zinc/10/81/11/491108111.db2.gz UYGXWGPODKVCRQ-LBPRGKRZSA-N 1 0 197.366 3.757 20 0 AHADRO CC[C@@H](C)[C@H](C)[NH2+]C(C(C)C)C(C)C ZINC000308499586 491108123 /nfs/dbraw/zinc/10/81/23/491108123.db2.gz VJWYMPCKUHCBCG-NEPJUHHUSA-N 1 0 199.382 3.691 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+]C(C(C)C)C(C)C ZINC000308499587 491108015 /nfs/dbraw/zinc/10/80/15/491108015.db2.gz VJWYMPCKUHCBCG-NWDGAFQWSA-N 1 0 199.382 3.691 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+]C(C(C)C)C(C)C ZINC000308499588 491108106 /nfs/dbraw/zinc/10/81/06/491108106.db2.gz VJWYMPCKUHCBCG-RYUDHWBXSA-N 1 0 199.382 3.691 20 0 AHADRO CC[C@@H](C)[C@@H](C)[NH2+]C(C(C)C)C(C)C ZINC000308499589 491108176 /nfs/dbraw/zinc/10/81/76/491108176.db2.gz VJWYMPCKUHCBCG-VXGBXAGGSA-N 1 0 199.382 3.691 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000308499845 491108384 /nfs/dbraw/zinc/10/83/84/491108384.db2.gz FZILVZFUAHATFG-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000308499846 491108442 /nfs/dbraw/zinc/10/84/42/491108442.db2.gz FZILVZFUAHATFG-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000308499847 491108499 /nfs/dbraw/zinc/10/84/99/491108499.db2.gz FZILVZFUAHATFG-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000308499848 491108515 /nfs/dbraw/zinc/10/85/15/491108515.db2.gz FZILVZFUAHATFG-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[NH2+][C@@H](CC)[C@H](C)CCC ZINC000308504364 491108814 /nfs/dbraw/zinc/10/88/14/491108814.db2.gz YKKYYLDDWGOPJE-NEPJUHHUSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@H](CC)[C@@H](C)CCC ZINC000308504365 491108621 /nfs/dbraw/zinc/10/86/21/491108621.db2.gz YKKYYLDDWGOPJE-NWDGAFQWSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000308504366 491108841 /nfs/dbraw/zinc/10/88/41/491108841.db2.gz YKKYYLDDWGOPJE-RYUDHWBXSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@H](CC)[C@H](C)CCC ZINC000308504367 491108830 /nfs/dbraw/zinc/10/88/30/491108830.db2.gz YKKYYLDDWGOPJE-VXGBXAGGSA-N 1 0 185.355 3.591 20 0 AHADRO CC(C)=CCC[NH2+][C@H](C)CCC(C)C ZINC000308508439 491109132 /nfs/dbraw/zinc/10/91/32/491109132.db2.gz JTGKJNUADKGVLW-CYBMUJFWSA-N 1 0 197.366 3.757 20 0 AHADRO CC(C)=CCC[NH2+][C@@H](C)CCC(C)C ZINC000308508440 491109074 /nfs/dbraw/zinc/10/90/74/491109074.db2.gz JTGKJNUADKGVLW-ZDUSSCGKSA-N 1 0 197.366 3.757 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000308509573 491109414 /nfs/dbraw/zinc/10/94/14/491109414.db2.gz KJQJZFPDRSLUIW-LLVKDONJSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000308509577 491109479 /nfs/dbraw/zinc/10/94/79/491109479.db2.gz KJQJZFPDRSLUIW-NSHDSACASA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000308511999 491109371 /nfs/dbraw/zinc/10/93/71/491109371.db2.gz LFBFJLMSWRXUKO-GRYCIOLGSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000308512000 491109491 /nfs/dbraw/zinc/10/94/91/491109491.db2.gz LFBFJLMSWRXUKO-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000308512001 491109422 /nfs/dbraw/zinc/10/94/22/491109422.db2.gz LFBFJLMSWRXUKO-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000308512003 491109512 /nfs/dbraw/zinc/10/95/12/491109512.db2.gz LFBFJLMSWRXUKO-WOPDTQHZSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H](C)CCC1CC1 ZINC000308512126 491109483 /nfs/dbraw/zinc/10/94/83/491109483.db2.gz LJTVNYXPDWWVTR-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H](C)CCC1CC1 ZINC000308512127 491109401 /nfs/dbraw/zinc/10/94/01/491109401.db2.gz LJTVNYXPDWWVTR-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H](C)CCC1CC1 ZINC000308512567 491109517 /nfs/dbraw/zinc/10/95/17/491109517.db2.gz LJTVNYXPDWWVTR-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H](C)CCC1CC1 ZINC000308512568 491109425 /nfs/dbraw/zinc/10/94/25/491109425.db2.gz LJTVNYXPDWWVTR-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000308516654 573194356 /nfs/dbraw/zinc/19/43/56/573194356.db2.gz MZLHOYQXSSOPEO-LLVKDONJSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000308516656 573193753 /nfs/dbraw/zinc/19/37/53/573193753.db2.gz MZLHOYQXSSOPEO-NSHDSACASA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)=CCC[NH2+]C[C@H](C)CC(C)C ZINC000308521451 491110128 /nfs/dbraw/zinc/11/01/28/491110128.db2.gz OWPUMIUPURMPDU-CYBMUJFWSA-N 1 0 197.366 3.615 20 0 AHADRO CC(C)=CCC[NH2+]C[C@@H](C)CC(C)C ZINC000308521452 491110052 /nfs/dbraw/zinc/11/00/52/491110052.db2.gz OWPUMIUPURMPDU-ZDUSSCGKSA-N 1 0 197.366 3.615 20 0 AHADRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000308521555 573242833 /nfs/dbraw/zinc/24/28/33/573242833.db2.gz HWIUILIIGBQCSH-GHMZBOCLSA-N 1 0 199.382 3.693 20 0 AHADRO C[C@H](C[NH2+][C@@H](C)C(C)(C)C)C(C)(C)C ZINC000308521556 573242680 /nfs/dbraw/zinc/24/26/80/573242680.db2.gz HWIUILIIGBQCSH-MNOVXSKESA-N 1 0 199.382 3.693 20 0 AHADRO C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)C(C)(C)C ZINC000308521557 573244232 /nfs/dbraw/zinc/24/42/32/573244232.db2.gz HWIUILIIGBQCSH-QWRGUYRKSA-N 1 0 199.382 3.693 20 0 AHADRO C[C@@H](C[NH2+][C@H](C)C(C)(C)C)C(C)(C)C ZINC000308521558 573243169 /nfs/dbraw/zinc/24/31/69/573243169.db2.gz HWIUILIIGBQCSH-WDEREUQCSA-N 1 0 199.382 3.693 20 0 AHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C(C)C ZINC000308523032 346310747 /nfs/dbraw/zinc/31/07/47/346310747.db2.gz PRBAZLQZGJUQDS-CYBMUJFWSA-N 1 0 197.366 3.757 20 0 AHADRO CC(C)=CCC[C@H](C)CC[NH2+]C(C)C ZINC000308523033 346310573 /nfs/dbraw/zinc/31/05/73/346310573.db2.gz PRBAZLQZGJUQDS-ZDUSSCGKSA-N 1 0 197.366 3.757 20 0 AHADRO CC(C)C[NH2+]CCC1=CCCCCC1 ZINC000308523041 491110384 /nfs/dbraw/zinc/11/03/84/491110384.db2.gz PRXCURQYNXYQBV-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CC(C)[C@@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000308523424 409734291 /nfs/dbraw/zinc/73/42/91/409734291.db2.gz VOBVLALCWCKUAL-LLVKDONJSA-N 1 0 199.382 3.693 20 0 AHADRO CC(C)[C@H](C)[NH2+]CC(C)(C)C(C)(C)C ZINC000308523425 409732883 /nfs/dbraw/zinc/73/28/83/409732883.db2.gz VOBVLALCWCKUAL-NSHDSACASA-N 1 0 199.382 3.693 20 0 AHADRO CC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000308525750 573234295 /nfs/dbraw/zinc/23/42/95/573234295.db2.gz PDKAJCXNKJDZLZ-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC000308525751 573233073 /nfs/dbraw/zinc/23/30/73/573233073.db2.gz PDKAJCXNKJDZLZ-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CC[NH2+]CC(C)(C)C(C)(C)C ZINC000308525997 573239505 /nfs/dbraw/zinc/23/95/05/573239505.db2.gz XHRVWEFVPQQTBX-UHFFFAOYSA-N 1 0 199.382 3.694 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@H]1CC[C@H]1C ZINC000308528905 573235271 /nfs/dbraw/zinc/23/52/71/573235271.db2.gz KBUKAVXYLYRNLT-AGIUHOORSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@H]1CC[C@@H]1C ZINC000308528908 573236065 /nfs/dbraw/zinc/23/60/65/573236065.db2.gz KBUKAVXYLYRNLT-AVGNSLFASA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CC[C@H]1C ZINC000308528912 630015379 /nfs/dbraw/zinc/01/53/79/630015379.db2.gz KBUKAVXYLYRNLT-FRRDWIJNSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)C[NH2+][C@@H]1CC[C@@H]1C ZINC000308528915 573238214 /nfs/dbraw/zinc/23/82/14/573238214.db2.gz KBUKAVXYLYRNLT-RWMBFGLXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000308530562 573252594 /nfs/dbraw/zinc/25/25/94/573252594.db2.gz RQFARTDRZJIFLL-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000308530563 573251905 /nfs/dbraw/zinc/25/19/05/573251905.db2.gz RQFARTDRZJIFLL-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000308530564 573252424 /nfs/dbraw/zinc/25/24/24/573252424.db2.gz RQFARTDRZJIFLL-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000308530565 573251925 /nfs/dbraw/zinc/25/19/25/573251925.db2.gz RQFARTDRZJIFLL-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000308532530 491110489 /nfs/dbraw/zinc/11/04/89/491110489.db2.gz RXSVYZVOKSWAED-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)CC1CCCCC1 ZINC000308532531 491110562 /nfs/dbraw/zinc/11/05/62/491110562.db2.gz RXSVYZVOKSWAED-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)=CCC[NH2+][C@@H]1CCCC1(C)C ZINC000308534765 491110552 /nfs/dbraw/zinc/11/05/52/491110552.db2.gz SGRPNVUSBSJBIK-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@H]1CCCC1(C)C ZINC000308534766 491110529 /nfs/dbraw/zinc/11/05/29/491110529.db2.gz SGRPNVUSBSJBIK-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)CCC[NH2+][C@H](C)CCC1CC1 ZINC000308536623 491110750 /nfs/dbraw/zinc/11/07/50/491110750.db2.gz SQVIKYHAOXKMHJ-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[NH2+][C@@H](C)CCC1CC1 ZINC000308536624 491110879 /nfs/dbraw/zinc/11/08/79/491110879.db2.gz SQVIKYHAOXKMHJ-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CC)[NH2+][C@H]1CCC1(C)C ZINC000308538269 573282155 /nfs/dbraw/zinc/28/21/55/573282155.db2.gz MXLYPOHCWOYASI-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@@H]1CCC1(C)C ZINC000308538272 630015216 /nfs/dbraw/zinc/01/52/16/630015216.db2.gz MXLYPOHCWOYASI-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@H]1CCC1(C)C ZINC000308538277 573282195 /nfs/dbraw/zinc/28/21/95/573282195.db2.gz MXLYPOHCWOYASI-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CC)[NH2+][C@@H]1CCC1(C)C ZINC000308538279 573285112 /nfs/dbraw/zinc/28/51/12/573285112.db2.gz MXLYPOHCWOYASI-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)C[NH2+][C@@H]1CC=C(C)CC1 ZINC000308538419 491110814 /nfs/dbraw/zinc/11/08/14/491110814.db2.gz UAENDAGXEATEBH-CYBMUJFWSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(CC)C[NH2+][C@H]1CC=C(C)CC1 ZINC000308538420 491110870 /nfs/dbraw/zinc/11/08/70/491110870.db2.gz UAENDAGXEATEBH-ZDUSSCGKSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)C[NH2+][C@H](C)CC1CCCCC1 ZINC000308543470 491111018 /nfs/dbraw/zinc/11/10/18/491111018.db2.gz VGAGVXFNKRKUGV-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C(C)(C)C[NH2+][C@H](C)C(C)(C)C ZINC000308547216 491111204 /nfs/dbraw/zinc/11/12/04/491111204.db2.gz WDEVEWDHPGAQOB-LLVKDONJSA-N 1 0 199.382 3.693 20 0 AHADRO CC(C)C(C)(C)C[NH2+][C@@H](C)C(C)(C)C ZINC000308547217 491111347 /nfs/dbraw/zinc/11/13/47/491111347.db2.gz WDEVEWDHPGAQOB-NSHDSACASA-N 1 0 199.382 3.693 20 0 AHADRO CCCC[C@@H](CC)[NH2+]CCC=C(C)C ZINC000308548778 491111343 /nfs/dbraw/zinc/11/13/43/491111343.db2.gz WNMZLZBTJGXTIS-CYBMUJFWSA-N 1 0 197.366 3.901 20 0 AHADRO CCCC[C@H](CC)[NH2+]CCC=C(C)C ZINC000308548781 491111355 /nfs/dbraw/zinc/11/13/55/491111355.db2.gz WNMZLZBTJGXTIS-ZDUSSCGKSA-N 1 0 197.366 3.901 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@H]1CC[C@H]1C ZINC000308550854 673933022 /nfs/dbraw/zinc/93/30/22/673933022.db2.gz RSZYTQVPDUDXGJ-AGIUHOORSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@H]1CC[C@@H]1C ZINC000308550856 573318391 /nfs/dbraw/zinc/31/83/91/573318391.db2.gz RSZYTQVPDUDXGJ-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CC[C@H]1C ZINC000308550858 573317768 /nfs/dbraw/zinc/31/77/68/573317768.db2.gz RSZYTQVPDUDXGJ-FRRDWIJNSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H]1C ZINC000308550859 630017457 /nfs/dbraw/zinc/01/74/57/630017457.db2.gz RSZYTQVPDUDXGJ-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CC1=CC[C@@H]([NH2+]CCCC(C)C)CC1 ZINC000308551785 491111222 /nfs/dbraw/zinc/11/12/22/491111222.db2.gz XSMOLLSXBGUOIT-CYBMUJFWSA-N 1 0 195.350 3.511 20 0 AHADRO CC1=CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC000308551790 491111342 /nfs/dbraw/zinc/11/13/42/491111342.db2.gz XSMOLLSXBGUOIT-ZDUSSCGKSA-N 1 0 195.350 3.511 20 0 AHADRO CCC1(CC)CCC([NH2+]C(C)C)CC1 ZINC000308554548 491111524 /nfs/dbraw/zinc/11/15/24/491111524.db2.gz YUYWKYLXJJJICP-UHFFFAOYSA-N 1 0 197.366 3.733 20 0 AHADRO C[C@H](C[NH2+]C1(C)CCCC1)C(C)(C)C ZINC000308566806 487204101 /nfs/dbraw/zinc/20/41/01/487204101.db2.gz YUYGIJFNTSXWNF-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H](C[NH2+]C1(C)CCCC1)C(C)(C)C ZINC000308566808 487203749 /nfs/dbraw/zinc/20/37/49/487203749.db2.gz YUYGIJFNTSXWNF-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)C[NH2+][C@@H](C)CCC1CC1 ZINC000308567697 491112175 /nfs/dbraw/zinc/11/21/75/491112175.db2.gz BDPYXKSGVDJLER-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)C[NH2+][C@H](C)CCC1CC1 ZINC000308567698 491112183 /nfs/dbraw/zinc/11/21/83/491112183.db2.gz BDPYXKSGVDJLER-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)C[NH2+][C@@H](C)CCC1CC1 ZINC000308567699 491112062 /nfs/dbraw/zinc/11/20/62/491112062.db2.gz BDPYXKSGVDJLER-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)C[NH2+][C@H](C)CCC1CC1 ZINC000308567700 491112092 /nfs/dbraw/zinc/11/20/92/491112092.db2.gz BDPYXKSGVDJLER-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000308569690 573395104 /nfs/dbraw/zinc/39/51/04/573395104.db2.gz JNSOKTHLSZCURJ-MROQNXINSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000308569691 573392357 /nfs/dbraw/zinc/39/23/57/573392357.db2.gz JNSOKTHLSZCURJ-WUHRBBMRSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000308569693 573395503 /nfs/dbraw/zinc/39/55/03/573395503.db2.gz JNSOKTHLSZCURJ-YVECIDJPSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000308569694 573393727 /nfs/dbraw/zinc/39/37/27/573393727.db2.gz JNSOKTHLSZCURJ-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000308576876 487204073 /nfs/dbraw/zinc/20/40/73/487204073.db2.gz HYGURZUHGXTQGV-AAEUAGOBSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000308576877 487203792 /nfs/dbraw/zinc/20/37/92/487203792.db2.gz HYGURZUHGXTQGV-DGCLKSJQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000308576878 487204008 /nfs/dbraw/zinc/20/40/08/487204008.db2.gz HYGURZUHGXTQGV-WCQYABFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000308576879 487204012 /nfs/dbraw/zinc/20/40/12/487204012.db2.gz HYGURZUHGXTQGV-YPMHNXCESA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CCC1CC1 ZINC000308580128 491112565 /nfs/dbraw/zinc/11/25/65/491112565.db2.gz GGZALHYGRZUCAF-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CCC1CC1 ZINC000308580130 491112486 /nfs/dbraw/zinc/11/24/86/491112486.db2.gz GGZALHYGRZUCAF-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+]CCC1CC1 ZINC000308580131 491112458 /nfs/dbraw/zinc/11/24/58/491112458.db2.gz GGZALHYGRZUCAF-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCC1CC1 ZINC000308580132 491112491 /nfs/dbraw/zinc/11/24/91/491112491.db2.gz GGZALHYGRZUCAF-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)(CC)[NH2+]CC1(C)CCC1 ZINC000308581857 491112783 /nfs/dbraw/zinc/11/27/83/491112783.db2.gz PQRUTRPDHBMXQX-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO C/C=C/C[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000308582513 491112774 /nfs/dbraw/zinc/11/27/74/491112774.db2.gz HDOMQZJUWYZQCB-DRKGASSASA-N 1 0 195.350 3.511 20 0 AHADRO C/C=C\C[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000308582514 491112771 /nfs/dbraw/zinc/11/27/71/491112771.db2.gz HDOMQZJUWYZQCB-FSMZVQOTSA-N 1 0 195.350 3.511 20 0 AHADRO C/C=C/C[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000308582515 491112651 /nfs/dbraw/zinc/11/26/51/491112651.db2.gz HDOMQZJUWYZQCB-LOWFTVKWSA-N 1 0 195.350 3.511 20 0 AHADRO C/C=C\C[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000308582516 491112737 /nfs/dbraw/zinc/11/27/37/491112737.db2.gz HDOMQZJUWYZQCB-NMTKSXOJSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+]C1CCC(C)CC1 ZINC000308582718 491112671 /nfs/dbraw/zinc/11/26/71/491112671.db2.gz QESQGZSGALYZME-UHFFFAOYSA-N 1 0 195.350 3.511 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1CC ZINC000308592342 573460037 /nfs/dbraw/zinc/46/00/37/573460037.db2.gz KUQXGJHCKBXRHO-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1CC ZINC000308592343 573459939 /nfs/dbraw/zinc/45/99/39/573459939.db2.gz KUQXGJHCKBXRHO-RWMBFGLXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H]1CC ZINC000308592344 573460712 /nfs/dbraw/zinc/46/07/12/573460712.db2.gz KUQXGJHCKBXRHO-XQQFMLRXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1CC ZINC000308592345 573463325 /nfs/dbraw/zinc/46/33/25/573463325.db2.gz KUQXGJHCKBXRHO-YNEHKIRRSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@@H]1CC ZINC000308594089 491113486 /nfs/dbraw/zinc/11/34/86/491113486.db2.gz LOEFEMGENVUIAQ-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@H]1CC ZINC000308594090 491113493 /nfs/dbraw/zinc/11/34/93/491113493.db2.gz LOEFEMGENVUIAQ-RVMXOQNASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1CC ZINC000308594091 491113519 /nfs/dbraw/zinc/11/35/19/491113519.db2.gz LOEFEMGENVUIAQ-WUHRBBMRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]1CC ZINC000308594092 491113510 /nfs/dbraw/zinc/11/35/10/491113510.db2.gz LOEFEMGENVUIAQ-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)CC[NH2+][C@H]1CCC[C@H]1C ZINC000308610617 487205339 /nfs/dbraw/zinc/20/53/39/487205339.db2.gz QOFCEPSLHLFONK-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000308610622 487205304 /nfs/dbraw/zinc/20/53/04/487205304.db2.gz QOFCEPSLHLFONK-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000308610626 487205596 /nfs/dbraw/zinc/20/55/96/487205596.db2.gz QOFCEPSLHLFONK-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000308610631 487205293 /nfs/dbraw/zinc/20/52/93/487205293.db2.gz QOFCEPSLHLFONK-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CCC=C(C)C ZINC000308610733 573511269 /nfs/dbraw/zinc/51/12/69/573511269.db2.gz QOMPBMPAZFWOCY-CYBMUJFWSA-N 1 0 197.366 3.901 20 0 AHADRO CCCCC[C@H](C)[NH2+]CCC=C(C)C ZINC000308610741 573510129 /nfs/dbraw/zinc/51/01/29/573510129.db2.gz QOMPBMPAZFWOCY-ZDUSSCGKSA-N 1 0 197.366 3.901 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@@H]1CC=C(C)CC1 ZINC000308614689 491114420 /nfs/dbraw/zinc/11/44/20/491114420.db2.gz RLGHKYAGLUWWDX-CHWSQXEVSA-N 1 0 195.350 3.654 20 0 AHADRO CCC[C@@H](CC)[NH2+][C@H]1CC=C(C)CC1 ZINC000308614691 491114426 /nfs/dbraw/zinc/11/44/26/491114426.db2.gz RLGHKYAGLUWWDX-OLZOCXBDSA-N 1 0 195.350 3.654 20 0 AHADRO CCC[C@H](CC)[NH2+][C@@H]1CC=C(C)CC1 ZINC000308614692 491114409 /nfs/dbraw/zinc/11/44/09/491114409.db2.gz RLGHKYAGLUWWDX-QWHCGFSZSA-N 1 0 195.350 3.654 20 0 AHADRO CCC[C@H](CC)[NH2+][C@H]1CC=C(C)CC1 ZINC000308614694 491114429 /nfs/dbraw/zinc/11/44/29/491114429.db2.gz RLGHKYAGLUWWDX-STQMWFEESA-N 1 0 195.350 3.654 20 0 AHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1CCC1 ZINC000308618377 491114400 /nfs/dbraw/zinc/11/44/00/491114400.db2.gz SHWHAYIMBXAQLY-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1CCC1 ZINC000308618378 491114431 /nfs/dbraw/zinc/11/44/31/491114431.db2.gz SHWHAYIMBXAQLY-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1CCC1 ZINC000308618379 491114459 /nfs/dbraw/zinc/11/44/59/491114459.db2.gz SHWHAYIMBXAQLY-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1CCC1 ZINC000308618380 491114513 /nfs/dbraw/zinc/11/45/13/491114513.db2.gz SHWHAYIMBXAQLY-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H]([NH2+][C@@H](C)CC)C1CCC1 ZINC000308624091 487205581 /nfs/dbraw/zinc/20/55/81/487205581.db2.gz VGQVZFAVYXJKHX-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H]([NH2+][C@H](C)CC)C1CCC1 ZINC000308624092 487205240 /nfs/dbraw/zinc/20/52/40/487205240.db2.gz VGQVZFAVYXJKHX-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H]([NH2+][C@@H](C)CC)C1CCC1 ZINC000308624093 487205604 /nfs/dbraw/zinc/20/56/04/487205604.db2.gz VGQVZFAVYXJKHX-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H]([NH2+][C@H](C)CC)C1CCC1 ZINC000308624094 487205189 /nfs/dbraw/zinc/20/51/89/487205189.db2.gz VGQVZFAVYXJKHX-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[NH2+][C@H](CCCC)C1CCC1 ZINC000308624140 491114778 /nfs/dbraw/zinc/11/47/78/491114778.db2.gz VIDGUHPDEGFRFV-CYBMUJFWSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[NH2+][C@@H](CCCC)C1CCC1 ZINC000308624144 491114775 /nfs/dbraw/zinc/11/47/75/491114775.db2.gz VIDGUHPDEGFRFV-ZDUSSCGKSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)CCC(C)C ZINC000308624575 491114871 /nfs/dbraw/zinc/11/48/71/491114871.db2.gz VLWHJTGMRGOYPD-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)CCC(C)C ZINC000308624576 491114792 /nfs/dbraw/zinc/11/47/92/491114792.db2.gz VLWHJTGMRGOYPD-UPJWGTAASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)CCC(C)C ZINC000308624578 491114802 /nfs/dbraw/zinc/11/48/02/491114802.db2.gz VLWHJTGMRGOYPD-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)CCC(C)C ZINC000308624579 491114730 /nfs/dbraw/zinc/11/47/30/491114730.db2.gz VLWHJTGMRGOYPD-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000308631497 573588757 /nfs/dbraw/zinc/58/87/57/573588757.db2.gz ZDBRQZVTMPBLFD-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCCC[C@H](C)[NH2+]CCC1(C)CC1 ZINC000308631498 573591310 /nfs/dbraw/zinc/59/13/10/573591310.db2.gz ZDBRQZVTMPBLFD-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H]1CC=C(C)CC1 ZINC000308631576 491115189 /nfs/dbraw/zinc/11/51/89/491115189.db2.gz ZESXBVQJXFENPC-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(C)(C)C[NH2+][C@H]1CC=C(C)CC1 ZINC000308631577 491115227 /nfs/dbraw/zinc/11/52/27/491115227.db2.gz ZESXBVQJXFENPC-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO C[C@@H]([NH2+]CCCCC(C)(C)C)C1CC1 ZINC000308633617 491115171 /nfs/dbraw/zinc/11/51/71/491115171.db2.gz BUVKTXPQRQFSFL-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]([NH2+]CCCCC(C)(C)C)C1CC1 ZINC000308633623 491115212 /nfs/dbraw/zinc/11/52/12/491115212.db2.gz BUVKTXPQRQFSFL-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]CCC1CC1 ZINC000308634560 491115261 /nfs/dbraw/zinc/11/52/61/491115261.db2.gz BYHKULCURABOIB-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]CCC1CC1 ZINC000308634563 491115274 /nfs/dbraw/zinc/11/52/74/491115274.db2.gz BYHKULCURABOIB-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1CCC1 ZINC000308636982 491115330 /nfs/dbraw/zinc/11/53/30/491115330.db2.gz CQCPXFSFCYCWFY-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1CCC1 ZINC000308636983 491115378 /nfs/dbraw/zinc/11/53/78/491115378.db2.gz CQCPXFSFCYCWFY-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C1CCC1 ZINC000308636984 491115456 /nfs/dbraw/zinc/11/54/56/491115456.db2.gz CQCPXFSFCYCWFY-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1CCC1 ZINC000308636986 491115373 /nfs/dbraw/zinc/11/53/73/491115373.db2.gz CQCPXFSFCYCWFY-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000308645139 491115842 /nfs/dbraw/zinc/11/58/42/491115842.db2.gz HBZSJYBLUSUAFO-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000308645140 491115893 /nfs/dbraw/zinc/11/58/93/491115893.db2.gz HBZSJYBLUSUAFO-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000308645141 491115886 /nfs/dbraw/zinc/11/58/86/491115886.db2.gz HBZSJYBLUSUAFO-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000308645142 491115896 /nfs/dbraw/zinc/11/58/96/491115896.db2.gz HBZSJYBLUSUAFO-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]CC=C(C)C ZINC000308651743 491116145 /nfs/dbraw/zinc/11/61/45/491116145.db2.gz KYWCGOXTHDVUTO-CYBMUJFWSA-N 1 0 195.350 3.677 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]CC=C(C)C ZINC000308651744 491116199 /nfs/dbraw/zinc/11/61/99/491116199.db2.gz KYWCGOXTHDVUTO-ZDUSSCGKSA-N 1 0 195.350 3.677 20 0 AHADRO CC(C)=CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000308653299 487206247 /nfs/dbraw/zinc/20/62/47/487206247.db2.gz MIMWXJYKZJKYLB-GFCCVEGCSA-N 1 0 197.366 3.615 20 0 AHADRO CC(C)=CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000308653300 487206325 /nfs/dbraw/zinc/20/63/25/487206325.db2.gz MIMWXJYKZJKYLB-LBPRGKRZSA-N 1 0 197.366 3.615 20 0 AHADRO CC(C)=CCC[C@@H](C)CC[NH2+]C1CC1 ZINC000308654669 346317712 /nfs/dbraw/zinc/31/77/12/346317712.db2.gz NJEFVAUFYPJUHB-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@H](C)CC[NH2+]C1CC1 ZINC000308654670 346317547 /nfs/dbraw/zinc/31/75/47/346317547.db2.gz NJEFVAUFYPJUHB-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000308662907 491116559 /nfs/dbraw/zinc/11/65/59/491116559.db2.gz QZCNRBPKMGCJRN-AGIUHOORSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000308662909 491116473 /nfs/dbraw/zinc/11/64/73/491116473.db2.gz QZCNRBPKMGCJRN-AVGNSLFASA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000308662910 491116463 /nfs/dbraw/zinc/11/64/63/491116463.db2.gz QZCNRBPKMGCJRN-FRRDWIJNSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000308662912 491116460 /nfs/dbraw/zinc/11/64/60/491116460.db2.gz QZCNRBPKMGCJRN-RWMBFGLXSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[NH2+][C@H](C)C1CCCC1 ZINC000308665194 487207218 /nfs/dbraw/zinc/20/72/18/487207218.db2.gz SCPLROTXZJXNRA-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@@H](C)C1CCCC1 ZINC000308665195 487206594 /nfs/dbraw/zinc/20/65/94/487206594.db2.gz SCPLROTXZJXNRA-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO C[C@H](CCC1CC1)[NH2+][C@H](C)C(C)(C)C ZINC000308669230 409751307 /nfs/dbraw/zinc/75/13/07/409751307.db2.gz URAGVIOUGPZUEP-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)C(C)(C)C ZINC000308669252 409750518 /nfs/dbraw/zinc/75/05/18/409750518.db2.gz URAGVIOUGPZUEP-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C)CC1 ZINC000308676356 491117119 /nfs/dbraw/zinc/11/71/19/491117119.db2.gz WJJKAEDMXVZDNB-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]CC1(C)CC1 ZINC000308676358 491117150 /nfs/dbraw/zinc/11/71/50/491117150.db2.gz WJJKAEDMXVZDNB-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC000308719125 491117851 /nfs/dbraw/zinc/11/78/51/491117851.db2.gz CKUIDMQMQORFSD-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC000308719126 491117769 /nfs/dbraw/zinc/11/77/69/491117769.db2.gz CKUIDMQMQORFSD-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CCC[C@H]1[NH2+]CCC=C(C)C ZINC000308724056 491118114 /nfs/dbraw/zinc/11/81/14/491118114.db2.gz FSNNPJJGPXPYJP-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC=C(C)C ZINC000308724059 491118092 /nfs/dbraw/zinc/11/80/92/491118092.db2.gz FSNNPJJGPXPYJP-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H]1CCC[C@H]1[NH2+]CCC=C(C)C ZINC000308724062 491118062 /nfs/dbraw/zinc/11/80/62/491118062.db2.gz FSNNPJJGPXPYJP-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H]1CCC[C@@H]1[NH2+]CCC=C(C)C ZINC000308724066 491118030 /nfs/dbraw/zinc/11/80/30/491118030.db2.gz FSNNPJJGPXPYJP-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1CCC1 ZINC000308724144 491118053 /nfs/dbraw/zinc/11/80/53/491118053.db2.gz FUDQUPMHHGHFGG-AAEUAGOBSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1CCC1 ZINC000308724148 491118058 /nfs/dbraw/zinc/11/80/58/491118058.db2.gz FUDQUPMHHGHFGG-DGCLKSJQSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1CCC1 ZINC000308724151 491118035 /nfs/dbraw/zinc/11/80/35/491118035.db2.gz FUDQUPMHHGHFGG-WCQYABFASA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1CCC1 ZINC000308724154 491118129 /nfs/dbraw/zinc/11/81/29/491118129.db2.gz FUDQUPMHHGHFGG-YPMHNXCESA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CC=CC1 ZINC000308735255 491118457 /nfs/dbraw/zinc/11/84/57/491118457.db2.gz KYUXIPIHPXPJAG-AAEUAGOBSA-N 1 0 195.350 3.509 20 0 AHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC=CC1 ZINC000308735257 491118426 /nfs/dbraw/zinc/11/84/26/491118426.db2.gz KYUXIPIHPXPJAG-DGCLKSJQSA-N 1 0 195.350 3.509 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CC=CC1 ZINC000308735261 491118394 /nfs/dbraw/zinc/11/83/94/491118394.db2.gz KYUXIPIHPXPJAG-WCQYABFASA-N 1 0 195.350 3.509 20 0 AHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CC=CC1 ZINC000308735264 491118369 /nfs/dbraw/zinc/11/83/69/491118369.db2.gz KYUXIPIHPXPJAG-YPMHNXCESA-N 1 0 195.350 3.509 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CC(C)C1 ZINC000308737119 491118446 /nfs/dbraw/zinc/11/84/46/491118446.db2.gz MAIJGIAVHVEMNR-CMOBGSAGSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CC(C)C1 ZINC000308737122 491118398 /nfs/dbraw/zinc/11/83/98/491118398.db2.gz MAIJGIAVHVEMNR-QBHFIFKDSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC(C)C1 ZINC000308737125 491118373 /nfs/dbraw/zinc/11/83/73/491118373.db2.gz MAIJGIAVHVEMNR-QZQSVVMZSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1CC(C)C1 ZINC000308737128 491118356 /nfs/dbraw/zinc/11/83/56/491118356.db2.gz MAIJGIAVHVEMNR-ZFQMDJOTSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@@H]([NH2+]C1CC1)C(C)(C)C ZINC000308738069 573783072 /nfs/dbraw/zinc/78/30/72/573783072.db2.gz MUAWZNIKIWUPHJ-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H]([NH2+]C1CC1)C(C)(C)C ZINC000308738070 573784197 /nfs/dbraw/zinc/78/41/97/573784197.db2.gz MUAWZNIKIWUPHJ-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CC=CC1 ZINC000308745867 491118817 /nfs/dbraw/zinc/11/88/17/491118817.db2.gz RDQGRRSBCZHFAQ-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CC=CC1 ZINC000308745868 491118801 /nfs/dbraw/zinc/11/88/01/491118801.db2.gz RDQGRRSBCZHFAQ-NWDGAFQWSA-N 1 0 195.350 3.509 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1CC=CC1 ZINC000308745869 491118783 /nfs/dbraw/zinc/11/87/83/491118783.db2.gz RDQGRRSBCZHFAQ-RYUDHWBXSA-N 1 0 195.350 3.509 20 0 AHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC=CC1 ZINC000308745870 491118780 /nfs/dbraw/zinc/11/87/80/491118780.db2.gz RDQGRRSBCZHFAQ-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000308756099 409754304 /nfs/dbraw/zinc/75/43/04/409754304.db2.gz MQJDNXNXXUVRMO-LLVKDONJSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H](C)[NH2+]CC(C)(C)C1=CCCC1 ZINC000308756100 409754103 /nfs/dbraw/zinc/75/41/03/409754103.db2.gz MQJDNXNXXUVRMO-NSHDSACASA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)(C)C(C)(C)C[NH2+]C1CCCC1 ZINC000308763958 409754522 /nfs/dbraw/zinc/75/45/22/409754522.db2.gz ZJYFPKYDCUWVGN-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+]CCC(C)(C)C1CC1 ZINC000328561065 375481894 /nfs/dbraw/zinc/48/18/94/375481894.db2.gz GELGNPVMYPNLNN-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(C)C)CC1 ZINC000378675494 487234660 /nfs/dbraw/zinc/23/46/60/487234660.db2.gz OOFIEEKDMCFOOO-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]1CC[C@H]([NH2+][C@H](C)C(C)C)CC1 ZINC000378675495 487234624 /nfs/dbraw/zinc/23/46/24/487234624.db2.gz OOFIEEKDMCFOOO-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(CCC)[NH2+]C1(C(C)C)CC1 ZINC000378775285 409800846 /nfs/dbraw/zinc/80/08/46/409800846.db2.gz DWCBOGYLMROLDB-UHFFFAOYSA-N 1 0 197.366 3.733 20 0 AHADRO CCC(CC)[NH2+][C@H]1CC[C@H](CC)CC1 ZINC000378857642 409805199 /nfs/dbraw/zinc/80/51/99/409805199.db2.gz LTEXBNBPLHAAMS-AULYBMBSSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378860724 697791054 /nfs/dbraw/zinc/79/10/54/697791054.db2.gz PLRRUFGUSQJKTQ-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000378860725 697791039 /nfs/dbraw/zinc/79/10/39/697791039.db2.gz PLRRUFGUSQJKTQ-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000378860800 409808643 /nfs/dbraw/zinc/80/86/43/409808643.db2.gz PQVDZWDAGYFKIR-UNXYVOJBSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000378860801 409809365 /nfs/dbraw/zinc/80/93/65/409809365.db2.gz PQVDZWDAGYFKIR-VOMCLLRMSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@H]1CC[C@H](CC)CC1 ZINC000378865555 409809548 /nfs/dbraw/zinc/80/95/48/409809548.db2.gz ZPXRNOUESZGXBA-AVGNSLFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H]1CC[C@H](CC)CC1 ZINC000378865556 409808954 /nfs/dbraw/zinc/80/89/54/409808954.db2.gz ZPXRNOUESZGXBA-JHJVBQTASA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CC)[NH2+]C1(C(C)C)CC1 ZINC000378871235 409811925 /nfs/dbraw/zinc/81/19/25/409811925.db2.gz OEDKUGYOOYABDC-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+]C1(C(C)C)CC1 ZINC000378871236 409813773 /nfs/dbraw/zinc/81/37/73/409813773.db2.gz OEDKUGYOOYABDC-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+]CCC=C(C)C ZINC000379357622 538359719 /nfs/dbraw/zinc/35/97/19/538359719.db2.gz RZNAFSCSIPXUQZ-GFCCVEGCSA-N 1 0 183.339 3.511 20 0 AHADRO CCCC[C@H](C)[NH2+]CCC=C(C)C ZINC000379357623 538360689 /nfs/dbraw/zinc/36/06/89/538360689.db2.gz RZNAFSCSIPXUQZ-LBPRGKRZSA-N 1 0 183.339 3.511 20 0 AHADRO CCCCC[N@H+](CC)[C@H](C)C(C)C ZINC000379361126 346507016 /nfs/dbraw/zinc/50/70/16/346507016.db2.gz DLXIHAGIVIVHLD-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCCCC[N@H+](CC)[C@@H](C)C(C)C ZINC000379361127 346506820 /nfs/dbraw/zinc/50/68/20/346506820.db2.gz DLXIHAGIVIVHLD-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000379371964 630238451 /nfs/dbraw/zinc/23/84/51/630238451.db2.gz USZAAQCBLBZEPC-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000379371965 541338298 /nfs/dbraw/zinc/33/82/98/541338298.db2.gz USZAAQCBLBZEPC-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCC[C@H](C)[N@H+](CC)C[C@H](C)CC ZINC000379372371 487240552 /nfs/dbraw/zinc/24/05/52/487240552.db2.gz JJRAYDMVFRXYTJ-NEPJUHHUSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000379372372 487240194 /nfs/dbraw/zinc/24/01/94/487240194.db2.gz JJRAYDMVFRXYTJ-NWDGAFQWSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000379372373 487240626 /nfs/dbraw/zinc/24/06/26/487240626.db2.gz JJRAYDMVFRXYTJ-RYUDHWBXSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC000379372374 487240578 /nfs/dbraw/zinc/24/05/78/487240578.db2.gz JJRAYDMVFRXYTJ-VXGBXAGGSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[N@H+](C)CCC(C)(C)CC ZINC000379385713 346512152 /nfs/dbraw/zinc/51/21/52/346512152.db2.gz VAWFHFPAALZPKU-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[N@H+](CC)[C@H](C)CC(C)C ZINC000379388073 538380978 /nfs/dbraw/zinc/38/09/78/538380978.db2.gz IUDKIUPAPMDMFA-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[N@H+](CC)[C@@H](C)CC(C)C ZINC000379388074 538380509 /nfs/dbraw/zinc/38/05/09/538380509.db2.gz IUDKIUPAPMDMFA-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CC[C@@H](C)[N@H+](C)CCCC(C)(C)C ZINC000379394825 538386239 /nfs/dbraw/zinc/38/62/39/538386239.db2.gz YFJIWRYHTKDBEW-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CC[C@H](C)[N@H+](C)CCCC(C)(C)C ZINC000379394826 538387008 /nfs/dbraw/zinc/38/70/08/538387008.db2.gz YFJIWRYHTKDBEW-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@@H](CC)[NH2+]CCC=C(C)C ZINC000379419316 538411768 /nfs/dbraw/zinc/41/17/68/538411768.db2.gz XWNZTUQBCIYVPY-GFCCVEGCSA-N 1 0 183.339 3.511 20 0 AHADRO CCC[C@H](CC)[NH2+]CCC=C(C)C ZINC000379419317 538410325 /nfs/dbraw/zinc/41/03/25/538410325.db2.gz XWNZTUQBCIYVPY-LBPRGKRZSA-N 1 0 183.339 3.511 20 0 AHADRO CCC1([NH2+]C[C@@H](C)C(C)(C)C)CCC1 ZINC000379484131 538411476 /nfs/dbraw/zinc/41/14/76/538411476.db2.gz CXGXTXMSYKDYLT-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC1([NH2+]C[C@H](C)C(C)(C)C)CCC1 ZINC000379484132 538411794 /nfs/dbraw/zinc/41/17/94/538411794.db2.gz CXGXTXMSYKDYLT-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+]CC1CCC1 ZINC000379496723 538412051 /nfs/dbraw/zinc/41/20/51/538412051.db2.gz AZSMWBDAMVJHIQ-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC1CCC1 ZINC000379496725 538410331 /nfs/dbraw/zinc/41/03/31/538410331.db2.gz AZSMWBDAMVJHIQ-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CC=CC1 ZINC000379500575 538413184 /nfs/dbraw/zinc/41/31/84/538413184.db2.gz JANFVRJZGLKMRC-LLVKDONJSA-N 1 0 195.350 3.509 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CC=CC1 ZINC000379500576 538413822 /nfs/dbraw/zinc/41/38/22/538413822.db2.gz JANFVRJZGLKMRC-NSHDSACASA-N 1 0 195.350 3.509 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1CC(C)C1 ZINC000379504949 538412657 /nfs/dbraw/zinc/41/26/57/538412657.db2.gz RGJLNTOJLJLQNF-CXQJBGSLSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+]C1CC(C)C1 ZINC000379504950 538413582 /nfs/dbraw/zinc/41/35/82/538413582.db2.gz RGJLNTOJLJLQNF-MOENNCHZSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000379506716 538413533 /nfs/dbraw/zinc/41/35/33/538413533.db2.gz QWVFIFSUMGNDDZ-AGIUHOORSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000379506717 538413458 /nfs/dbraw/zinc/41/34/58/538413458.db2.gz QWVFIFSUMGNDDZ-AVGNSLFASA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000379506719 538412524 /nfs/dbraw/zinc/41/25/24/538412524.db2.gz QWVFIFSUMGNDDZ-FRRDWIJNSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000379506720 538412740 /nfs/dbraw/zinc/41/27/40/538412740.db2.gz QWVFIFSUMGNDDZ-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)(C)CCC[NH2+][C@@H]1CCC1(C)C ZINC000379516306 538413237 /nfs/dbraw/zinc/41/32/37/538413237.db2.gz AHVDRWWTCKDGBC-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)(C)CCC[NH2+][C@H]1CCC1(C)C ZINC000379516307 538413522 /nfs/dbraw/zinc/41/35/22/538413522.db2.gz AHVDRWWTCKDGBC-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@H]1C ZINC000379538552 538413232 /nfs/dbraw/zinc/41/32/32/538413232.db2.gz NFGWTMMUAAIYKH-IJLUTSLNSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@@H]1C ZINC000379538556 538414062 /nfs/dbraw/zinc/41/40/62/538414062.db2.gz NFGWTMMUAAIYKH-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@@H]1C ZINC000379538557 538412826 /nfs/dbraw/zinc/41/28/26/538412826.db2.gz NFGWTMMUAAIYKH-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@H]1C ZINC000379538558 538413474 /nfs/dbraw/zinc/41/34/74/538413474.db2.gz NFGWTMMUAAIYKH-UTUOFQBUSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000379539946 538413341 /nfs/dbraw/zinc/41/33/41/538413341.db2.gz OFSRGTLWOAFXFS-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000379539947 538413987 /nfs/dbraw/zinc/41/39/87/538413987.db2.gz OFSRGTLWOAFXFS-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000379539948 538412603 /nfs/dbraw/zinc/41/26/03/538412603.db2.gz OFSRGTLWOAFXFS-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000379539949 538412968 /nfs/dbraw/zinc/41/29/68/538412968.db2.gz OFSRGTLWOAFXFS-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000379543061 538413209 /nfs/dbraw/zinc/41/32/09/538413209.db2.gz RXSVYZVOKSWAED-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)CC1CCCCC1 ZINC000379543062 538413807 /nfs/dbraw/zinc/41/38/07/538413807.db2.gz RXSVYZVOKSWAED-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000379543752 538412635 /nfs/dbraw/zinc/41/26/35/538412635.db2.gz SYIQMMCQPSEYJV-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000379543753 538413481 /nfs/dbraw/zinc/41/34/81/538413481.db2.gz SYIQMMCQPSEYJV-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000379543754 538413678 /nfs/dbraw/zinc/41/36/78/538413678.db2.gz SYIQMMCQPSEYJV-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000379543755 538412833 /nfs/dbraw/zinc/41/28/33/538412833.db2.gz SYIQMMCQPSEYJV-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC(CCC)[NH2+]CCC=C(C)C ZINC000379566990 538415767 /nfs/dbraw/zinc/41/57/67/538415767.db2.gz DCNSZOMMYFVUNY-UHFFFAOYSA-N 1 0 197.366 3.901 20 0 AHADRO CC[C@H](C)[NH2+]C1CCC(C)(CC)CC1 ZINC000379571821 538417277 /nfs/dbraw/zinc/41/72/77/538417277.db2.gz HPPKHTRPDNDAAZ-HIFPTAJRSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)[NH2+]C1CCC(C)(CC)CC1 ZINC000379571822 538417288 /nfs/dbraw/zinc/41/72/88/538417288.db2.gz HPPKHTRPDNDAAZ-PNESKVBLSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)CC[C@@H]([NH2+]C1CC1)C(C)(C)C ZINC000379571964 538416388 /nfs/dbraw/zinc/41/63/88/538416388.db2.gz GBABPDZSBCXMHE-GFCCVEGCSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H]([NH2+]C1CC1)C(C)(C)C ZINC000379571965 538416732 /nfs/dbraw/zinc/41/67/32/538416732.db2.gz GBABPDZSBCXMHE-LBPRGKRZSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCCC[NH2+][C@@H]1CCC1(C)C ZINC000379572329 697900274 /nfs/dbraw/zinc/90/02/74/697900274.db2.gz HZBQALOZSNGRDE-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+][C@H]1CCC1(C)C ZINC000379572331 697900415 /nfs/dbraw/zinc/90/04/15/697900415.db2.gz HZBQALOZSNGRDE-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000379575330 538416223 /nfs/dbraw/zinc/41/62/23/538416223.db2.gz LXVVTTWHXIEVCM-CHWSQXEVSA-N 1 0 197.366 3.900 20 0 AHADRO CCC[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000379575332 538416053 /nfs/dbraw/zinc/41/60/53/538416053.db2.gz LXVVTTWHXIEVCM-OLZOCXBDSA-N 1 0 197.366 3.900 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](C)CCC=C(C)C ZINC000379575333 538416550 /nfs/dbraw/zinc/41/65/50/538416550.db2.gz LXVVTTWHXIEVCM-QWHCGFSZSA-N 1 0 197.366 3.900 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](C)CCC=C(C)C ZINC000379575335 538417143 /nfs/dbraw/zinc/41/71/43/538417143.db2.gz LXVVTTWHXIEVCM-STQMWFEESA-N 1 0 197.366 3.900 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000379576261 538416229 /nfs/dbraw/zinc/41/62/29/538416229.db2.gz NLWQCVXGYSDJKM-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CC[C@H](C)[NH2+]CCC1(C)CC1 ZINC000379576263 538416536 /nfs/dbraw/zinc/41/65/36/538416536.db2.gz NLWQCVXGYSDJKM-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000379578821 697901534 /nfs/dbraw/zinc/90/15/34/697901534.db2.gz VGDVWWSAHWYUIX-CYBMUJFWSA-N 1 0 195.350 3.655 20 0 AHADRO CCCCCC[NH2+][C@H]1CC=C(C)CC1 ZINC000379578822 697901242 /nfs/dbraw/zinc/90/12/42/697901242.db2.gz VGDVWWSAHWYUIX-ZDUSSCGKSA-N 1 0 195.350 3.655 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[C@@H]1C ZINC000379580866 538417627 /nfs/dbraw/zinc/41/76/27/538417627.db2.gz ZWMJGWSBVVPCBX-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[C@H]1C ZINC000379580867 538418204 /nfs/dbraw/zinc/41/82/04/538418204.db2.gz ZWMJGWSBVVPCBX-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC[C@H]1C ZINC000379580868 538418241 /nfs/dbraw/zinc/41/82/41/538418241.db2.gz ZWMJGWSBVVPCBX-RNJOBUHISA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C ZINC000379580869 538418842 /nfs/dbraw/zinc/41/88/42/538418842.db2.gz ZWMJGWSBVVPCBX-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)C[NH2+]CC1(C)CCCC1 ZINC000379592420 697903165 /nfs/dbraw/zinc/90/31/65/697903165.db2.gz YSOULEGPGUAYTC-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CCCC[C@@H](CC)[NH2+]CCC1(C)CC1 ZINC000379593050 538421050 /nfs/dbraw/zinc/42/10/50/538421050.db2.gz AUURQEDPQHRCIY-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[C@H](CC)[NH2+]CCC1(C)CC1 ZINC000379593051 538420071 /nfs/dbraw/zinc/42/00/71/538420071.db2.gz AUURQEDPQHRCIY-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(CC)(CC)C[NH2+]CC1(C)CC1 ZINC000379594093 538419388 /nfs/dbraw/zinc/41/93/88/538419388.db2.gz CIEPNTYIJAQGQF-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(C)CC1 ZINC000379595146 538420688 /nfs/dbraw/zinc/42/06/88/538420688.db2.gz DHWCQMWAAPHNGQ-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(C)CC1 ZINC000379595148 538420025 /nfs/dbraw/zinc/42/00/25/538420025.db2.gz DHWCQMWAAPHNGQ-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(C)CC1 ZINC000379595149 538420318 /nfs/dbraw/zinc/42/03/18/538420318.db2.gz DHWCQMWAAPHNGQ-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(C)CC1 ZINC000379595150 538419723 /nfs/dbraw/zinc/41/97/23/538419723.db2.gz DHWCQMWAAPHNGQ-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+]C1CC=CC1 ZINC000379599637 538421768 /nfs/dbraw/zinc/42/17/68/538421768.db2.gz JXPRNNMUBWGIPP-GFCCVEGCSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+]C1CC=CC1 ZINC000379599638 538422068 /nfs/dbraw/zinc/42/20/68/538422068.db2.gz JXPRNNMUBWGIPP-LBPRGKRZSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)C(C)(C)[NH2+]CC1CCCCC1 ZINC000379607546 346527230 /nfs/dbraw/zinc/52/72/30/346527230.db2.gz REDOYJHRXCPCAZ-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000379610928 538423189 /nfs/dbraw/zinc/42/31/89/538423189.db2.gz UCSPQXXKLSXNHD-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000379610929 538422695 /nfs/dbraw/zinc/42/26/95/538422695.db2.gz UCSPQXXKLSXNHD-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000379610930 538423265 /nfs/dbraw/zinc/42/32/65/538423265.db2.gz UCSPQXXKLSXNHD-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000379610931 538423195 /nfs/dbraw/zinc/42/31/95/538423195.db2.gz UCSPQXXKLSXNHD-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC/C=C/CC[NH2+]C(C(C)C)C(C)C ZINC000379611941 538424117 /nfs/dbraw/zinc/42/41/17/538424117.db2.gz UZSUYFNAEVZBTQ-BQYQJAHWSA-N 1 0 197.366 3.613 20 0 AHADRO CC/C=C\CC[NH2+]C(C(C)C)C(C)C ZINC000379611947 538424047 /nfs/dbraw/zinc/42/40/47/538424047.db2.gz UZSUYFNAEVZBTQ-FPLPWBNLSA-N 1 0 197.366 3.613 20 0 AHADRO CC(C)C[NH2+][C@@H](C)CC1CCCCC1 ZINC000379612152 538422966 /nfs/dbraw/zinc/42/29/66/538422966.db2.gz VGAGVXFNKRKUGV-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+]C1CC(C)(C)C1 ZINC000379615604 697905168 /nfs/dbraw/zinc/90/51/68/697905168.db2.gz YTMXTIFVKGYOAA-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CC[C@H]([NH2+]CC(C)(C)C)CC1 ZINC000379620455 409860878 /nfs/dbraw/zinc/86/08/78/409860878.db2.gz DRGUIVYCVBASKJ-HAQNSBGRSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)C ZINC000379620847 538423119 /nfs/dbraw/zinc/42/31/19/538423119.db2.gz FDGDGMOELHZZHW-GFCCVEGCSA-N 1 0 197.366 3.757 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)C ZINC000379620848 538423975 /nfs/dbraw/zinc/42/39/75/538423975.db2.gz FDGDGMOELHZZHW-LBPRGKRZSA-N 1 0 197.366 3.757 20 0 AHADRO CCCC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000379622771 538424594 /nfs/dbraw/zinc/42/45/94/538424594.db2.gz HJQAEIFFDFZALZ-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC000379622773 538425342 /nfs/dbraw/zinc/42/53/42/538425342.db2.gz HJQAEIFFDFZALZ-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)=CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000379626986 538424875 /nfs/dbraw/zinc/42/48/75/538424875.db2.gz KTZYQFCHOKQPDI-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000379626987 538424891 /nfs/dbraw/zinc/42/48/91/538424891.db2.gz KTZYQFCHOKQPDI-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@H](C)CC1CCCC1 ZINC000379629695 538424967 /nfs/dbraw/zinc/42/49/67/538424967.db2.gz MGLIYOPURLIUMC-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CC[NH2+][C@@H](C)CC1CCCC1 ZINC000379629697 538425252 /nfs/dbraw/zinc/42/52/52/538425252.db2.gz MGLIYOPURLIUMC-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000379632454 409861228 /nfs/dbraw/zinc/86/12/28/409861228.db2.gz OWEHUJJKDSAMGN-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000379632457 409859321 /nfs/dbraw/zinc/85/93/21/409859321.db2.gz OWEHUJJKDSAMGN-NWDGAFQWSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000379632458 409859169 /nfs/dbraw/zinc/85/91/69/409859169.db2.gz OWEHUJJKDSAMGN-RYUDHWBXSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000379632461 409859302 /nfs/dbraw/zinc/85/93/02/409859302.db2.gz OWEHUJJKDSAMGN-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000379633000 538424407 /nfs/dbraw/zinc/42/44/07/538424407.db2.gz PIYYSWJNUKQDMQ-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@H]1CCCC[C@H]1C ZINC000379633001 538424942 /nfs/dbraw/zinc/42/49/42/538424942.db2.gz PIYYSWJNUKQDMQ-OLZOCXBDSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000379633002 538425093 /nfs/dbraw/zinc/42/50/93/538425093.db2.gz PIYYSWJNUKQDMQ-QWHCGFSZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000379633003 538424984 /nfs/dbraw/zinc/42/49/84/538424984.db2.gz PIYYSWJNUKQDMQ-STQMWFEESA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000379641789 538424889 /nfs/dbraw/zinc/42/48/89/538424889.db2.gz VOWBFLOKNPYSOD-CHWSQXEVSA-N 1 0 197.366 3.755 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000379641791 538424925 /nfs/dbraw/zinc/42/49/25/538424925.db2.gz VOWBFLOKNPYSOD-OLZOCXBDSA-N 1 0 197.366 3.755 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@H](C)C(C)C ZINC000379641793 538425094 /nfs/dbraw/zinc/42/50/94/538425094.db2.gz VOWBFLOKNPYSOD-QWHCGFSZSA-N 1 0 197.366 3.755 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000379641797 538425092 /nfs/dbraw/zinc/42/50/92/538425092.db2.gz VOWBFLOKNPYSOD-STQMWFEESA-N 1 0 197.366 3.755 20 0 AHADRO CC(C)=CCC[NH2+]C1CCCCCC1 ZINC000379645552 538425322 /nfs/dbraw/zinc/42/53/22/538425322.db2.gz XWMWEXVSSFOIBQ-UHFFFAOYSA-N 1 0 195.350 3.655 20 0 AHADRO CC(C)(C)CCCC[NH2+]CC1(C)CC1 ZINC000379658446 538426886 /nfs/dbraw/zinc/42/68/86/538426886.db2.gz NMKFKOVPJCNTKF-UHFFFAOYSA-N 1 0 197.366 3.593 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](C)CCC1CCCC1 ZINC000379658753 538427016 /nfs/dbraw/zinc/42/70/16/538427016.db2.gz NVADKNNQXFAKEG-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)CCC1CCCC1 ZINC000379658754 538427036 /nfs/dbraw/zinc/42/70/36/538427036.db2.gz NVADKNNQXFAKEG-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)CCC1CCCC1 ZINC000379658755 538426957 /nfs/dbraw/zinc/42/69/57/538426957.db2.gz NVADKNNQXFAKEG-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)CCC1CCCC1 ZINC000379658756 538426895 /nfs/dbraw/zinc/42/68/95/538426895.db2.gz NVADKNNQXFAKEG-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000379662487 538427116 /nfs/dbraw/zinc/42/71/16/538427116.db2.gz ROMKGGWRPXZWGA-AVGNSLFASA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000379662492 538427042 /nfs/dbraw/zinc/42/70/42/538427042.db2.gz ROMKGGWRPXZWGA-RWMBFGLXSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC=C(C)CC1 ZINC000379662501 538426888 /nfs/dbraw/zinc/42/68/88/538426888.db2.gz ROMKGGWRPXZWGA-XQQFMLRXSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC=C(C)CC1 ZINC000379662502 538427094 /nfs/dbraw/zinc/42/70/94/538427094.db2.gz ROMKGGWRPXZWGA-YNEHKIRRSA-N 1 0 195.350 3.509 20 0 AHADRO CC/C=C/CC[NH2+][C@@H]1CCCC1(C)C ZINC000379665361 582713923 /nfs/dbraw/zinc/71/39/23/582713923.db2.gz VYOGXQHIGVOOIL-BTDICHCPSA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C\CC[NH2+][C@H]1CCCC1(C)C ZINC000379665364 582713210 /nfs/dbraw/zinc/71/32/10/582713210.db2.gz VYOGXQHIGVOOIL-FJOGCWAESA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C\CC[NH2+][C@@H]1CCCC1(C)C ZINC000379665367 582713859 /nfs/dbraw/zinc/71/38/59/582713859.db2.gz VYOGXQHIGVOOIL-FOQNGQEVSA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C/CC[NH2+][C@H]1CCCC1(C)C ZINC000379665376 697909422 /nfs/dbraw/zinc/90/94/22/697909422.db2.gz VYOGXQHIGVOOIL-FYJFLYSWSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+]CCC1CC1 ZINC000379666428 582713269 /nfs/dbraw/zinc/71/32/69/582713269.db2.gz XJJJEFOJEVRSSQ-AAEUAGOBSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCC1CC1 ZINC000379666429 582713214 /nfs/dbraw/zinc/71/32/14/582713214.db2.gz XJJJEFOJEVRSSQ-DGCLKSJQSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CCC1CC1 ZINC000379666431 582714160 /nfs/dbraw/zinc/71/41/60/582714160.db2.gz XJJJEFOJEVRSSQ-WCQYABFASA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CCC1CC1 ZINC000379666433 582713907 /nfs/dbraw/zinc/71/39/07/582713907.db2.gz XJJJEFOJEVRSSQ-YPMHNXCESA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000379668236 538427238 /nfs/dbraw/zinc/42/72/38/538427238.db2.gz ZMAXBOYDQIMVRJ-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000379668237 538427332 /nfs/dbraw/zinc/42/73/32/538427332.db2.gz ZMAXBOYDQIMVRJ-QNWHQSFQSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000379668238 538427334 /nfs/dbraw/zinc/42/73/34/538427334.db2.gz ZMAXBOYDQIMVRJ-RNJOBUHISA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000379668239 538427325 /nfs/dbraw/zinc/42/73/25/538427325.db2.gz ZMAXBOYDQIMVRJ-ZDEQEGDKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H](CC)[NH2+]CC1CC(C)(C)C1 ZINC000381562494 541339823 /nfs/dbraw/zinc/33/98/23/541339823.db2.gz TXNIMOPGQHRCSD-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](CC)[NH2+]CC1CC(C)(C)C1 ZINC000381562495 541340524 /nfs/dbraw/zinc/34/05/24/541340524.db2.gz TXNIMOPGQHRCSD-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381712508 409884347 /nfs/dbraw/zinc/88/43/47/409884347.db2.gz IRSDGPGAQNXOGD-JTQLQIEISA-N 1 0 197.347 3.507 20 0 AHADRO CCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381712513 409885755 /nfs/dbraw/zinc/88/57/55/409885755.db2.gz IRSDGPGAQNXOGD-SNVBAGLBSA-N 1 0 197.347 3.507 20 0 AHADRO CCC(CC)[NH2+]C1CC(C(C)(C)C)C1 ZINC000382148551 409895112 /nfs/dbraw/zinc/89/51/12/409895112.db2.gz OTQYGIVWLBTXOK-UHFFFAOYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)CC)c1ccsc1 ZINC000382151641 409893880 /nfs/dbraw/zinc/89/38/80/409893880.db2.gz SIXLPXPWWPNJOO-GXSJLCMTSA-N 1 0 197.347 3.587 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382151642 409893841 /nfs/dbraw/zinc/89/38/41/409893841.db2.gz SIXLPXPWWPNJOO-KOLCDFICSA-N 1 0 197.347 3.587 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](CC)c1ccsc1 ZINC000382151644 409893756 /nfs/dbraw/zinc/89/37/56/409893756.db2.gz SIXLPXPWWPNJOO-MWLCHTKSSA-N 1 0 197.347 3.587 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](CC)c1ccsc1 ZINC000382152328 409894538 /nfs/dbraw/zinc/89/45/38/409894538.db2.gz SIXLPXPWWPNJOO-ONGXEEELSA-N 1 0 197.347 3.587 20 0 AHADRO CCC1([NH2+]CCCC(C)C)CCCC1 ZINC000382564236 409906913 /nfs/dbraw/zinc/90/69/13/409906913.db2.gz MZRSEIZYJVRJLS-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC(CC)C[NH2+]C1(CC)CCCC1 ZINC000382565421 409906700 /nfs/dbraw/zinc/90/67/00/409906700.db2.gz NUHRUXFFORLLAM-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC000382567269 409906479 /nfs/dbraw/zinc/90/64/79/409906479.db2.gz OMZWDNKNSYPCKS-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[C@@H](C)C[NH2+]C1(CC)CCCC1 ZINC000382592569 409906905 /nfs/dbraw/zinc/90/69/05/409906905.db2.gz ZMJFCNDLFSJLJH-GFCCVEGCSA-N 1 0 197.366 3.735 20 0 AHADRO CCC[C@H](C)C[NH2+]C1(CC)CCCC1 ZINC000382592572 409906210 /nfs/dbraw/zinc/90/62/10/409906210.db2.gz ZMJFCNDLFSJLJH-LBPRGKRZSA-N 1 0 197.366 3.735 20 0 AHADRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)C1(C)CC1 ZINC000384542015 697930205 /nfs/dbraw/zinc/93/02/05/697930205.db2.gz OKYRNMRHOHSAHX-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)C1(C)CC1 ZINC000384542021 697930338 /nfs/dbraw/zinc/93/03/38/697930338.db2.gz OKYRNMRHOHSAHX-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1(C)CC1 ZINC000384542023 697930225 /nfs/dbraw/zinc/93/02/25/697930225.db2.gz OKYRNMRHOHSAHX-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1(C)CC1 ZINC000384542025 697930193 /nfs/dbraw/zinc/93/01/93/697930193.db2.gz OKYRNMRHOHSAHX-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1CC1 ZINC000384578296 487252252 /nfs/dbraw/zinc/25/22/52/487252252.db2.gz WMOIPBHEEMOWBK-CMPLNLGQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1CC1 ZINC000384578297 487252228 /nfs/dbraw/zinc/25/22/28/487252228.db2.gz WMOIPBHEEMOWBK-JQWIXIFHSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1CC1 ZINC000384578298 487252675 /nfs/dbraw/zinc/25/26/75/487252675.db2.gz WMOIPBHEEMOWBK-PWSUYJOCSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1CC1 ZINC000384578299 487252179 /nfs/dbraw/zinc/25/21/79/487252179.db2.gz WMOIPBHEEMOWBK-ZYHUDNBSSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CC1CC1)[NH2+][C@H](C)CC(C)(C)C ZINC000384803349 409914022 /nfs/dbraw/zinc/91/40/22/409914022.db2.gz TXBNRZJZCFFYLD-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CC1CC1)[NH2+][C@@H](C)CC(C)(C)C ZINC000384803350 409912878 /nfs/dbraw/zinc/91/28/78/409912878.db2.gz TXBNRZJZCFFYLD-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H](CC1CC1)[NH2+][C@@H](C)CC(C)(C)C ZINC000384803351 409914400 /nfs/dbraw/zinc/91/44/00/409914400.db2.gz TXBNRZJZCFFYLD-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)CC1CC1 ZINC000384803352 409913374 /nfs/dbraw/zinc/91/33/74/409913374.db2.gz TXBNRZJZCFFYLD-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[N@H+](CC(C)C)C(C)C ZINC000388232147 346548720 /nfs/dbraw/zinc/54/87/20/346548720.db2.gz MXXKWGOERNXOSZ-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CC[C@@H](C)[NH2+]CC(CC)(CC)CC ZINC000388311312 538431121 /nfs/dbraw/zinc/43/11/21/538431121.db2.gz RUQRWYYNBSQFIG-LLVKDONJSA-N 1 0 185.355 3.591 20 0 AHADRO CC[C@H](C)[NH2+]CC(CC)(CC)CC ZINC000388311314 538430882 /nfs/dbraw/zinc/43/08/82/538430882.db2.gz RUQRWYYNBSQFIG-NSHDSACASA-N 1 0 185.355 3.591 20 0 AHADRO CCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000388577506 409957622 /nfs/dbraw/zinc/95/76/22/409957622.db2.gz CHPQXPLGZJMMDX-JTQLQIEISA-N 1 0 197.347 3.541 20 0 AHADRO CCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000388577508 409957298 /nfs/dbraw/zinc/95/72/98/409957298.db2.gz CHPQXPLGZJMMDX-SNVBAGLBSA-N 1 0 197.347 3.541 20 0 AHADRO CC[C@@H](C)[N@H+](C)CCC(C)(C)CC ZINC000388578024 346559199 /nfs/dbraw/zinc/55/91/99/346559199.db2.gz CQZZQQYNPGOVQB-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CC[C@H](C)[N@H+](C)CCC(C)(C)CC ZINC000388578025 346558857 /nfs/dbraw/zinc/55/88/57/346558857.db2.gz CQZZQQYNPGOVQB-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CC[N@H+](CCC(C)(C)CC)C(C)C ZINC000388627448 697982228 /nfs/dbraw/zinc/98/22/28/697982228.db2.gz JNKJOMXRLFCEES-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000388677175 487260869 /nfs/dbraw/zinc/26/08/69/487260869.db2.gz GAIQSVDSDWCQDL-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000388677180 487260488 /nfs/dbraw/zinc/26/04/88/487260488.db2.gz GAIQSVDSDWCQDL-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[N@H+](CC)CCC(C)(C)CC ZINC000388711757 346564725 /nfs/dbraw/zinc/56/47/25/346564725.db2.gz PSFQUXSRCUNBGQ-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCCCC[N@H+](C)[C@H](C)C(C)(C)C ZINC000388753738 346566416 /nfs/dbraw/zinc/56/64/16/346566416.db2.gz CHKYNISFQBEUCA-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CCCCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000388753742 346566512 /nfs/dbraw/zinc/56/65/12/346566512.db2.gz CHKYNISFQBEUCA-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000388805756 538437729 /nfs/dbraw/zinc/43/77/29/538437729.db2.gz AENQMBOPOPPSHR-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000388805759 538438017 /nfs/dbraw/zinc/43/80/17/538438017.db2.gz AENQMBOPOPPSHR-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000388838904 538438157 /nfs/dbraw/zinc/43/81/57/538438157.db2.gz UNWZCNAUNPKISC-DIABFLQPSA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000388838905 538438362 /nfs/dbraw/zinc/43/83/62/538438362.db2.gz UNWZCNAUNPKISC-IJWDBEHRSA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C\CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000388838906 538438414 /nfs/dbraw/zinc/43/84/14/538438414.db2.gz UNWZCNAUNPKISC-OEFFGFFESA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C/CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000388838908 538438421 /nfs/dbraw/zinc/43/84/21/538438421.db2.gz UNWZCNAUNPKISC-QITAHTHBSA-N 1 0 195.350 3.511 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+]CC1(C)CC1 ZINC000388865676 538438356 /nfs/dbraw/zinc/43/83/56/538438356.db2.gz FTYPDEUTLGKBNU-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+]CC1(C)CC1 ZINC000388865677 538438385 /nfs/dbraw/zinc/43/83/85/538438385.db2.gz FTYPDEUTLGKBNU-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)[NH2+][C@H](C)CCC=C(C)C ZINC000388868854 538438248 /nfs/dbraw/zinc/43/82/48/538438248.db2.gz ADGGDGHAHZDVRL-GFCCVEGCSA-N 1 0 197.366 3.900 20 0 AHADRO CCC(CC)[NH2+][C@@H](C)CCC=C(C)C ZINC000388868858 538438133 /nfs/dbraw/zinc/43/81/33/538438133.db2.gz ADGGDGHAHZDVRL-LBPRGKRZSA-N 1 0 197.366 3.900 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+]C1CCCC1 ZINC000388898419 538438597 /nfs/dbraw/zinc/43/85/97/538438597.db2.gz SOYPAHCIJXGITI-AAEUAGOBSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCCC1 ZINC000388898420 538439025 /nfs/dbraw/zinc/43/90/25/538439025.db2.gz SOYPAHCIJXGITI-DGCLKSJQSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+]C1CCCC1 ZINC000388898422 538438637 /nfs/dbraw/zinc/43/86/37/538438637.db2.gz SOYPAHCIJXGITI-WCQYABFASA-N 1 0 197.366 3.733 20 0 AHADRO CCC[C@@H](C)[C@H](CC)[NH2+]C1CCCC1 ZINC000388898425 538439059 /nfs/dbraw/zinc/43/90/59/538439059.db2.gz SOYPAHCIJXGITI-YPMHNXCESA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000388972414 698004055 /nfs/dbraw/zinc/00/40/55/698004055.db2.gz KTLHPXZCOOBCKJ-CHWSQXEVSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000388973251 698003773 /nfs/dbraw/zinc/00/37/73/698003773.db2.gz KTLHPXZCOOBCKJ-OLZOCXBDSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000388973252 698003975 /nfs/dbraw/zinc/00/39/75/698003975.db2.gz KTLHPXZCOOBCKJ-QWHCGFSZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000388973254 698003938 /nfs/dbraw/zinc/00/39/38/698003938.db2.gz KTLHPXZCOOBCKJ-STQMWFEESA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@H](C)CCC1CC1 ZINC000389195147 538438796 /nfs/dbraw/zinc/43/87/96/538438796.db2.gz ADVVRMVFPKYGGU-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(CC)C[NH2+][C@@H](C)CCC1CC1 ZINC000389195148 538438980 /nfs/dbraw/zinc/43/89/80/538438980.db2.gz ADVVRMVFPKYGGU-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](C)[C@H](C)[NH2+]C1CCCC1 ZINC000389196564 538438604 /nfs/dbraw/zinc/43/86/04/538438604.db2.gz AXJCPVDRRFUDQW-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[C@@H](C)[NH2+]C1CCCC1 ZINC000389196565 538438984 /nfs/dbraw/zinc/43/89/84/538438984.db2.gz AXJCPVDRRFUDQW-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](C)[C@H](C)[NH2+]C1CCCC1 ZINC000389196566 538438605 /nfs/dbraw/zinc/43/86/05/538438605.db2.gz AXJCPVDRRFUDQW-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](C)[C@@H](C)[NH2+]C1CCCC1 ZINC000389196567 538438791 /nfs/dbraw/zinc/43/87/91/538438791.db2.gz AXJCPVDRRFUDQW-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@H](C)C1(C)CC1 ZINC000389202020 698004623 /nfs/dbraw/zinc/00/46/23/698004623.db2.gz DVDXDNJEUCSBTE-LLVKDONJSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC(CCC)[NH2+][C@@H](C)C1(C)CC1 ZINC000389202021 698004571 /nfs/dbraw/zinc/00/45/71/698004571.db2.gz DVDXDNJEUCSBTE-NSHDSACASA-N 1 0 197.366 3.733 20 0 AHADRO CCC(C)(C)C[NH2+][C@H](C)CCC1CC1 ZINC000389204747 538439501 /nfs/dbraw/zinc/43/95/01/538439501.db2.gz GANVEAFFMLAHGI-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)C[NH2+][C@@H](C)CCC1CC1 ZINC000389204750 538439133 /nfs/dbraw/zinc/43/91/33/538439133.db2.gz GANVEAFFMLAHGI-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC/C=C\CC[NH2+]C(CC)(CC)CC ZINC000389207751 538439244 /nfs/dbraw/zinc/43/92/44/538439244.db2.gz HGXYNILDKYIHMY-KTKRTIGZSA-N 1 0 197.366 3.901 20 0 AHADRO CC/C=C/CC[NH2+]C(CC)(CC)CC ZINC000389207752 538439545 /nfs/dbraw/zinc/43/95/45/538439545.db2.gz HGXYNILDKYIHMY-MDZDMXLPSA-N 1 0 197.366 3.901 20 0 AHADRO CC(C)CCCC[NH2+][C@H](C)C1CCC1 ZINC000389218377 698005156 /nfs/dbraw/zinc/00/51/56/698005156.db2.gz LRHJFDCCWPWVCR-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCCC[NH2+][C@@H](C)C1CCC1 ZINC000389218378 698005206 /nfs/dbraw/zinc/00/52/06/698005206.db2.gz LRHJFDCCWPWVCR-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[NH2+]CCC1=CCCCCC1 ZINC000389219321 538439384 /nfs/dbraw/zinc/43/93/84/538439384.db2.gz MNXPARHDTNTAKH-GFCCVEGCSA-N 1 0 195.350 3.655 20 0 AHADRO CC[C@H](C)[NH2+]CCC1=CCCCCC1 ZINC000389219322 538439376 /nfs/dbraw/zinc/43/93/76/538439376.db2.gz MNXPARHDTNTAKH-LBPRGKRZSA-N 1 0 195.350 3.655 20 0 AHADRO CC(C)CC[C@@H]([NH2+]C(C)C)C(C)(C)C ZINC000389219823 538439458 /nfs/dbraw/zinc/43/94/58/538439458.db2.gz MSDXLEDVVZTOOJ-GFCCVEGCSA-N 1 0 199.382 3.835 20 0 AHADRO CC(C)CC[C@H]([NH2+]C(C)C)C(C)(C)C ZINC000389219824 538439414 /nfs/dbraw/zinc/43/94/14/538439414.db2.gz MSDXLEDVVZTOOJ-LBPRGKRZSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000389229632 538439403 /nfs/dbraw/zinc/43/94/03/538439403.db2.gz SOLBTOBIFUJUNZ-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000389229635 538439213 /nfs/dbraw/zinc/43/92/13/538439213.db2.gz SOLBTOBIFUJUNZ-SDDRHHMPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCC1CC1 ZINC000389229637 538439271 /nfs/dbraw/zinc/43/92/71/538439271.db2.gz SOLBTOBIFUJUNZ-SRVKXCTJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCC1CC1 ZINC000389229639 538439542 /nfs/dbraw/zinc/43/95/42/538439542.db2.gz SOLBTOBIFUJUNZ-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000389240569 698005709 /nfs/dbraw/zinc/00/57/09/698005709.db2.gz YCLQWJLHMKCZIB-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000389240570 698005811 /nfs/dbraw/zinc/00/58/11/698005811.db2.gz YCLQWJLHMKCZIB-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000389240571 698005749 /nfs/dbraw/zinc/00/57/49/698005749.db2.gz YCLQWJLHMKCZIB-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCC[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000389240572 698006084 /nfs/dbraw/zinc/00/60/84/698006084.db2.gz YCLQWJLHMKCZIB-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)=CCC[NH2+]CC1CCCCC1 ZINC000389258518 538439832 /nfs/dbraw/zinc/43/98/32/538439832.db2.gz FRULJYGBIFLAGQ-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO CCCCC[NH2+][C@H](C)CCC=C(C)C ZINC000389259845 538439987 /nfs/dbraw/zinc/43/99/87/538439987.db2.gz GCCCWLKKNKDUII-CYBMUJFWSA-N 1 0 197.366 3.901 20 0 AHADRO CCCCC[NH2+][C@@H](C)CCC=C(C)C ZINC000389259848 538439809 /nfs/dbraw/zinc/43/98/09/538439809.db2.gz GCCCWLKKNKDUII-ZDUSSCGKSA-N 1 0 197.366 3.901 20 0 AHADRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000389270669 538440169 /nfs/dbraw/zinc/44/01/69/538440169.db2.gz LMMDDRIUAFNMLK-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)C[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000389270674 538440573 /nfs/dbraw/zinc/44/05/73/538440573.db2.gz LMMDDRIUAFNMLK-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000389270679 538440536 /nfs/dbraw/zinc/44/05/36/538440536.db2.gz LMMDDRIUAFNMLK-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)C[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000389270683 538440516 /nfs/dbraw/zinc/44/05/16/538440516.db2.gz LMMDDRIUAFNMLK-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+]CC1CCC1 ZINC000389277105 538440424 /nfs/dbraw/zinc/44/04/24/538440424.db2.gz PNWRQJGDPPKNEN-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+]CC1CCC1 ZINC000389277106 538440264 /nfs/dbraw/zinc/44/02/64/538440264.db2.gz PNWRQJGDPPKNEN-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@H](C)CC1CCC1 ZINC000389281949 538440419 /nfs/dbraw/zinc/44/04/19/538440419.db2.gz SFQQHKNGXTYCDW-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@@H](C)CC1CCC1 ZINC000389281950 538440375 /nfs/dbraw/zinc/44/03/75/538440375.db2.gz SFQQHKNGXTYCDW-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000389302092 630347957 /nfs/dbraw/zinc/34/79/57/630347957.db2.gz MIWMAONVACURIO-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000389302093 582715188 /nfs/dbraw/zinc/71/51/88/582715188.db2.gz MIWMAONVACURIO-NWDGAFQWSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000389302094 582715427 /nfs/dbraw/zinc/71/54/27/582715427.db2.gz MIWMAONVACURIO-RYUDHWBXSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000389302095 582715184 /nfs/dbraw/zinc/71/51/84/582715184.db2.gz MIWMAONVACURIO-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO C[C@@H]1CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000389302103 698008270 /nfs/dbraw/zinc/00/82/70/698008270.db2.gz MJFCVWWPXSZRKT-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]1CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000389302104 698008258 /nfs/dbraw/zinc/00/82/58/698008258.db2.gz MJFCVWWPXSZRKT-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@H]1CC[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000389302106 698008488 /nfs/dbraw/zinc/00/84/88/698008488.db2.gz MJFCVWWPXSZRKT-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H]1CC[C@H]1[NH2+]CCCCC(C)(C)C ZINC000389302108 698008491 /nfs/dbraw/zinc/00/84/91/698008491.db2.gz MJFCVWWPXSZRKT-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)=CCC[NH2+][C@H](C)CCC1CC1 ZINC000389310766 541342712 /nfs/dbraw/zinc/34/27/12/541342712.db2.gz OSOUOJBKJFUQQB-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[NH2+][C@@H](C)CCC1CC1 ZINC000389310775 541343015 /nfs/dbraw/zinc/34/30/15/541343015.db2.gz OSOUOJBKJFUQQB-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+]CC1(C)CC1 ZINC000389325026 541343452 /nfs/dbraw/zinc/34/34/52/541343452.db2.gz STPSERYVLTXVQW-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+]CC1(C)CC1 ZINC000389325030 541343521 /nfs/dbraw/zinc/34/35/21/541343521.db2.gz STPSERYVLTXVQW-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCC(C)(C)CC[NH2+][C@H](C)C(C)(C)C ZINC000389333622 346572193 /nfs/dbraw/zinc/57/21/93/346572193.db2.gz VVZYVYHBYJSHBE-LLVKDONJSA-N 1 0 199.382 3.837 20 0 AHADRO CCC(C)(C)CC[NH2+][C@@H](C)C(C)(C)C ZINC000389333624 346572305 /nfs/dbraw/zinc/57/23/05/346572305.db2.gz VVZYVYHBYJSHBE-NSHDSACASA-N 1 0 199.382 3.837 20 0 AHADRO CC[C@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000389344614 538441067 /nfs/dbraw/zinc/44/10/67/538441067.db2.gz ZJTHECVKCKHITQ-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000389344618 538440935 /nfs/dbraw/zinc/44/09/35/538440935.db2.gz ZJTHECVKCKHITQ-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H](C)[NH2+]C[C@H](C)C1CCCCC1 ZINC000389344624 538441144 /nfs/dbraw/zinc/44/11/44/538441144.db2.gz ZJTHECVKCKHITQ-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000389344625 538440917 /nfs/dbraw/zinc/44/09/17/538440917.db2.gz ZJTHECVKCKHITQ-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@H](C)C1(C)CC1 ZINC000389365974 698009750 /nfs/dbraw/zinc/00/97/50/698009750.db2.gz VEHZPTVDYGIFRT-NEPJUHHUSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CC)[NH2+][C@@H](C)C1(C)CC1 ZINC000389365975 698009491 /nfs/dbraw/zinc/00/94/91/698009491.db2.gz VEHZPTVDYGIFRT-NWDGAFQWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC)[NH2+][C@@H](C)C1(C)CC1 ZINC000389365980 698009600 /nfs/dbraw/zinc/00/96/00/698009600.db2.gz VEHZPTVDYGIFRT-RYUDHWBXSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CC)[NH2+][C@H](C)C1(C)CC1 ZINC000389365988 698009524 /nfs/dbraw/zinc/00/95/24/698009524.db2.gz VEHZPTVDYGIFRT-VXGBXAGGSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[NH2+][C@H](C(C)C)C1CC1 ZINC000389368102 698009456 /nfs/dbraw/zinc/00/94/56/698009456.db2.gz WCWZTCLWYLYHNV-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000389368104 698009448 /nfs/dbraw/zinc/00/94/48/698009448.db2.gz WCWZTCLWYLYHNV-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000392835494 409979386 /nfs/dbraw/zinc/97/93/86/409979386.db2.gz KTDOABUWOBEWRP-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[NH2+]CCC(C)(C)C1CC1 ZINC000392835496 409979609 /nfs/dbraw/zinc/97/96/09/409979609.db2.gz KTDOABUWOBEWRP-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)CC[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000393468562 409984338 /nfs/dbraw/zinc/98/43/38/409984338.db2.gz DVGRYUKFQOQCCM-GFCCVEGCSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000393468565 409983872 /nfs/dbraw/zinc/98/38/72/409983872.db2.gz DVGRYUKFQOQCCM-LBPRGKRZSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000393555184 573713088 /nfs/dbraw/zinc/71/30/88/573713088.db2.gz LGGLNCZHSNPJPD-GHMZBOCLSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000393555187 573712373 /nfs/dbraw/zinc/71/23/73/573712373.db2.gz LGGLNCZHSNPJPD-MNOVXSKESA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000393555189 573713561 /nfs/dbraw/zinc/71/35/61/573713561.db2.gz LGGLNCZHSNPJPD-QWRGUYRKSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000393555196 573722749 /nfs/dbraw/zinc/72/27/49/573722749.db2.gz LGGLNCZHSNPJPD-WDEREUQCSA-N 1 0 185.355 3.589 20 0 AHADRO CCC(C)(C)[N@H+](C)CCCC(C)C ZINC000393577769 573224678 /nfs/dbraw/zinc/22/46/78/573224678.db2.gz AAKQFKARCCPCLG-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO C[C@H](CCC1CC1)[NH2+]CCC(C)(C)C ZINC000393670240 582483610 /nfs/dbraw/zinc/48/36/10/582483610.db2.gz FNFVCOMUQUNQFE-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO C[C@@H](CCC1CC1)[NH2+]CCC(C)(C)C ZINC000393670241 582483693 /nfs/dbraw/zinc/48/36/93/582483693.db2.gz FNFVCOMUQUNQFE-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC(C)C(C)(C)[NH2+]C[C@@H](C)C(C)(C)C ZINC000393670396 487268491 /nfs/dbraw/zinc/26/84/91/487268491.db2.gz JMLZWQZJEQDZSE-LLVKDONJSA-N 1 0 199.382 3.693 20 0 AHADRO CC(C)C(C)(C)[NH2+]C[C@H](C)C(C)(C)C ZINC000393670398 487268040 /nfs/dbraw/zinc/26/80/40/487268040.db2.gz JMLZWQZJEQDZSE-NSHDSACASA-N 1 0 199.382 3.693 20 0 AHADRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(C)CC1 ZINC000393681183 582492272 /nfs/dbraw/zinc/49/22/72/582492272.db2.gz CSQKCAPSJSVMBP-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(C)CC1 ZINC000393681185 582492703 /nfs/dbraw/zinc/49/27/03/582492703.db2.gz CSQKCAPSJSVMBP-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(C)CC1 ZINC000393681186 582492652 /nfs/dbraw/zinc/49/26/52/582492652.db2.gz CSQKCAPSJSVMBP-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(C)CC1 ZINC000393681188 673961031 /nfs/dbraw/zinc/96/10/31/673961031.db2.gz CSQKCAPSJSVMBP-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000393692683 582493688 /nfs/dbraw/zinc/49/36/88/582493688.db2.gz YZZZXENBZQBMGZ-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000393692684 582493484 /nfs/dbraw/zinc/49/34/84/582493484.db2.gz YZZZXENBZQBMGZ-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC000393692686 582493311 /nfs/dbraw/zinc/49/33/11/582493311.db2.gz YZZZXENBZQBMGZ-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CC[C@H]1[NH2+]CCCC(C)(C)C ZINC000393692688 630073151 /nfs/dbraw/zinc/07/31/51/630073151.db2.gz YZZZXENBZQBMGZ-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[NH2+][C@H](CC)c1ccsc1 ZINC000394255326 409996985 /nfs/dbraw/zinc/99/69/85/409996985.db2.gz GVYDAQIZRFLHBD-LLVKDONJSA-N 1 0 197.347 3.589 20 0 AHADRO CCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000394255327 409995931 /nfs/dbraw/zinc/99/59/31/409995931.db2.gz GVYDAQIZRFLHBD-NSHDSACASA-N 1 0 197.347 3.589 20 0 AHADRO CCCCCC[NH2+]C1(CC)CCCC1 ZINC000394577774 698031641 /nfs/dbraw/zinc/03/16/41/698031641.db2.gz WILITGRJZWVOON-UHFFFAOYSA-N 1 0 197.366 3.879 20 0 AHADRO CC[C@@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000394590322 410000113 /nfs/dbraw/zinc/00/01/13/410000113.db2.gz UDGSVPZDOQFEFU-PSASIEDQSA-N 1 0 197.347 3.506 20 0 AHADRO CC[C@@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000394590328 409999918 /nfs/dbraw/zinc/99/99/18/409999918.db2.gz UDGSVPZDOQFEFU-SCZZXKLOSA-N 1 0 197.347 3.506 20 0 AHADRO CC[C@H](C)[NH2+][C@H](C)c1csc(C)c1 ZINC000394590331 410000495 /nfs/dbraw/zinc/00/04/95/410000495.db2.gz UDGSVPZDOQFEFU-WCBMZHEXSA-N 1 0 197.347 3.506 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)c1csc(C)c1 ZINC000394590332 409999733 /nfs/dbraw/zinc/99/97/33/409999733.db2.gz UDGSVPZDOQFEFU-WPRPVWTQSA-N 1 0 197.347 3.506 20 0 AHADRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CC=CCC1 ZINC000395009800 698033145 /nfs/dbraw/zinc/03/31/45/698033145.db2.gz JAJORFGSYGUIHJ-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC=CCC1 ZINC000395009801 698032966 /nfs/dbraw/zinc/03/29/66/698032966.db2.gz JAJORFGSYGUIHJ-NWDGAFQWSA-N 1 0 195.350 3.509 20 0 AHADRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC=CCC1 ZINC000395009802 698032871 /nfs/dbraw/zinc/03/28/71/698032871.db2.gz JAJORFGSYGUIHJ-RYUDHWBXSA-N 1 0 195.350 3.509 20 0 AHADRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC=CCC1 ZINC000395009803 698033223 /nfs/dbraw/zinc/03/32/23/698033223.db2.gz JAJORFGSYGUIHJ-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@@H]([NH2+]CCC=C(C)C)C1CCC1 ZINC000397731474 410015054 /nfs/dbraw/zinc/01/50/54/410015054.db2.gz DHSQVQUIOYMAGQ-CYBMUJFWSA-N 1 0 195.350 3.511 20 0 AHADRO CC[C@H]([NH2+]CCC=C(C)C)C1CCC1 ZINC000397731476 410015757 /nfs/dbraw/zinc/01/57/57/410015757.db2.gz DHSQVQUIOYMAGQ-ZDUSSCGKSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)(C)CC[NH2+][C@]1(C)CC=CCC1 ZINC000398416286 487284827 /nfs/dbraw/zinc/28/48/27/487284827.db2.gz OHAAVPADPGEIQX-CYBMUJFWSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)(C)CC[NH2+][C@@]1(C)CC=CCC1 ZINC000398416287 487285243 /nfs/dbraw/zinc/28/52/43/487285243.db2.gz OHAAVPADPGEIQX-ZDUSSCGKSA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)CCCC[NH2+]CC1=CCCC1 ZINC000401126973 757148107 /nfs/dbraw/zinc/14/81/07/757148107.db2.gz QMKYKETXAIVPGO-UHFFFAOYSA-N 1 0 195.350 3.513 20 0 AHADRO C[C@H](CC(C)(C)C)[NH2+]CC1=CCCC1 ZINC000401143988 757145036 /nfs/dbraw/zinc/14/50/36/757145036.db2.gz ZMBDKEFJDYWSAJ-LLVKDONJSA-N 1 0 195.350 3.511 20 0 AHADRO C[C@@H](CC(C)(C)C)[NH2+]CC1=CCCC1 ZINC000401143991 757144315 /nfs/dbraw/zinc/14/43/15/757144315.db2.gz ZMBDKEFJDYWSAJ-NSHDSACASA-N 1 0 195.350 3.511 20 0 AHADRO CCC1(C)CC[NH+](CCC(C)C)CC1 ZINC000585753830 346762072 /nfs/dbraw/zinc/76/20/72/346762072.db2.gz SEAMGHDZHUMYQP-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)C[N@H+](C)CCC1CCCCC1 ZINC000585761983 346762021 /nfs/dbraw/zinc/76/20/21/346762021.db2.gz OMVMESJTZXHWEB-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@H+](C)CCC1CCCCC1 ZINC000586768536 346762878 /nfs/dbraw/zinc/76/28/78/346762878.db2.gz UETNJDGTPPGPOJ-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC(C)C[N@H+](CC1CCCC1)C(C)C ZINC000590058842 346776212 /nfs/dbraw/zinc/77/62/12/346776212.db2.gz WFNAFMPPHBTFPQ-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591378167 346813196 /nfs/dbraw/zinc/81/31/96/346813196.db2.gz XEJAAUPMMCWXEZ-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591378168 346813302 /nfs/dbraw/zinc/81/33/02/346813302.db2.gz XEJAAUPMMCWXEZ-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000591475631 346816499 /nfs/dbraw/zinc/81/64/99/346816499.db2.gz RWRGQKTTWASAFA-NEPJUHHUSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000591475632 346816541 /nfs/dbraw/zinc/81/65/41/346816541.db2.gz RWRGQKTTWASAFA-NWDGAFQWSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000591475633 346816521 /nfs/dbraw/zinc/81/65/21/346816521.db2.gz RWRGQKTTWASAFA-RYUDHWBXSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000591475634 346816527 /nfs/dbraw/zinc/81/65/27/346816527.db2.gz RWRGQKTTWASAFA-VXGBXAGGSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](C)[C@H](C)[N@H+](CC(C)C)C1CC1 ZINC000591476474 346816595 /nfs/dbraw/zinc/81/65/95/346816595.db2.gz RIZNMXPQGBYSBM-NEPJUHHUSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)[C@@H](C)[N@H+](CC(C)C)C1CC1 ZINC000591476475 346816559 /nfs/dbraw/zinc/81/65/59/346816559.db2.gz RIZNMXPQGBYSBM-NWDGAFQWSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)[C@H](C)[N@H+](CC(C)C)C1CC1 ZINC000591476476 346816576 /nfs/dbraw/zinc/81/65/76/346816576.db2.gz RIZNMXPQGBYSBM-RYUDHWBXSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@@H](C)[C@@H](C)[N@H+](CC(C)C)C1CC1 ZINC000591476477 346816533 /nfs/dbraw/zinc/81/65/33/346816533.db2.gz RIZNMXPQGBYSBM-VXGBXAGGSA-N 1 0 197.366 3.541 20 0 AHADRO CC(C)=CC[N@@H+](C(C)C)C1CCCC1 ZINC000594722278 346851306 /nfs/dbraw/zinc/85/13/06/346851306.db2.gz VAYDBZSEJFTMNK-UHFFFAOYSA-N 1 0 195.350 3.606 20 0 AHADRO CC(C)CC[N@H+](C(C)C)C1CCCC1 ZINC000594724611 346851513 /nfs/dbraw/zinc/85/15/13/346851513.db2.gz YLMXTRPTFMAGJH-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC000600656245 346915116 /nfs/dbraw/zinc/91/51/16/346915116.db2.gz KHSUMBXOZAUXAZ-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC000600656246 346915152 /nfs/dbraw/zinc/91/51/52/346915152.db2.gz KHSUMBXOZAUXAZ-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@H+](CCC(C)(C)C)C1CC1 ZINC000602860868 346946095 /nfs/dbraw/zinc/94/60/95/346946095.db2.gz DFXUPDNHZGJUBG-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)C[N@H+](CCC(C)(C)C)C1CC1 ZINC000602860905 346946284 /nfs/dbraw/zinc/94/62/84/346946284.db2.gz GDLGGPHIWWHNAW-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[C@@H](C)[N@H+](C)CCC(C)(C)C ZINC000602861009 346946530 /nfs/dbraw/zinc/94/65/30/346946530.db2.gz MBQYQMXQLAGBGX-GFCCVEGCSA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)C[C@H](C)[N@H+](C)CCC(C)(C)C ZINC000602861034 346946210 /nfs/dbraw/zinc/94/62/10/346946210.db2.gz MBQYQMXQLAGBGX-LBPRGKRZSA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)[N@H+](CCC(C)(C)C)CC1CC1 ZINC000602862335 346946075 /nfs/dbraw/zinc/94/60/75/346946075.db2.gz BYJWCBCTZLQNDD-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](CCC(C)(C)C)C1CCCC1 ZINC000602862404 346946348 /nfs/dbraw/zinc/94/63/48/346946348.db2.gz HQQZMZZDOFDETL-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000602862763 346946119 /nfs/dbraw/zinc/94/61/19/346946119.db2.gz SCUJHSHFFXRCKV-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000602862765 346946500 /nfs/dbraw/zinc/94/65/00/346946500.db2.gz SCUJHSHFFXRCKV-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[N@H+](CCC(C)(C)C)CC(C)C ZINC000602868789 346946598 /nfs/dbraw/zinc/94/65/98/346946598.db2.gz AAPGLIWRIXKSMC-UHFFFAOYSA-N 1 0 199.382 3.791 20 0 AHADRO CC(C)[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000602877245 346947642 /nfs/dbraw/zinc/94/76/42/346947642.db2.gz QEZJYSFXIJUYGM-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 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CC[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC000607731609 346994423 /nfs/dbraw/zinc/99/44/23/346994423.db2.gz MCZUIPLKVHGKQA-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC000607731610 346994610 /nfs/dbraw/zinc/99/46/10/346994610.db2.gz MCZUIPLKVHGKQA-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)[N@H+](C)CCC1CCCC1 ZINC000607732108 346994298 /nfs/dbraw/zinc/99/42/98/346994298.db2.gz KZMSBTVRZPCDPM-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](CCC1CCCC1)CC(C)C ZINC000607732388 346994327 /nfs/dbraw/zinc/99/43/27/346994327.db2.gz BYFANISEJDEJPM-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO C[C@@H]1CCC[N@H+](CCC(C)(C)C)[C@H]1C ZINC000607740286 346995771 /nfs/dbraw/zinc/99/57/71/346995771.db2.gz HGAJSEFQQUQZNJ-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(C)(C)C ZINC000607740287 346995938 /nfs/dbraw/zinc/99/59/38/346995938.db2.gz HGAJSEFQQUQZNJ-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]1CCC[N@H+](CCC(C)(C)C)[C@H]1C 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/nfs/dbraw/zinc/99/66/18/346996618.db2.gz PXMBPMKVVKJXNT-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCCCC[N@H+](C[C@H]1C[C@H]1C)C(C)C ZINC000607751178 346996611 /nfs/dbraw/zinc/99/66/11/346996611.db2.gz CFEXVWANWXPEJJ-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC[N@H+](C[C@@H]1C[C@H]1C)C(C)C ZINC000607751179 346996479 /nfs/dbraw/zinc/99/64/79/346996479.db2.gz CFEXVWANWXPEJJ-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC[N@H+](C[C@H]1C[C@@H]1C)C(C)C ZINC000607751180 346996444 /nfs/dbraw/zinc/99/64/44/346996444.db2.gz CFEXVWANWXPEJJ-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC[N@H+](C[C@@H]1C[C@@H]1C)C(C)C ZINC000607751181 346996661 /nfs/dbraw/zinc/99/66/61/346996661.db2.gz CFEXVWANWXPEJJ-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[NH+](CCCC)CC1CCC1 ZINC000608491507 347002798 /nfs/dbraw/zinc/00/27/98/347002798.db2.gz FFBHCKWPYXGQCR-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCC[NH+](CCCC)CCC1CC1 ZINC000608491592 347002803 /nfs/dbraw/zinc/00/28/03/347002803.db2.gz ZQNOECXACJLADT-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCC(C)(C)CC[N@H+](C)C1CCCC1 ZINC000608491746 347002423 /nfs/dbraw/zinc/00/24/23/347002423.db2.gz BAZIQNDCQOLXKI-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(C)(C)CC[N@H+](C)[C@H](C)C(C)C ZINC000608491823 347002622 /nfs/dbraw/zinc/00/26/22/347002622.db2.gz OKHIPKKRAZWFJG-GFCCVEGCSA-N 1 0 199.382 3.789 20 0 AHADRO CCC(C)(C)CC[N@H+](C)[C@@H](C)C(C)C ZINC000608491824 347002733 /nfs/dbraw/zinc/00/27/33/347002733.db2.gz OKHIPKKRAZWFJG-LBPRGKRZSA-N 1 0 199.382 3.789 20 0 AHADRO CCC(C)(C)CC[N@H+](C)[C@H](C)C1CC1 ZINC000608491871 347002408 /nfs/dbraw/zinc/00/24/08/347002408.db2.gz GAXAMRUEOHSFIB-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)CC[N@H+](C)[C@@H](C)C1CC1 ZINC000608491872 347002517 /nfs/dbraw/zinc/00/25/17/347002517.db2.gz GAXAMRUEOHSFIB-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000608491917 347002642 /nfs/dbraw/zinc/00/26/42/347002642.db2.gz IXMSCFWOAOYVNF-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)CC[N@@H+]1CCC[C@H](C)C1 ZINC000608491918 347002327 /nfs/dbraw/zinc/00/23/27/347002327.db2.gz IXMSCFWOAOYVNF-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)CC[N@@H+]1CCCC[C@H]1C ZINC000608491939 347002526 /nfs/dbraw/zinc/00/25/26/347002526.db2.gz RSKLJOOCPTZEPZ-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(C)(C)CC[N@@H+]1CCCC[C@@H]1C ZINC000608491940 347002745 /nfs/dbraw/zinc/00/27/45/347002745.db2.gz RSKLJOOCPTZEPZ-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H](C)[N@H+](C)CCC(C)(C)CC ZINC000608492137 347003652 /nfs/dbraw/zinc/00/36/52/347003652.db2.gz GXEODPSWWLTFQN-GFCCVEGCSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@H](C)[N@H+](C)CCC(C)(C)CC ZINC000608492138 347003581 /nfs/dbraw/zinc/00/35/81/347003581.db2.gz GXEODPSWWLTFQN-LBPRGKRZSA-N 1 0 199.382 3.933 20 0 AHADRO CCCCC[N@H+](CC1CCC1)C(C)C ZINC000608492223 347003176 /nfs/dbraw/zinc/00/31/76/347003176.db2.gz JBARYJCFHBDKNM-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCC[N@H+](CCC1CC1)C(C)C ZINC000608492230 347003405 /nfs/dbraw/zinc/00/34/05/347003405.db2.gz MIVBANUJONNZFH-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)C[N@H+](CC)CCC1CC1 ZINC000608492308 347003323 /nfs/dbraw/zinc/00/33/23/347003323.db2.gz HRRMLUQNOIBJJU-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC[N@H+](CCC(C)(C)CC)CC(C)C ZINC000608492329 347003118 /nfs/dbraw/zinc/00/31/18/347003118.db2.gz LBEXPLCIHKISIM-UHFFFAOYSA-N 1 0 199.382 3.791 20 0 AHADRO CCC(CC)C[N@H+](CC)CC1CCC1 ZINC000608492340 347003425 /nfs/dbraw/zinc/00/34/25/347003425.db2.gz NRQYOAOJYFCNOB-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)CC[N@H+](C(C)C)C1CC1 ZINC000608492527 347003364 /nfs/dbraw/zinc/00/33/64/347003364.db2.gz ORLLGIDXVCISFV-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(C)(C)CC[N@H+](C)CCC(C)C ZINC000608493026 347004120 /nfs/dbraw/zinc/00/41/20/347004120.db2.gz WYCOSTUEIDPVNX-UHFFFAOYSA-N 1 0 199.382 3.791 20 0 AHADRO CCC(C)(C)CC[N@H+](C)CC(C)(C)C ZINC000608494197 347005481 /nfs/dbraw/zinc/00/54/81/347005481.db2.gz NKQMRPUCMHVXKE-UHFFFAOYSA-N 1 0 199.382 3.791 20 0 AHADRO CC[C@@H]1CCC[N@@H+]1CCC(C)(C)CC ZINC000608494475 347005011 /nfs/dbraw/zinc/00/50/11/347005011.db2.gz FHCRLLHFDNHANN-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H]1CCC[N@@H+]1CCC(C)(C)CC ZINC000608494479 347005294 /nfs/dbraw/zinc/00/52/94/347005294.db2.gz FHCRLLHFDNHANN-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(C)(C)CC[N@@H+]1CCCC1(C)C ZINC000608494870 347005164 /nfs/dbraw/zinc/00/51/64/347005164.db2.gz GBQYHZHQLBMQFG-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H](C)C[N@H+](C)CCC(C)(C)CC ZINC000608497049 347006393 /nfs/dbraw/zinc/00/63/93/347006393.db2.gz WEKKSWJUJWHPTH-GFCCVEGCSA-N 1 0 199.382 3.791 20 0 AHADRO CC[C@H](C)C[N@H+](C)CCC(C)(C)CC ZINC000608497051 347005923 /nfs/dbraw/zinc/00/59/23/347005923.db2.gz WEKKSWJUJWHPTH-LBPRGKRZSA-N 1 0 199.382 3.791 20 0 AHADRO CC[N@H+](CCC(C)(C)CC)CC1CC1 ZINC000608497293 347006486 /nfs/dbraw/zinc/00/64/86/347006486.db2.gz FHOFMJVBICYDAQ-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)CC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000608497509 347006289 /nfs/dbraw/zinc/00/62/89/347006289.db2.gz BLZDSDMGGIURQH-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)CC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000608497511 347006124 /nfs/dbraw/zinc/00/61/24/347006124.db2.gz BLZDSDMGGIURQH-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)CC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000608497512 347005967 /nfs/dbraw/zinc/00/59/67/347005967.db2.gz BLZDSDMGGIURQH-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)CC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000608497513 347006170 /nfs/dbraw/zinc/00/61/70/347006170.db2.gz BLZDSDMGGIURQH-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC[NH+]1CCC(C(C)C)CC1 ZINC000608499376 347008073 /nfs/dbraw/zinc/00/80/73/347008073.db2.gz CCZXOKIFNKJAKI-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCCCC[NH+]1C2CCCC1CCC2 ZINC000608499781 347008311 /nfs/dbraw/zinc/00/83/11/347008311.db2.gz ZTIPWAJXYHSPRE-UHFFFAOYSA-N 1 0 195.350 3.584 20 0 AHADRO CCC[N@H+](CCC(C)(C)CC)C1CC1 ZINC000608500553 347008371 /nfs/dbraw/zinc/00/83/71/347008371.db2.gz IAKXWWYHLFLYIH-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](CCC(C)(C)CC)C1CCC1 ZINC000608501656 347009105 /nfs/dbraw/zinc/00/91/05/347009105.db2.gz DRNOZHQLKCBGFW-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC000608508095 347009824 /nfs/dbraw/zinc/00/98/24/347009824.db2.gz YLILQWXAEZRGMH-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC000608508096 347009950 /nfs/dbraw/zinc/00/99/50/347009950.db2.gz YLILQWXAEZRGMH-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)CC[N@@H+]1CCC(C)(C)C1 ZINC000608508553 347009891 /nfs/dbraw/zinc/00/98/91/347009891.db2.gz VEYNKLLNLUKFHC-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@]1(C)CCC[N@H+](CC(C)C)C1 ZINC000608510835 347009588 /nfs/dbraw/zinc/00/95/88/347009588.db2.gz JXEOOXHEXKTKSS-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@]1(C)CCC[N@H+](CC(C)C)C1 ZINC000608510836 347009863 /nfs/dbraw/zinc/00/98/63/347009863.db2.gz JXEOOXHEXKTKSS-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO C[C@@H]1CC[C@H](C)C[N@H+]1CCC(C)(C)C ZINC000608511188 347010587 /nfs/dbraw/zinc/01/05/87/347010587.db2.gz BCDNMOJAZRGHBP-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC000608511189 347010721 /nfs/dbraw/zinc/01/07/21/347010721.db2.gz BCDNMOJAZRGHBP-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC000608511190 347010799 /nfs/dbraw/zinc/01/07/99/347010799.db2.gz BCDNMOJAZRGHBP-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)CC[N@H+](C)C(C)(C)CC ZINC000608563209 347011547 /nfs/dbraw/zinc/01/15/47/347011547.db2.gz FRWDSIVUKOBXBQ-UHFFFAOYSA-N 1 0 199.382 3.933 20 0 AHADRO CCCCC[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000608746435 347013025 /nfs/dbraw/zinc/01/30/25/347013025.db2.gz IFQPHVGYATYFDQ-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CCCCC[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000608746437 347013377 /nfs/dbraw/zinc/01/33/77/347013377.db2.gz IFQPHVGYATYFDQ-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(C)(C)C ZINC000608752328 347013284 /nfs/dbraw/zinc/01/32/84/347013284.db2.gz GPBCYKRZSMERRC-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(C)(C)C ZINC000608752329 347012920 /nfs/dbraw/zinc/01/29/20/347012920.db2.gz GPBCYKRZSMERRC-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(C)(C)C ZINC000608752330 347013223 /nfs/dbraw/zinc/01/32/23/347013223.db2.gz GPBCYKRZSMERRC-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(C)(C)C ZINC000608752331 347013308 /nfs/dbraw/zinc/01/33/08/347013308.db2.gz GPBCYKRZSMERRC-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC[N@H+](CCC(C)C)C(C)C ZINC000613408345 371866245 /nfs/dbraw/zinc/86/62/45/371866245.db2.gz HHNWWGHSCMAWEX-UHFFFAOYSA-N 1 0 199.382 3.933 20 0 AHADRO CCCCC[N@H+](CC=C(C)C)C(C)C ZINC000613408402 371865707 /nfs/dbraw/zinc/86/57/07/371865707.db2.gz IUJBIBINXYEWCO-UHFFFAOYSA-N 1 0 197.366 3.853 20 0 AHADRO CCC(CC)C[N@H+](CC)CC=C(C)C ZINC000613423289 347059417 /nfs/dbraw/zinc/05/94/17/347059417.db2.gz IBQBCJZAQMFZPO-UHFFFAOYSA-N 1 0 197.366 3.711 20 0 AHADRO C[C@H]1C[C@H]([NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000616570115 347098181 /nfs/dbraw/zinc/09/81/81/347098181.db2.gz CDFJQKKUAYPBKH-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@H]1C[C@@H]([NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000616570121 347098059 /nfs/dbraw/zinc/09/80/59/347098059.db2.gz CDFJQKKUAYPBKH-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[N@H+](CC1CCCCC1)C(C)C ZINC000618497944 347190885 /nfs/dbraw/zinc/19/08/85/347190885.db2.gz CWVMFBXRBMKLRC-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)[N@H+](CCC(C)C)C1CC1 ZINC000620119249 347210372 /nfs/dbraw/zinc/21/03/72/347210372.db2.gz RFXKGQURMQIMRJ-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](CC=C(C)C)C1CC1 ZINC000620119527 347210319 /nfs/dbraw/zinc/21/03/19/347210319.db2.gz JQABYKBBXZKLIB-UHFFFAOYSA-N 1 0 195.350 3.606 20 0 AHADRO C[C@@H]([N@H+](C)CC1CCCC1)C(C)(C)C ZINC000620443124 347213970 /nfs/dbraw/zinc/21/39/70/347213970.db2.gz PJJBFUBWWSXZND-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]([N@H+](C)CC1CCCC1)C(C)(C)C ZINC000620443125 347213821 /nfs/dbraw/zinc/21/38/21/347213821.db2.gz PJJBFUBWWSXZND-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](CC1CCCC1)[C@H](C)C(C)C ZINC000620807844 347217348 /nfs/dbraw/zinc/21/73/48/347217348.db2.gz IDOUSAJTYXOVAF-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](CC1CCCC1)[C@@H](C)C(C)C ZINC000620807845 347217682 /nfs/dbraw/zinc/21/76/82/347217682.db2.gz IDOUSAJTYXOVAF-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CCC(C)C)C1CCCC1 ZINC000621292799 347224843 /nfs/dbraw/zinc/22/48/43/347224843.db2.gz TXMKSYAAMBZPRI-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CC(C)C)C1CCCC1 ZINC000621314537 347225638 /nfs/dbraw/zinc/22/56/38/347225638.db2.gz BFQPURSVHMGMSG-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC(C)C)CC1CCCC1 ZINC000621732963 347231672 /nfs/dbraw/zinc/23/16/72/347231672.db2.gz DNRLEFJADMDQNN-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000622260944 347240822 /nfs/dbraw/zinc/24/08/22/347240822.db2.gz SQJJCBDJUOOKDK-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000622260945 347241030 /nfs/dbraw/zinc/24/10/30/347241030.db2.gz SQJJCBDJUOOKDK-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000622278540 347242446 /nfs/dbraw/zinc/24/24/46/347242446.db2.gz SHFOGLAFABWDPC-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000622278541 347242236 /nfs/dbraw/zinc/24/22/36/347242236.db2.gz SHFOGLAFABWDPC-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)C[NH+](CC(C)C)C1CCCC1 ZINC000642233845 347591630 /nfs/dbraw/zinc/59/16/30/347591630.db2.gz UKWHJKKVAZZKQT-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@H+](C)CC1CCCCC1 ZINC000642252312 347592282 /nfs/dbraw/zinc/59/22/82/347592282.db2.gz SXXZIBALPJGNMN-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC000642253360 347592211 /nfs/dbraw/zinc/59/22/11/347592211.db2.gz DOCAUEJFBGJARR-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC000642253361 347592013 /nfs/dbraw/zinc/59/20/13/347592013.db2.gz DOCAUEJFBGJARR-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO C[C@@H]1C[C@@H]([NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000642339350 347594041 /nfs/dbraw/zinc/59/40/41/347594041.db2.gz CDFJQKKUAYPBKH-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]1C[C@H]([NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000642339351 347593868 /nfs/dbraw/zinc/59/38/68/347593868.db2.gz CDFJQKKUAYPBKH-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO CCCC1CCC([NH2+]C(C)(C)C)CC1 ZINC000642339368 347594067 /nfs/dbraw/zinc/59/40/67/347594067.db2.gz KUSBXLTXGMCQNC-UHFFFAOYSA-N 1 0 197.366 3.733 20 0 AHADRO CCC[NH+](CCC)[C@@H]1CCC[C@@H](C)C1 ZINC000642348253 347593935 /nfs/dbraw/zinc/59/39/35/347593935.db2.gz SDOMQFTYTYMLMR-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@H]1CCC[C@@H](C)C1 ZINC000642348258 347593996 /nfs/dbraw/zinc/59/39/96/347593996.db2.gz SDOMQFTYTYMLMR-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@@H]1CCC[C@H](C)C1 ZINC000642348259 347594092 /nfs/dbraw/zinc/59/40/92/347594092.db2.gz SDOMQFTYTYMLMR-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@H]1CCC[C@H](C)C1 ZINC000642348261 347594100 /nfs/dbraw/zinc/59/41/00/347594100.db2.gz SDOMQFTYTYMLMR-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](CC(C)C)CC1CCCCC1 ZINC000642527031 347595207 /nfs/dbraw/zinc/59/52/07/347595207.db2.gz XTMCDBFGRIBWNT-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)C[C@@H](C)[N@H+](C)CC1CCCC1 ZINC000642621278 347597346 /nfs/dbraw/zinc/59/73/46/347597346.db2.gz JQZMITLCJPBBKZ-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[C@H](C)[N@H+](C)CC1CCCC1 ZINC000642621279 347597385 /nfs/dbraw/zinc/59/73/85/347597385.db2.gz JQZMITLCJPBBKZ-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@H+](C1CC1)C1CCCCC1 ZINC000642634138 347597191 /nfs/dbraw/zinc/59/71/91/347597191.db2.gz UQDSHVZNZXTVDO-UHFFFAOYSA-N 1 0 195.350 3.584 20 0 AHADRO CC(C)CC[NH+](CCC(C)C)C1CC1 ZINC000642634714 347598326 /nfs/dbraw/zinc/59/83/26/347598326.db2.gz NBPGPNCOKRRLGW-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000642636185 347598001 /nfs/dbraw/zinc/59/80/01/347598001.db2.gz NHMAIWXSXHGAPF-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000642636186 347598087 /nfs/dbraw/zinc/59/80/87/347598087.db2.gz NHMAIWXSXHGAPF-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000642636187 347598187 /nfs/dbraw/zinc/59/81/87/347598187.db2.gz NHMAIWXSXHGAPF-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000642636188 347598161 /nfs/dbraw/zinc/59/81/61/347598161.db2.gz NHMAIWXSXHGAPF-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000643255323 352942653 /nfs/dbraw/zinc/94/26/53/352942653.db2.gz UWNDPSLSIRIJLS-JTQLQIEISA-N 1 0 197.347 3.539 20 0 AHADRO CC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000643255324 352942249 /nfs/dbraw/zinc/94/22/49/352942249.db2.gz UWNDPSLSIRIJLS-SNVBAGLBSA-N 1 0 197.347 3.539 20 0 AHADRO CC[N@H+](CC(C)(C)C)CC1(C)CCC1 ZINC000643355437 352949301 /nfs/dbraw/zinc/94/93/01/352949301.db2.gz XRSQDVBVUMXZDO-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCCCC[NH+](C1CCC1)C1CCC1 ZINC000644784823 371905814 /nfs/dbraw/zinc/90/58/14/371905814.db2.gz BMJDNLAFPCBMDX-UHFFFAOYSA-N 1 0 195.350 3.584 20 0 AHADRO CCC(CC)[N@H+](CC)CC1(C)CCC1 ZINC000645005412 371938848 /nfs/dbraw/zinc/93/88/48/371938848.db2.gz MUDLTGRGFAFAHX-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC)[C@@H]1C=CCCCCC1 ZINC000645080413 371940668 /nfs/dbraw/zinc/94/06/68/371940668.db2.gz MDUDXKUFJBMLBN-CYBMUJFWSA-N 1 0 195.350 3.607 20 0 AHADRO CCC[N@H+](CC)[C@H]1C=CCCCCC1 ZINC000645080414 371941523 /nfs/dbraw/zinc/94/15/23/371941523.db2.gz MDUDXKUFJBMLBN-ZDUSSCGKSA-N 1 0 195.350 3.607 20 0 AHADRO CC(C)[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000645091335 371943832 /nfs/dbraw/zinc/94/38/32/371943832.db2.gz OVLKOFLZVBWOEB-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000645091336 371942790 /nfs/dbraw/zinc/94/27/90/371942790.db2.gz OVLKOFLZVBWOEB-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO C[N@H+](CCC1=CCCCC1)C(C)(C)C ZINC000646088740 375575591 /nfs/dbraw/zinc/57/55/91/375575591.db2.gz UCKASADJTKIIMV-UHFFFAOYSA-N 1 0 195.350 3.607 20 0 AHADRO CC1=CC[C@@H]([NH2+]CCC(C)(C)C)CC1 ZINC000646123895 375577833 /nfs/dbraw/zinc/57/78/33/375577833.db2.gz FUZDHDBZUGQLOC-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CC1=CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC000646123902 375577547 /nfs/dbraw/zinc/57/75/47/375577547.db2.gz FUZDHDBZUGQLOC-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[C@@H]([NH2+][C@@H](C)C1CC1)C(C)(C)C ZINC000648719445 375737451 /nfs/dbraw/zinc/73/74/51/375737451.db2.gz CFVBVBZNRUHNAG-CMPLNLGQSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H]([NH2+][C@@H](C)C1CC1)C(C)(C)C ZINC000648719446 375737430 /nfs/dbraw/zinc/73/74/30/375737430.db2.gz CFVBVBZNRUHNAG-JQWIXIFHSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@H]([NH2+][C@H](C)C1CC1)C(C)(C)C ZINC000648719447 375737267 /nfs/dbraw/zinc/73/72/67/375737267.db2.gz CFVBVBZNRUHNAG-PWSUYJOCSA-N 1 0 197.366 3.589 20 0 AHADRO CCC[C@@H]([NH2+][C@H](C)C1CC1)C(C)(C)C ZINC000648719448 375737212 /nfs/dbraw/zinc/73/72/12/375737212.db2.gz CFVBVBZNRUHNAG-ZYHUDNBSSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000651264123 409324953 /nfs/dbraw/zinc/32/49/53/409324953.db2.gz KYSLWMLTAFNNNX-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000651264124 409324845 /nfs/dbraw/zinc/32/48/45/409324845.db2.gz KYSLWMLTAFNNNX-NWDGAFQWSA-N 1 0 195.350 3.509 20 0 AHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000651264125 409324462 /nfs/dbraw/zinc/32/44/62/409324462.db2.gz KYSLWMLTAFNNNX-RYUDHWBXSA-N 1 0 195.350 3.509 20 0 AHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000651264126 409323745 /nfs/dbraw/zinc/32/37/45/409323745.db2.gz KYSLWMLTAFNNNX-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO CCC1([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000651396624 409328218 /nfs/dbraw/zinc/32/82/18/409328218.db2.gz VWBQGAGNIPBKNH-GFCCVEGCSA-N 1 0 195.350 3.654 20 0 AHADRO CCC1([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000651396625 409328732 /nfs/dbraw/zinc/32/87/32/409328732.db2.gz VWBQGAGNIPBKNH-LBPRGKRZSA-N 1 0 195.350 3.654 20 0 AHADRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1CC1 ZINC000658115778 409507091 /nfs/dbraw/zinc/50/70/91/409507091.db2.gz WDWRQGJJJPWKJT-CMPLNLGQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1CC1 ZINC000658115779 409507687 /nfs/dbraw/zinc/50/76/87/409507687.db2.gz WDWRQGJJJPWKJT-JQWIXIFHSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1CC1 ZINC000658115781 409507172 /nfs/dbraw/zinc/50/71/72/409507172.db2.gz WDWRQGJJJPWKJT-PWSUYJOCSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1CC1 ZINC000658115782 409507572 /nfs/dbraw/zinc/50/75/72/409507572.db2.gz WDWRQGJJJPWKJT-ZYHUDNBSSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)CC1CC1 ZINC000658115852 409507603 /nfs/dbraw/zinc/50/76/03/409507603.db2.gz WXEYCXOSXRNPJU-GHMZBOCLSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)CC1CC1 ZINC000658115854 409507268 /nfs/dbraw/zinc/50/72/68/409507268.db2.gz WXEYCXOSXRNPJU-MNOVXSKESA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000658115855 409507229 /nfs/dbraw/zinc/50/72/29/409507229.db2.gz WXEYCXOSXRNPJU-QWRGUYRKSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)CC1CC1 ZINC000658115856 409506932 /nfs/dbraw/zinc/50/69/32/409506932.db2.gz WXEYCXOSXRNPJU-WDEREUQCSA-N 1 0 197.366 3.589 20 0 AHADRO CCC(C)(C)[C@@H](C)[NH2+]CC1=CCCC1 ZINC000658291490 409513411 /nfs/dbraw/zinc/51/34/11/409513411.db2.gz QZUZIMRPRKSCLA-LLVKDONJSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(C)(C)[C@H](C)[NH2+]CC1=CCCC1 ZINC000658291491 409513699 /nfs/dbraw/zinc/51/36/99/409513699.db2.gz QZUZIMRPRKSCLA-NSHDSACASA-N 1 0 195.350 3.511 20 0 AHADRO CC(C)=CCC[N@@H+](C(C)C)C1CCC1 ZINC000660079929 409579817 /nfs/dbraw/zinc/57/98/17/409579817.db2.gz URGAESNSTYOORP-UHFFFAOYSA-N 1 0 195.350 3.606 20 0 AHADRO CCC(CC)(CC)[NH2+]CC1CC=CC1 ZINC000660081081 409581653 /nfs/dbraw/zinc/58/16/53/409581653.db2.gz IVXMHZZWSKBEQE-UHFFFAOYSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1C=CCCC1 ZINC000661232041 409637454 /nfs/dbraw/zinc/63/74/54/409637454.db2.gz ABQKLRRLVVPGMB-NEPJUHHUSA-N 1 0 195.350 3.509 20 0 AHADRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000661232044 409638878 /nfs/dbraw/zinc/63/88/78/409638878.db2.gz ABQKLRRLVVPGMB-NWDGAFQWSA-N 1 0 195.350 3.509 20 0 AHADRO CCC(C)(C)[C@H](C)[NH2+][C@H]1C=CCCC1 ZINC000661232045 409636154 /nfs/dbraw/zinc/63/61/54/409636154.db2.gz ABQKLRRLVVPGMB-RYUDHWBXSA-N 1 0 195.350 3.509 20 0 AHADRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1C=CCCC1 ZINC000661232046 409637423 /nfs/dbraw/zinc/63/74/23/409637423.db2.gz ABQKLRRLVVPGMB-VXGBXAGGSA-N 1 0 195.350 3.509 20 0 AHADRO CC(C)=CCC[NH2+]C1(CC(C)C)CC1 ZINC000662066133 409685642 /nfs/dbraw/zinc/68/56/42/409685642.db2.gz DCFPRLWSCHERKB-UHFFFAOYSA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C/CC[NH2+]C1(CC(C)C)CC1 ZINC000662072365 409685291 /nfs/dbraw/zinc/68/52/91/409685291.db2.gz RBXAOAHSJRPKAS-AATRIKPKSA-N 1 0 195.350 3.511 20 0 AHADRO CC/C=C\CC[NH2+]C1(CC(C)C)CC1 ZINC000662072366 409685475 /nfs/dbraw/zinc/68/54/75/409685475.db2.gz RBXAOAHSJRPKAS-WAYWQWQTSA-N 1 0 195.350 3.511 20 0 AHADRO C[C@H](C[N@H+](C)C1CCCC1)C(C)(C)C ZINC000670261982 486737407 /nfs/dbraw/zinc/73/74/07/486737407.db2.gz WOPCLOWEEBIJBT-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](C[N@H+](C)C1CCCC1)C(C)(C)C ZINC000670261983 486737365 /nfs/dbraw/zinc/73/73/65/486737365.db2.gz WOPCLOWEEBIJBT-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](C[C@@H](C)C(C)(C)C)C1CC1 ZINC000670262251 486738744 /nfs/dbraw/zinc/73/87/44/486738744.db2.gz ORACXEGZZRROBF-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](C[C@H](C)C(C)(C)C)C1CC1 ZINC000670262252 486738098 /nfs/dbraw/zinc/73/80/98/486738098.db2.gz ORACXEGZZRROBF-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)[N@H+](C[C@@H](C)C(C)(C)C)C1CC1 ZINC000670262408 486738385 /nfs/dbraw/zinc/73/83/85/486738385.db2.gz RDKCPVFGQMIIAJ-LLVKDONJSA-N 1 0 197.366 3.541 20 0 AHADRO CC(C)[N@H+](C[C@H](C)C(C)(C)C)C1CC1 ZINC000670262409 486738140 /nfs/dbraw/zinc/73/81/40/486738140.db2.gz RDKCPVFGQMIIAJ-NSHDSACASA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H]1CCC[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000670262825 486737985 /nfs/dbraw/zinc/73/79/85/486737985.db2.gz SRPYFTURFNDLNN-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1CCC[N@@H+]1C[C@H](C)C(C)(C)C ZINC000670262826 486738480 /nfs/dbraw/zinc/73/84/80/486738480.db2.gz SRPYFTURFNDLNN-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1CCC[N@@H+]1C[C@H](C)C(C)(C)C ZINC000670262827 486738590 /nfs/dbraw/zinc/73/85/90/486738590.db2.gz SRPYFTURFNDLNN-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1CCC[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000670262828 486738316 /nfs/dbraw/zinc/73/83/16/486738316.db2.gz SRPYFTURFNDLNN-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](C[C@@H](C)C(C)(C)C)C1CCC1 ZINC000670264653 486738535 /nfs/dbraw/zinc/73/85/35/486738535.db2.gz JRZYUSIOLFYJDE-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](C[C@H](C)C(C)(C)C)C1CCC1 ZINC000670264654 486738327 /nfs/dbraw/zinc/73/83/27/486738327.db2.gz JRZYUSIOLFYJDE-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H](C[NH+]1[C@H](C)CC[C@H]1C)C(C)(C)C ZINC000670265712 486738487 /nfs/dbraw/zinc/73/84/87/486738487.db2.gz WNCYXOVLWZFENZ-IJLUTSLNSA-N 1 0 197.366 3.541 20 0 AHADRO C[C@@H](C[NH+]1[C@H](C)CC[C@H]1C)C(C)(C)C ZINC000670265713 486738682 /nfs/dbraw/zinc/73/86/82/486738682.db2.gz WNCYXOVLWZFENZ-QJPTWQEYSA-N 1 0 197.366 3.541 20 0 AHADRO C[C@@H](C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)(C)C ZINC000670265714 486738185 /nfs/dbraw/zinc/73/81/85/486738185.db2.gz WNCYXOVLWZFENZ-SDDRHHMPSA-N 1 0 197.366 3.541 20 0 AHADRO C[C@H](C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)(C)C ZINC000670265715 486738821 /nfs/dbraw/zinc/73/88/21/486738821.db2.gz WNCYXOVLWZFENZ-UTUOFQBUSA-N 1 0 197.366 3.541 20 0 AHADRO CCCC[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000670989235 486741248 /nfs/dbraw/zinc/74/12/48/486741248.db2.gz NYYDPWBXTYKVFD-CYBMUJFWSA-N 1 0 195.350 3.607 20 0 AHADRO CCCC[N@H+](C)[C@H]1C=CCCCCC1 ZINC000670989236 486741527 /nfs/dbraw/zinc/74/15/27/486741527.db2.gz NYYDPWBXTYKVFD-ZDUSSCGKSA-N 1 0 195.350 3.607 20 0 AHADRO C[C@H](CCC(C)(C)C)[NH2+]C1(C)CCC1 ZINC000671298903 486747388 /nfs/dbraw/zinc/74/73/88/486747388.db2.gz QEKFBGOFXIIVQQ-LLVKDONJSA-N 1 0 197.366 3.733 20 0 AHADRO C[C@@H](CCC(C)(C)C)[NH2+]C1(C)CCC1 ZINC000671298910 486747395 /nfs/dbraw/zinc/74/73/95/486747395.db2.gz QEKFBGOFXIIVQQ-NSHDSACASA-N 1 0 197.366 3.733 20 0 AHADRO CC(C)=CC[N@@H+](C)C1CCCCCC1 ZINC000671308736 486747863 /nfs/dbraw/zinc/74/78/63/486747863.db2.gz WVRXJMAAMDFUKQ-UHFFFAOYSA-N 1 0 195.350 3.607 20 0 AHADRO CC(C)CC[N@H+](C)C1CCC(C)CC1 ZINC000673084745 486772720 /nfs/dbraw/zinc/77/27/20/486772720.db2.gz CMEDNGQKTONHAS-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@H+](C)C1CCCCCC1 ZINC000673093303 486772876 /nfs/dbraw/zinc/77/28/76/486772876.db2.gz ICYIKQJCKVKGDI-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO C[C@@H]([N@H+](C)CCC(C)(C)C)C1(C)CC1 ZINC000674507955 486805094 /nfs/dbraw/zinc/80/50/94/486805094.db2.gz SMWWHOIBLOLEFA-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]([N@H+](C)CCC(C)(C)C)C1(C)CC1 ZINC000674507956 486805130 /nfs/dbraw/zinc/80/51/30/486805130.db2.gz SMWWHOIBLOLEFA-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)=CC[NH+](CC(C)C)CC(C)C ZINC000674670066 486807712 /nfs/dbraw/zinc/80/77/12/486807712.db2.gz ZPMXGFZDAMFPBQ-UHFFFAOYSA-N 1 0 197.366 3.567 20 0 AHADRO CC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC000674694465 486809426 /nfs/dbraw/zinc/80/94/26/486809426.db2.gz YQWFSDUCQAVWDC-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC000674694466 486809521 /nfs/dbraw/zinc/80/95/21/486809521.db2.gz YQWFSDUCQAVWDC-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)CC1CCCCC1 ZINC000674713698 486809507 /nfs/dbraw/zinc/80/95/07/486809507.db2.gz QNHVSSPWNQTHIC-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCCC[N@H+](CC)C1CCCCC1 ZINC000674743593 486809210 /nfs/dbraw/zinc/80/92/10/486809210.db2.gz HZMROFMRXRZFNM-UHFFFAOYSA-N 1 0 197.366 3.831 20 0 AHADRO CC[N@H+](CCC(C)C)C1CCCCC1 ZINC000674743932 486809567 /nfs/dbraw/zinc/80/95/67/486809567.db2.gz UOYBDCMITAABAC-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](CC=C(C)C)C1CCCCC1 ZINC000674743980 486809274 /nfs/dbraw/zinc/80/92/74/486809274.db2.gz XCSBPUPSXBJSIZ-UHFFFAOYSA-N 1 0 195.350 3.607 20 0 AHADRO CCC(CC)(CC)[NH2+][C@@H]1C=CCCC1 ZINC000674755665 486810191 /nfs/dbraw/zinc/81/01/91/486810191.db2.gz YEDWLJRDCNUNLG-GFCCVEGCSA-N 1 0 195.350 3.654 20 0 AHADRO CCC(CC)(CC)[NH2+][C@H]1C=CCCC1 ZINC000674755667 486811178 /nfs/dbraw/zinc/81/11/78/486811178.db2.gz YEDWLJRDCNUNLG-LBPRGKRZSA-N 1 0 195.350 3.654 20 0 AHADRO CCCC[N@H+](CC)CC1CCCCC1 ZINC000674767094 486812132 /nfs/dbraw/zinc/81/21/32/486812132.db2.gz ZHLMBKBXOGSUNP-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC[C@@H](C)C[N@H+]([C@@H](C)C(C)C)C1CC1 ZINC000674861085 486815437 /nfs/dbraw/zinc/81/54/37/486815437.db2.gz ZWZKZTYIBYCDAG-NEPJUHHUSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)C[N@H+]([C@H](C)C(C)C)C1CC1 ZINC000674861086 486815207 /nfs/dbraw/zinc/81/52/07/486815207.db2.gz ZWZKZTYIBYCDAG-NWDGAFQWSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)C[N@H+]([C@@H](C)C(C)C)C1CC1 ZINC000674861091 486815789 /nfs/dbraw/zinc/81/57/89/486815789.db2.gz ZWZKZTYIBYCDAG-RYUDHWBXSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@@H](C)C[N@H+]([C@H](C)C(C)C)C1CC1 ZINC000674861094 486815632 /nfs/dbraw/zinc/81/56/32/486815632.db2.gz ZWZKZTYIBYCDAG-VXGBXAGGSA-N 1 0 197.366 3.541 20 0 AHADRO CCC(CC)[N@@H+](C[C@H](C)CC)C1CC1 ZINC000674861209 486815822 /nfs/dbraw/zinc/81/58/22/486815822.db2.gz NLTAUVQKGFNSBQ-LLVKDONJSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@@H+](C[C@@H](C)CC)C1CC1 ZINC000674861210 486815863 /nfs/dbraw/zinc/81/58/63/486815863.db2.gz NLTAUVQKGFNSBQ-NSHDSACASA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](C)C[N@H+](C(C)C)C1CCCC1 ZINC000674863230 486816916 /nfs/dbraw/zinc/81/69/16/486816916.db2.gz ZSYYFNODBOESCY-GFCCVEGCSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H](C)C[N@H+](C(C)C)C1CCCC1 ZINC000674863231 486816650 /nfs/dbraw/zinc/81/66/50/486816650.db2.gz ZSYYFNODBOESCY-LBPRGKRZSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](CC(C)C)CC1CC1 ZINC000675640335 486847088 /nfs/dbraw/zinc/84/70/88/486847088.db2.gz XDSISBAKHCDEEZ-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C1CCC([NH2+]C(C)(C)C)CC1 ZINC000675938644 486852080 /nfs/dbraw/zinc/85/20/80/486852080.db2.gz CIZPTBYEKUMQCA-UHFFFAOYSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC(CC(C)C)[NH2+]C(C)(C)C ZINC000675938866 486852597 /nfs/dbraw/zinc/85/25/97/486852597.db2.gz LCHXEWOCPKNRGU-UHFFFAOYSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@@H](C)C[C@@H](CC)[NH2+]C(C)(C)C ZINC000675939237 486853399 /nfs/dbraw/zinc/85/33/99/486853399.db2.gz ZAVOJQSLXRKEPL-GHMZBOCLSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](C)C[C@H](CC)[NH2+]C(C)(C)C ZINC000675939238 486853628 /nfs/dbraw/zinc/85/36/28/486853628.db2.gz ZAVOJQSLXRKEPL-MNOVXSKESA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C)C[C@H](CC)[NH2+]C(C)(C)C ZINC000675939239 486853513 /nfs/dbraw/zinc/85/35/13/486853513.db2.gz ZAVOJQSLXRKEPL-QWRGUYRKSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](C[C@@H](C)CC)[NH2+]C(C)(C)C ZINC000675939240 486853594 /nfs/dbraw/zinc/85/35/94/486853594.db2.gz ZAVOJQSLXRKEPL-WDEREUQCSA-N 1 0 185.355 3.589 20 0 AHADRO CCC(C)(C)CC[N@H+](C)CCC1CC1 ZINC000676716229 486869424 /nfs/dbraw/zinc/86/94/24/486869424.db2.gz SOUBDWOODAOTTO-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(C)C ZINC000676740968 486869335 /nfs/dbraw/zinc/86/93/35/486869335.db2.gz GREZLUSMDHLXGX-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000676740969 486869309 /nfs/dbraw/zinc/86/93/09/486869309.db2.gz GREZLUSMDHLXGX-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)[N@H+](CC)[C@@H]1C=CCCC1 ZINC000677232430 486880965 /nfs/dbraw/zinc/88/09/65/486880965.db2.gz MRDGYEDEPGMJEM-CYBMUJFWSA-N 1 0 195.350 3.606 20 0 AHADRO CCC(CC)[N@H+](CC)[C@H]1C=CCCC1 ZINC000677232431 486880268 /nfs/dbraw/zinc/88/02/68/486880268.db2.gz MRDGYEDEPGMJEM-ZDUSSCGKSA-N 1 0 195.350 3.606 20 0 AHADRO CCCC[N@@H+]1CCCC12CCCCC2 ZINC000677568743 486889871 /nfs/dbraw/zinc/88/98/71/486889871.db2.gz DIRYUPOZJZGLFQ-UHFFFAOYSA-N 1 0 195.350 3.585 20 0 AHADRO CCC[C@@H](C)[N@H+](C)CC(CC)CC ZINC000678140293 486921339 /nfs/dbraw/zinc/92/13/39/486921339.db2.gz CZQKZQDUHOTUEY-LLVKDONJSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[C@H](C)[N@H+](C)CC(CC)CC ZINC000678140295 486921490 /nfs/dbraw/zinc/92/14/90/486921490.db2.gz CZQKZQDUHOTUEY-NSHDSACASA-N 1 0 185.355 3.543 20 0 AHADRO CCC(CC)C[N@H+](CC1CC1)C(C)C ZINC000678157127 486922904 /nfs/dbraw/zinc/92/29/04/486922904.db2.gz URUJVKFMLKUOSG-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@H+](C)C(C)(C)CC ZINC000678259160 486928632 /nfs/dbraw/zinc/92/86/32/486928632.db2.gz DTEBMUPCKTYMFA-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CCC(CC)C[N@H+](C(C)C)C1CCC1 ZINC000678277747 486930579 /nfs/dbraw/zinc/93/05/79/486930579.db2.gz ZGXDOVCPRWVQHF-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000678333730 486932523 /nfs/dbraw/zinc/93/25/23/486932523.db2.gz GPWXEOROAWTALB-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000678333741 486932477 /nfs/dbraw/zinc/93/24/77/486932477.db2.gz GPWXEOROAWTALB-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)C[N@H+](CC1CC1)C(C)C ZINC000678815966 486946782 /nfs/dbraw/zinc/94/67/82/486946782.db2.gz QZRJGOOUXBKLEF-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@H+](CC1CC1)C(C)C ZINC000678815967 486947006 /nfs/dbraw/zinc/94/70/06/486947006.db2.gz QZRJGOOUXBKLEF-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000678840254 486948039 /nfs/dbraw/zinc/94/80/39/486948039.db2.gz DOIRXCQXCXYAER-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000678840256 486947714 /nfs/dbraw/zinc/94/77/14/486947714.db2.gz DOIRXCQXCXYAER-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000678840417 486948450 /nfs/dbraw/zinc/94/84/50/486948450.db2.gz DOIRXCQXCXYAER-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000678840418 486948163 /nfs/dbraw/zinc/94/81/63/486948163.db2.gz DOIRXCQXCXYAER-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC[N@H+](C)C1CCC(C)CC1 ZINC000679581525 486965580 /nfs/dbraw/zinc/96/55/80/486965580.db2.gz NMOLWUTVPKDZEQ-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H]1CCCC[N@@H+]1CC=C(C)C ZINC000680433951 486985401 /nfs/dbraw/zinc/98/54/01/486985401.db2.gz DPLDCBZPQCHJQW-CYBMUJFWSA-N 1 0 195.350 3.607 20 0 AHADRO CCC[C@H]1CCCC[N@@H+]1CC=C(C)C ZINC000680433952 486985535 /nfs/dbraw/zinc/98/55/35/486985535.db2.gz DPLDCBZPQCHJQW-ZDUSSCGKSA-N 1 0 195.350 3.607 20 0 AHADRO CC[N@H+](CCC1CC1)CCC(C)(C)C ZINC000680636087 486990058 /nfs/dbraw/zinc/99/00/58/486990058.db2.gz NIIFGRDVWGNZCB-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC/C=C/CC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000681018623 487004883 /nfs/dbraw/zinc/00/48/83/487004883.db2.gz MJDSZILQZCPGFJ-BCPZQOPPSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C/CC[N@H+](C)[C@H](C)C(C)(C)C ZINC000681018625 487004408 /nfs/dbraw/zinc/00/44/08/487004408.db2.gz MJDSZILQZCPGFJ-IDVQTMNDSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C\CC[N@H+](C)[C@H](C)C(C)(C)C ZINC000681018628 487004835 /nfs/dbraw/zinc/00/48/35/487004835.db2.gz MJDSZILQZCPGFJ-JLVNDZCYSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C\CC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000681018631 487004799 /nfs/dbraw/zinc/00/47/99/487004799.db2.gz MJDSZILQZCPGFJ-LAUAKBEESA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C\CC[N@H+](C)C1CCCCC1 ZINC000681018669 487004701 /nfs/dbraw/zinc/00/47/01/487004701.db2.gz MOXCALPYYYLQOT-PLNGDYQASA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C/CC[N@H+](C)C1CCCCC1 ZINC000681018670 487004420 /nfs/dbraw/zinc/00/44/20/487004420.db2.gz MOXCALPYYYLQOT-SNAWJCMRSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C/CC[N@H+](CC)C1CCCC1 ZINC000681018960 487004909 /nfs/dbraw/zinc/00/49/09/487004909.db2.gz ILJSEPQWHKNZKP-AATRIKPKSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CC[N@H+](CC)C1CCCC1 ZINC000681018961 487004178 /nfs/dbraw/zinc/00/41/78/487004178.db2.gz ILJSEPQWHKNZKP-WAYWQWQTSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CC[N@H+](CC)[C@H](C)C(C)C ZINC000681019830 487004577 /nfs/dbraw/zinc/00/45/77/487004577.db2.gz PBPVVRALEFJJAF-LJTDUEICSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C/CC[N@H+](CC)[C@H](C)C(C)C ZINC000681019831 487004931 /nfs/dbraw/zinc/00/49/31/487004931.db2.gz PBPVVRALEFJJAF-MMQHEFTJSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C/CC[N@H+](CC)[C@@H](C)C(C)C ZINC000681019832 487004272 /nfs/dbraw/zinc/00/42/72/487004272.db2.gz PBPVVRALEFJJAF-XEHSLEBBSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C\CC[N@H+](CC)[C@@H](C)C(C)C ZINC000681019833 487004201 /nfs/dbraw/zinc/00/42/01/487004201.db2.gz PBPVVRALEFJJAF-YXVBKTCISA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C\CC[N@@H+](CCCC)C1CC1 ZINC000681020192 487005737 /nfs/dbraw/zinc/00/57/37/487005737.db2.gz WFCCICBVUAMOHW-ALCCZGGFSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C/CC[N@@H+](CCCC)C1CC1 ZINC000681020193 487005991 /nfs/dbraw/zinc/00/59/91/487005991.db2.gz WFCCICBVUAMOHW-FNORWQNLSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C/CC[N@H+](CC(C)C)C(C)C ZINC000681020394 487005818 /nfs/dbraw/zinc/00/58/18/487005818.db2.gz XMNBQOOMROKITM-BQYQJAHWSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C\CC[N@H+](CC(C)C)C(C)C ZINC000681020395 487005917 /nfs/dbraw/zinc/00/59/17/487005917.db2.gz XMNBQOOMROKITM-FPLPWBNLSA-N 1 0 197.366 3.709 20 0 AHADRO CC/C=C/CC[N@H+](C(C)C)C1CCC1 ZINC000681024108 487006815 /nfs/dbraw/zinc/00/68/15/487006815.db2.gz DJJNIQJIWGRBFJ-AATRIKPKSA-N 1 0 195.350 3.606 20 0 AHADRO CC/C=C\CC[N@H+](C(C)C)C1CCC1 ZINC000681024109 487006943 /nfs/dbraw/zinc/00/69/43/487006943.db2.gz DJJNIQJIWGRBFJ-WAYWQWQTSA-N 1 0 195.350 3.606 20 0 AHADRO C[N@H+](CCCC(C)(C)C)C1CCCC1 ZINC000682027084 487040572 /nfs/dbraw/zinc/04/05/72/487040572.db2.gz GSRMTIANCWLACO-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO C[C@H](C1CC1)[N@H+](C)CCCC(C)(C)C ZINC000682027866 487040454 /nfs/dbraw/zinc/04/04/54/487040454.db2.gz UCPONYWNXMPGAP-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](C1CC1)[N@H+](C)CCCC(C)(C)C ZINC000682027867 487040696 /nfs/dbraw/zinc/04/06/96/487040696.db2.gz UCPONYWNXMPGAP-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)[N@H+](CCCC(C)(C)C)C1CC1 ZINC000682028090 487040234 /nfs/dbraw/zinc/04/02/34/487040234.db2.gz UPQWOZHZQZYXJY-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CC[N@H+](CCCC(C)(C)C)C1CCC1 ZINC000682028238 487040855 /nfs/dbraw/zinc/04/08/55/487040855.db2.gz ANZQEOAQIINYDM-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](CCCC(C)(C)C)CC1CC1 ZINC000682028574 487040273 /nfs/dbraw/zinc/04/02/73/487040273.db2.gz VPXAGNFXOKVZCM-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO C[N@H+](CCCC(C)(C)C)CCC1CC1 ZINC000682029158 487040717 /nfs/dbraw/zinc/04/07/17/487040717.db2.gz RHPQJQXRVCGAOI-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000682070695 487043015 /nfs/dbraw/zinc/04/30/15/487043015.db2.gz YSPKHTKVNYQTNS-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000682070696 487042881 /nfs/dbraw/zinc/04/28/81/487042881.db2.gz YSPKHTKVNYQTNS-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@H+](CC1CC1)C(C)C ZINC000682150599 487046834 /nfs/dbraw/zinc/04/68/34/487046834.db2.gz CMTRPWAMYRNGML-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000682155786 487048614 /nfs/dbraw/zinc/04/86/14/487048614.db2.gz DTBXSCSKHJIBHP-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000682155787 487049210 /nfs/dbraw/zinc/04/92/10/487049210.db2.gz DTBXSCSKHJIBHP-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@H+](C(C)C)C1CCC1 ZINC000682157324 487050472 /nfs/dbraw/zinc/05/04/72/487050472.db2.gz SDDSZCTXZRNRMO-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CC(C)CC[N@H+](CC1CCC1)C(C)C ZINC000683527432 487092883 /nfs/dbraw/zinc/09/28/83/487092883.db2.gz CMCWUTFAZKBREK-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](C)C[N@H+](CC1CCC1)C(C)C ZINC000683527930 487093592 /nfs/dbraw/zinc/09/35/92/487093592.db2.gz RETTVNNKBXQVBO-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)C[N@H+](CC1CCC1)C(C)C ZINC000683527931 487093284 /nfs/dbraw/zinc/09/32/84/487093284.db2.gz RETTVNNKBXQVBO-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H]([N@H+](C)CC1(C)CCC1)C(C)(C)C ZINC000683696425 487095183 /nfs/dbraw/zinc/09/51/83/487095183.db2.gz WGFOFVOOWIEZPY-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]([N@H+](C)CC1(C)CCC1)C(C)(C)C ZINC000683696426 487094751 /nfs/dbraw/zinc/09/47/51/487094751.db2.gz WGFOFVOOWIEZPY-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[N@H+](CC1(C)CCC1)C(C)C ZINC000683696735 487094868 /nfs/dbraw/zinc/09/48/68/487094868.db2.gz JNTNTFJJMTXWPN-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](CC1(C)CCC1)[C@H](C)C(C)C ZINC000683697703 487094449 /nfs/dbraw/zinc/09/44/49/487094449.db2.gz OZANIAYXPJHNFV-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](CC1(C)CCC1)[C@@H](C)C(C)C ZINC000683697704 487094879 /nfs/dbraw/zinc/09/48/79/487094879.db2.gz OZANIAYXPJHNFV-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC/C=C/CC[N@H+](C)C1(C)CCCC1 ZINC000683804666 487099124 /nfs/dbraw/zinc/09/91/24/487099124.db2.gz BSUWPEOAAXJVEO-AATRIKPKSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CC[N@H+](C)C1(C)CCCC1 ZINC000683804669 487098859 /nfs/dbraw/zinc/09/88/59/487098859.db2.gz BSUWPEOAAXJVEO-WAYWQWQTSA-N 1 0 195.350 3.607 20 0 AHADRO C[N@H+](CCC(C)(C)C)C1(C)CCCC1 ZINC000683804879 487099036 /nfs/dbraw/zinc/09/90/36/487099036.db2.gz GBILKDKWTGMLIW-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCC[N@H+](CC1(C)CC1)C(C)C ZINC000683825698 487098688 /nfs/dbraw/zinc/09/86/88/487098688.db2.gz PYPZLCQTIJRNBW-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](CCC(C)(C)C)CC1CCC1 ZINC000684429243 487122035 /nfs/dbraw/zinc/12/20/35/487122035.db2.gz RRFOBRLAUJLKCS-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)C[C@@H](C)C[N@H+](C)C1CCCC1 ZINC000685000243 487139092 /nfs/dbraw/zinc/13/90/92/487139092.db2.gz COCOCWAKQGKLFL-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[C@H](C)C[N@H+](C)C1CCCC1 ZINC000685000245 487138700 /nfs/dbraw/zinc/13/87/00/487138700.db2.gz COCOCWAKQGKLFL-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[C@@H](C)C[N@H+](C(C)C)C1CC1 ZINC000685000395 487139041 /nfs/dbraw/zinc/13/90/41/487139041.db2.gz GNTCQNGXPFRUKM-GFCCVEGCSA-N 1 0 197.366 3.541 20 0 AHADRO CC(C)C[C@H](C)C[N@H+](C(C)C)C1CC1 ZINC000685000396 487139204 /nfs/dbraw/zinc/13/92/04/487139204.db2.gz GNTCQNGXPFRUKM-LBPRGKRZSA-N 1 0 197.366 3.541 20 0 AHADRO CC[N@H+](C[C@H](C)CC(C)C)C1CCC1 ZINC000685001387 487138857 /nfs/dbraw/zinc/13/88/57/487138857.db2.gz DFBAEEIDJFYVKN-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](C[C@@H](C)CC(C)C)C1CCC1 ZINC000685001388 487139051 /nfs/dbraw/zinc/13/90/51/487139051.db2.gz DFBAEEIDJFYVKN-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)[C@@H]1C=CCCC1 ZINC000685612315 487148548 /nfs/dbraw/zinc/14/85/48/487148548.db2.gz BJVCQWVQCSZJEB-CHWSQXEVSA-N 1 0 195.350 3.606 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)[C@H]1C=CCCC1 ZINC000685612316 487148519 /nfs/dbraw/zinc/14/85/19/487148519.db2.gz BJVCQWVQCSZJEB-OLZOCXBDSA-N 1 0 195.350 3.606 20 0 AHADRO CCCC[C@H](C)[N@H+](C)[C@@H]1C=CCCC1 ZINC000685612317 487148730 /nfs/dbraw/zinc/14/87/30/487148730.db2.gz BJVCQWVQCSZJEB-QWHCGFSZSA-N 1 0 195.350 3.606 20 0 AHADRO CCCC[C@H](C)[N@H+](C)[C@H]1C=CCCC1 ZINC000685612318 487148662 /nfs/dbraw/zinc/14/86/62/487148662.db2.gz BJVCQWVQCSZJEB-STQMWFEESA-N 1 0 195.350 3.606 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)CC1(C)CCC1 ZINC000685852689 487151325 /nfs/dbraw/zinc/15/13/25/487151325.db2.gz XLZQGDFCUNQLFH-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@H](C)[N@H+](C)CC1(C)CCC1 ZINC000685852690 487151248 /nfs/dbraw/zinc/15/12/48/487151248.db2.gz XLZQGDFCUNQLFH-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](C)C1CCC(CC)CC1 ZINC000728052924 582535844 /nfs/dbraw/zinc/53/58/44/582535844.db2.gz NHXRVRQJOONBHX-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCCC[N@H+](CC(C)C)C1CC1 ZINC000740874613 582730894 /nfs/dbraw/zinc/73/08/94/582730894.db2.gz USMMCGCQCJVCMC-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCCC[N@H+](CCCC)C1CC1 ZINC000740874994 582730933 /nfs/dbraw/zinc/73/09/33/582730933.db2.gz WXMBQHAGTQVAHT-UHFFFAOYSA-N 1 0 197.366 3.831 20 0 AHADRO CCCCCC[N@H+](CC1CC1)C(C)C ZINC000740875000 582730032 /nfs/dbraw/zinc/73/00/32/582730032.db2.gz XIGTVSFNIASUQQ-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCCC[N@H+](C)CC1CCCC1 ZINC000740875865 582730707 /nfs/dbraw/zinc/73/07/07/582730707.db2.gz IJTSBRLPAPZBBZ-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCCCC[N@H+](C(C)C)C1CCC1 ZINC000740886338 582730358 /nfs/dbraw/zinc/73/03/58/582730358.db2.gz MQXXGDBGYAMDKA-UHFFFAOYSA-N 1 0 197.366 3.830 20 0 AHADRO CCCCCC[N@H+](CC)[C@H](C)C(C)C ZINC000741053484 582731170 /nfs/dbraw/zinc/73/11/70/582731170.db2.gz JZPFACHQVSZMGX-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCCCCC[N@H+](CC)[C@@H](C)C(C)C ZINC000741053485 582731905 /nfs/dbraw/zinc/73/19/05/582731905.db2.gz JZPFACHQVSZMGX-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CC(C)C[N@H+](C)C1CCCCCCC1 ZINC000748803262 582753037 /nfs/dbraw/zinc/75/30/37/582753037.db2.gz VFUNWQADWSRSHH-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](C)C1CCCCCCC1 ZINC000748982390 582753309 /nfs/dbraw/zinc/75/33/09/582753309.db2.gz BVIJREYDIOZZML-UHFFFAOYSA-N 1 0 197.366 3.831 20 0 AHADRO CCCCCC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000752357007 582768871 /nfs/dbraw/zinc/76/88/71/582768871.db2.gz UCCBLNLWCRAMDA-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCCC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000752357008 582769427 /nfs/dbraw/zinc/76/94/27/582769427.db2.gz UCCBLNLWCRAMDA-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)(C)CC[NH+]1CCCCCCC1 ZINC000755051458 582784071 /nfs/dbraw/zinc/78/40/71/582784071.db2.gz RVRHHJBFJMXGCI-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCCCC[N@H+](CCC)CC1CC1 ZINC000755249612 582785860 /nfs/dbraw/zinc/78/58/60/582785860.db2.gz DOFAYYOWZAPIIR-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCCCC[N@@H+]1CCCC12CCC2 ZINC000769984048 698092010 /nfs/dbraw/zinc/09/20/10/698092010.db2.gz KELACJGMQWKEJG-UHFFFAOYSA-N 1 0 195.350 3.585 20 0 AHADRO CCC[C@@H](C)C[N@H+](C(C)C)C1CCC1 ZINC000775715041 582863280 /nfs/dbraw/zinc/86/32/80/582863280.db2.gz AWXROQOSLVAWDK-GFCCVEGCSA-N 1 0 197.366 3.686 20 0 AHADRO CCC[C@H](C)C[N@H+](C(C)C)C1CCC1 ZINC000775715044 582863631 /nfs/dbraw/zinc/86/36/31/582863631.db2.gz AWXROQOSLVAWDK-LBPRGKRZSA-N 1 0 197.366 3.686 20 0 AHADRO CC(C)C1([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000834811423 674033662 /nfs/dbraw/zinc/03/36/62/674033662.db2.gz RPSDVKDXCHRZQL-LLVKDONJSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)C1([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000834811430 674033677 /nfs/dbraw/zinc/03/36/77/674033677.db2.gz RPSDVKDXCHRZQL-NSHDSACASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](C)C[N@H+](CC)C1CCCCC1 ZINC001166997494 760862301 /nfs/dbraw/zinc/86/23/01/760862301.db2.gz SXTXQRKOOHBZFE-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H](C)C[N@H+](CC)C1CCCCC1 ZINC001166997495 760863283 /nfs/dbraw/zinc/86/32/83/760863283.db2.gz SXTXQRKOOHBZFE-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)CC(CC)CC ZINC001167023726 760863728 /nfs/dbraw/zinc/86/37/28/760863728.db2.gz JYDJOPDSPCBXDO-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC[C@@H]1CCCC[N@@H+]1CCCC(C)C ZINC001167157348 760862357 /nfs/dbraw/zinc/86/23/57/760862357.db2.gz JIJPAFTXVGDNDC-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H]1CCCC[N@@H+]1CCCC(C)C ZINC001167157349 760863333 /nfs/dbraw/zinc/86/33/33/760863333.db2.gz JIJPAFTXVGDNDC-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC)C[C@H](C)CC(C)(C)C ZINC001167237345 760863688 /nfs/dbraw/zinc/86/36/88/760863688.db2.gz AWTSHLFUNJDGLJ-GFCCVEGCSA-N 1 0 199.382 3.791 20 0 AHADRO CCC[N@H+](CC)C[C@@H](C)CC(C)(C)C ZINC001167237346 760863200 /nfs/dbraw/zinc/86/32/00/760863200.db2.gz AWTSHLFUNJDGLJ-LBPRGKRZSA-N 1 0 199.382 3.791 20 0 AHADRO CCCC[C@@H](CC)C[N@H+](CC)CCC ZINC001167237616 760863576 /nfs/dbraw/zinc/86/35/76/760863576.db2.gz MMHOFZATXPODBJ-CYBMUJFWSA-N 1 0 199.382 3.935 20 0 AHADRO CCCC[C@H](CC)C[N@H+](CC)CCC ZINC001167237617 760863054 /nfs/dbraw/zinc/86/30/54/760863054.db2.gz MMHOFZATXPODBJ-ZDUSSCGKSA-N 1 0 199.382 3.935 20 0 AHADRO CCCC[C@@H](CC)C[N@H+](C)CC(C)C ZINC001167237709 760862879 /nfs/dbraw/zinc/86/28/79/760862879.db2.gz PPFFQFUURGMDEH-CYBMUJFWSA-N 1 0 199.382 3.791 20 0 AHADRO CCCC[C@H](CC)C[N@H+](C)CC(C)C ZINC001167237710 760863022 /nfs/dbraw/zinc/86/30/22/760863022.db2.gz PPFFQFUURGMDEH-ZDUSSCGKSA-N 1 0 199.382 3.791 20 0 AHADRO CC(C)C[N@H+](C)CCCC1CCCC1 ZINC001167237826 760863719 /nfs/dbraw/zinc/86/37/19/760863719.db2.gz VQWWKTBGBVICGP-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[N@H+](CCCC1CC1)CC(C)C ZINC001167256138 760863742 /nfs/dbraw/zinc/86/37/42/760863742.db2.gz TWDOOTXOWDTVLT-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)[N@@H+]1CCC[C@@H](CC)CC1 ZINC001167378013 760864138 /nfs/dbraw/zinc/86/41/38/760864138.db2.gz YMDYMPCDTMIYNE-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H](C)[N@@H+]1CCC[C@H](CC)CC1 ZINC001167378014 760864364 /nfs/dbraw/zinc/86/43/64/760864364.db2.gz YMDYMPCDTMIYNE-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)[N@@H+]1CCC[C@@H](CC)CC1 ZINC001167378015 760864932 /nfs/dbraw/zinc/86/49/32/760864932.db2.gz YMDYMPCDTMIYNE-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)[N@@H+]1CCC[C@H](CC)CC1 ZINC001167378016 760865402 /nfs/dbraw/zinc/86/54/02/760865402.db2.gz YMDYMPCDTMIYNE-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H](C)[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC001167425720 760864952 /nfs/dbraw/zinc/86/49/52/760864952.db2.gz SMXBXLKSTGRKBV-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC001167425722 760864824 /nfs/dbraw/zinc/86/48/24/760864824.db2.gz SMXBXLKSTGRKBV-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC001167425724 760865880 /nfs/dbraw/zinc/86/58/80/760865880.db2.gz SMXBXLKSTGRKBV-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC001167425727 760865333 /nfs/dbraw/zinc/86/53/33/760865333.db2.gz SMXBXLKSTGRKBV-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](C)C[N@H+](CC)CCC=C(C)C ZINC001167563709 760865161 /nfs/dbraw/zinc/86/51/61/760865161.db2.gz YDFNYTSYGQVKMU-CYBMUJFWSA-N 1 0 197.366 3.711 20 0 AHADRO CC[C@H](C)C[N@H+](CC)CCC=C(C)C ZINC001167563710 760865305 /nfs/dbraw/zinc/86/53/05/760865305.db2.gz YDFNYTSYGQVKMU-ZDUSSCGKSA-N 1 0 197.366 3.711 20 0 AHADRO CC(C)C[N@H+](C)C1CCC(C)(C)CC1 ZINC001167659755 760867636 /nfs/dbraw/zinc/86/76/36/760867636.db2.gz VVGQVJLGUNCRQB-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001167662855 760866169 /nfs/dbraw/zinc/86/61/69/760866169.db2.gz CRUDGXNZELJAIY-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001167662857 760867526 /nfs/dbraw/zinc/86/75/26/760867526.db2.gz CRUDGXNZELJAIY-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC ZINC001167798063 760869000 /nfs/dbraw/zinc/86/90/00/760869000.db2.gz KHGFPUCNJBIQKY-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC001167798064 760868978 /nfs/dbraw/zinc/86/89/78/760868978.db2.gz KHGFPUCNJBIQKY-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@@H+]1CCC[C@H](C)[C@H]1CCC ZINC001167798065 760868203 /nfs/dbraw/zinc/86/82/03/760868203.db2.gz KHGFPUCNJBIQKY-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCC ZINC001167798066 760868603 /nfs/dbraw/zinc/86/86/03/760868603.db2.gz KHGFPUCNJBIQKY-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(C)C ZINC001167799187 760868797 /nfs/dbraw/zinc/86/87/97/760868797.db2.gz UYPDZHBMVUDEQL-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(C)C ZINC001167799188 760868353 /nfs/dbraw/zinc/86/83/53/760868353.db2.gz UYPDZHBMVUDEQL-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(C)C ZINC001167799189 760869626 /nfs/dbraw/zinc/86/96/26/760869626.db2.gz UYPDZHBMVUDEQL-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(C)C ZINC001167799190 760869581 /nfs/dbraw/zinc/86/95/81/760869581.db2.gz UYPDZHBMVUDEQL-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC001168111479 760893407 /nfs/dbraw/zinc/89/34/07/760893407.db2.gz FBARHCRSXOGDIT-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC001168111480 760893156 /nfs/dbraw/zinc/89/31/56/760893156.db2.gz FBARHCRSXOGDIT-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001168163451 760898045 /nfs/dbraw/zinc/89/80/45/760898045.db2.gz MZOYFZSHACOXDT-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001168163453 760897191 /nfs/dbraw/zinc/89/71/91/760897191.db2.gz MZOYFZSHACOXDT-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@H+](CC)C1CCC(C)CC1 ZINC001168209042 760897523 /nfs/dbraw/zinc/89/75/23/760897523.db2.gz JQDCOVLHACNZEB-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)[NH+](C(C)C)C1CCC(C)CC1 ZINC001168209261 760898361 /nfs/dbraw/zinc/89/83/61/760898361.db2.gz PDDLDDZOQXJWGJ-UHFFFAOYSA-N 1 0 197.366 3.684 20 0 AHADRO CC1CCC([N@H+](C)CC(C)(C)C)CC1 ZINC001168216648 760896887 /nfs/dbraw/zinc/89/68/87/760896887.db2.gz AUBOGUUEVXHMOO-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)[N@H+](C)C1CCC(C)CC1 ZINC001168219102 760898238 /nfs/dbraw/zinc/89/82/38/760898238.db2.gz DQPJVUYCPXAYTD-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC001168983384 760930832 /nfs/dbraw/zinc/93/08/32/760930832.db2.gz VPPWDMDTXZJVRY-CHWSQXEVSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC001168983386 760930309 /nfs/dbraw/zinc/93/03/09/760930309.db2.gz VPPWDMDTXZJVRY-OLZOCXBDSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC001168983387 760935022 /nfs/dbraw/zinc/93/50/22/760935022.db2.gz VPPWDMDTXZJVRY-QWHCGFSZSA-N 1 0 197.366 3.735 20 0 AHADRO CCCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC001168983389 760934214 /nfs/dbraw/zinc/93/42/14/760934214.db2.gz VPPWDMDTXZJVRY-STQMWFEESA-N 1 0 197.366 3.735 20 0 AHADRO CCC[C@H](C)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001169092574 760957060 /nfs/dbraw/zinc/95/70/60/760957060.db2.gz VBLAGQUICKZZIY-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001169092575 760939641 /nfs/dbraw/zinc/93/96/41/760939641.db2.gz VBLAGQUICKZZIY-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001169092576 760946392 /nfs/dbraw/zinc/94/63/92/760946392.db2.gz VBLAGQUICKZZIY-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001169092577 760963922 /nfs/dbraw/zinc/96/39/22/760963922.db2.gz VBLAGQUICKZZIY-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[C@@H](C)[N@@H+]1CCCC(C)(C)C1 ZINC001169301053 760948230 /nfs/dbraw/zinc/94/82/30/760948230.db2.gz RKAQUWWVDCZEEL-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)C[C@H](C)[N@@H+]1CCCC(C)(C)C1 ZINC001169301054 760947781 /nfs/dbraw/zinc/94/77/81/760947781.db2.gz RKAQUWWVDCZEEL-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)(C)CC[N@@H+]1CCCC(C)(C)C1 ZINC001169301473 760943342 /nfs/dbraw/zinc/94/33/42/760943342.db2.gz UGGCTVKCRREWLG-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H](C)[C@H](C)[N@@H+]1CCCC[C@@H](C)C1 ZINC001169395326 760970115 /nfs/dbraw/zinc/97/01/15/760970115.db2.gz GZKCYRIXSBADES-AGIUHOORSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)[C@H](C)[N@@H+]1CCCC[C@H](C)C1 ZINC001169395327 760981886 /nfs/dbraw/zinc/98/18/86/760981886.db2.gz GZKCYRIXSBADES-AVGNSLFASA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)[C@@H](C)[N@@H+]1CCCC[C@@H](C)C1 ZINC001169395328 760969747 /nfs/dbraw/zinc/96/97/47/760969747.db2.gz GZKCYRIXSBADES-FRRDWIJNSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)[C@@H](C)[N@@H+]1CCCC[C@H](C)C1 ZINC001169395329 760974697 /nfs/dbraw/zinc/97/46/97/760974697.db2.gz GZKCYRIXSBADES-RWMBFGLXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCCCC[C@H]1C ZINC001169463377 760978853 /nfs/dbraw/zinc/97/88/53/760978853.db2.gz VELYXAIUFUNWMS-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)C[N@@H+]1CCCCC[C@@H]1C ZINC001169463379 760976960 /nfs/dbraw/zinc/97/69/60/760976960.db2.gz VELYXAIUFUNWMS-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H](C)[NH+]1CCC(C)(C(C)C)CC1 ZINC001169506661 760973993 /nfs/dbraw/zinc/97/39/93/760973993.db2.gz BIHLLWLQXPOIMO-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)[NH+]1CCC(C)(C(C)C)CC1 ZINC001169506662 760978268 /nfs/dbraw/zinc/97/82/68/760978268.db2.gz BIHLLWLQXPOIMO-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)[NH2+][C@H](C)CCCC(C)C ZINC001170057093 761000800 /nfs/dbraw/zinc/00/08/00/761000800.db2.gz VXDKZJDFJIEDBC-GFCCVEGCSA-N 1 0 199.382 3.979 20 0 AHADRO CCC(C)(C)[NH2+][C@@H](C)CCCC(C)C ZINC001170057094 760999701 /nfs/dbraw/zinc/99/97/01/760999701.db2.gz VXDKZJDFJIEDBC-LBPRGKRZSA-N 1 0 199.382 3.979 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC001170068199 760996725 /nfs/dbraw/zinc/99/67/25/760996725.db2.gz FXDPOHRUTBAYOM-NEPJUHHUSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC001170068200 761000099 /nfs/dbraw/zinc/00/00/99/761000099.db2.gz FXDPOHRUTBAYOM-NWDGAFQWSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC1(C)C ZINC001170068201 761003547 /nfs/dbraw/zinc/00/35/47/761003547.db2.gz FXDPOHRUTBAYOM-RYUDHWBXSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC001170068202 761002119 /nfs/dbraw/zinc/00/21/19/761002119.db2.gz FXDPOHRUTBAYOM-VXGBXAGGSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCC[C@@H](C)[NH+]1CC(C)(C)C1 ZINC001170072619 760998089 /nfs/dbraw/zinc/99/80/89/760998089.db2.gz ATGVELQHZLVDIE-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[C@H](C)[NH+]1CC(C)(C)C1 ZINC001170072620 761001476 /nfs/dbraw/zinc/00/14/76/761001476.db2.gz ATGVELQHZLVDIE-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+]([C@H](C)CCCC(C)C)C1CC1 ZINC001170072704 761000551 /nfs/dbraw/zinc/00/05/51/761000551.db2.gz CHDPEWXGVRCIDH-GFCCVEGCSA-N 1 0 197.366 3.686 20 0 AHADRO CC[N@H+]([C@@H](C)CCCC(C)C)C1CC1 ZINC001170072705 761003208 /nfs/dbraw/zinc/00/32/08/761003208.db2.gz CHDPEWXGVRCIDH-LBPRGKRZSA-N 1 0 197.366 3.686 20 0 AHADRO CC(C)CCC[C@@H](C)[N@H+](C)C(C)C ZINC001170072719 760996436 /nfs/dbraw/zinc/99/64/36/760996436.db2.gz CQIHFSTVEIGQMA-GFCCVEGCSA-N 1 0 185.355 3.541 20 0 AHADRO CC(C)CCC[C@H](C)[N@H+](C)C(C)C ZINC001170072722 760998828 /nfs/dbraw/zinc/99/88/28/760998828.db2.gz CQIHFSTVEIGQMA-LBPRGKRZSA-N 1 0 185.355 3.541 20 0 AHADRO CCC[N@H+](CC)[C@H](C)CCCC(C)C ZINC001170072913 761003615 /nfs/dbraw/zinc/00/36/15/761003615.db2.gz FNROTHUGHZVXTO-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[N@H+](CC)[C@@H](C)CCCC(C)C ZINC001170072914 761003346 /nfs/dbraw/zinc/00/33/46/761003346.db2.gz FNROTHUGHZVXTO-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CC(C)CCC[C@@H](C)[N@H+](C)CC(C)C ZINC001170073393 761004354 /nfs/dbraw/zinc/00/43/54/761004354.db2.gz JVOLCPFNNGXZQW-CYBMUJFWSA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)CCC[C@H](C)[N@H+](C)CC(C)C ZINC001170073394 761002871 /nfs/dbraw/zinc/00/28/71/761002871.db2.gz JVOLCPFNNGXZQW-ZDUSSCGKSA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)CCC[C@@H](C)[N@H+](C)CC1CC1 ZINC001170073715 761002061 /nfs/dbraw/zinc/00/20/61/761002061.db2.gz MIZKPERWRCJVNB-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[C@H](C)[N@H+](C)CC1CC1 ZINC001170073716 761003283 /nfs/dbraw/zinc/00/32/83/761003283.db2.gz MIZKPERWRCJVNB-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@H]1C ZINC001170073805 760997174 /nfs/dbraw/zinc/99/71/74/760997174.db2.gz NUNVBADRCMLAAH-CHWSQXEVSA-N 1 0 197.366 3.686 20 0 AHADRO CC(C)CCC[C@@H](C)[N@@H+]1CCC[C@@H]1C ZINC001170073807 761003881 /nfs/dbraw/zinc/00/38/81/761003881.db2.gz NUNVBADRCMLAAH-OLZOCXBDSA-N 1 0 197.366 3.686 20 0 AHADRO CC(C)CCC[C@H](C)[N@@H+]1CCC[C@H]1C ZINC001170073808 760997319 /nfs/dbraw/zinc/99/73/19/760997319.db2.gz NUNVBADRCMLAAH-QWHCGFSZSA-N 1 0 197.366 3.686 20 0 AHADRO CC(C)CCC[C@H](C)[N@@H+]1CCC[C@@H]1C ZINC001170073810 761001248 /nfs/dbraw/zinc/00/12/48/761001248.db2.gz NUNVBADRCMLAAH-STQMWFEESA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[N@H+](C)[C@H](C)CCCC(C)C ZINC001170074468 761001570 /nfs/dbraw/zinc/00/15/70/761001570.db2.gz TZXZUVWCPJVWMT-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[N@H+](C)[C@@H](C)CCCC(C)C ZINC001170074469 760998581 /nfs/dbraw/zinc/99/85/81/760998581.db2.gz TZXZUVWCPJVWMT-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CC[N@H+](C(C)C)[C@H](C)CCCC(C)C ZINC001170075008 760996072 /nfs/dbraw/zinc/99/60/72/760996072.db2.gz YZNDNKHIABPREH-CYBMUJFWSA-N 1 0 199.382 3.932 20 0 AHADRO CC[N@H+](C(C)C)[C@@H](C)CCCC(C)C ZINC001170075009 761002520 /nfs/dbraw/zinc/00/25/20/761002520.db2.gz YZNDNKHIABPREH-ZDUSSCGKSA-N 1 0 199.382 3.932 20 0 AHADRO CC[C@@H](C)[N@H+](C)[C@H](C)CCCC(C)C ZINC001170078405 760998910 /nfs/dbraw/zinc/99/89/10/760998910.db2.gz RGECCFPKXVTAAM-CHWSQXEVSA-N 1 0 199.382 3.932 20 0 AHADRO CC[C@@H](C)[N@H+](C)[C@@H](C)CCCC(C)C ZINC001170078406 760996014 /nfs/dbraw/zinc/99/60/14/760996014.db2.gz RGECCFPKXVTAAM-OLZOCXBDSA-N 1 0 199.382 3.932 20 0 AHADRO CC[C@H](C)[N@H+](C)[C@H](C)CCCC(C)C ZINC001170078407 761002584 /nfs/dbraw/zinc/00/25/84/761002584.db2.gz RGECCFPKXVTAAM-QWHCGFSZSA-N 1 0 199.382 3.932 20 0 AHADRO CC[C@H](C)[N@H+](C)[C@@H](C)CCCC(C)C ZINC001170078408 761001189 /nfs/dbraw/zinc/00/11/89/761001189.db2.gz RGECCFPKXVTAAM-STQMWFEESA-N 1 0 199.382 3.932 20 0 AHADRO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC001170078786 761000112 /nfs/dbraw/zinc/00/01/12/761000112.db2.gz UQJPPHKXAGGIKV-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC001170078787 761003559 /nfs/dbraw/zinc/00/35/59/761003559.db2.gz UQJPPHKXAGGIKV-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@H](C)C1 ZINC001170078788 760997809 /nfs/dbraw/zinc/99/78/09/760997809.db2.gz UQJPPHKXAGGIKV-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[C@H](C)[N@@H+]1CC[C@H](C)C1 ZINC001170078789 761002017 /nfs/dbraw/zinc/00/20/17/761002017.db2.gz UQJPPHKXAGGIKV-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[C@@H](C)[N@H+](C)C(C)(C)C ZINC001170084898 761000436 /nfs/dbraw/zinc/00/04/36/761000436.db2.gz ZWRRXDRIDVVBRF-GFCCVEGCSA-N 1 0 199.382 3.932 20 0 AHADRO CC(C)CCC[C@H](C)[N@H+](C)C(C)(C)C ZINC001170084900 761003718 /nfs/dbraw/zinc/00/37/18/761003718.db2.gz ZWRRXDRIDVVBRF-LBPRGKRZSA-N 1 0 199.382 3.932 20 0 AHADRO CCC[N@H+]([C@H](C)CC)[C@@H]1CC[C@@H](C)C1 ZINC001170122883 761020706 /nfs/dbraw/zinc/02/07/06/761020706.db2.gz AOCKANKDMHYUEY-JHJVBQTASA-N 1 0 197.366 3.686 20 0 AHADRO CCC[N@H+]([C@H](C)CC)[C@H]1CC[C@@H](C)C1 ZINC001170122884 761020358 /nfs/dbraw/zinc/02/03/58/761020358.db2.gz AOCKANKDMHYUEY-UPJWGTAASA-N 1 0 197.366 3.686 20 0 AHADRO CCC[N@H+]([C@H](C)CC)[C@H]1CC[C@H](C)C1 ZINC001170122885 761017620 /nfs/dbraw/zinc/01/76/20/761017620.db2.gz AOCKANKDMHYUEY-XQQFMLRXSA-N 1 0 197.366 3.686 20 0 AHADRO CCC[N@H+]([C@H](C)CC)[C@@H]1CC[C@H](C)C1 ZINC001170122886 761019096 /nfs/dbraw/zinc/01/90/96/761019096.db2.gz AOCKANKDMHYUEY-YNEHKIRRSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[N@H+](CCC)[C@@H]1CC[C@@H](C)C1 ZINC001170143965 761030736 /nfs/dbraw/zinc/03/07/36/761030736.db2.gz AXVSIPBIZUGZGZ-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CCC)[C@H]1CC[C@@H](C)C1 ZINC001170143966 761028684 /nfs/dbraw/zinc/02/86/84/761028684.db2.gz AXVSIPBIZUGZGZ-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CCC)[C@@H]1CC[C@H](C)C1 ZINC001170143967 761023767 /nfs/dbraw/zinc/02/37/67/761023767.db2.gz AXVSIPBIZUGZGZ-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CCC)[C@H]1CC[C@H](C)C1 ZINC001170143968 761029311 /nfs/dbraw/zinc/02/93/11/761029311.db2.gz AXVSIPBIZUGZGZ-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)[N@H+](CC)[C@H]1CC[C@H](C)C1 ZINC001170148322 761029857 /nfs/dbraw/zinc/02/98/57/761029857.db2.gz GZJDAMZVLUQTCQ-AAEUAGOBSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](CC)[C@@H]1CC[C@@H](C)C1 ZINC001170148324 761026343 /nfs/dbraw/zinc/02/63/43/761026343.db2.gz GZJDAMZVLUQTCQ-DGCLKSJQSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](CC)[C@@H]1CC[C@H](C)C1 ZINC001170148325 761030290 /nfs/dbraw/zinc/03/02/90/761030290.db2.gz GZJDAMZVLUQTCQ-WCQYABFASA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](CC)[C@H]1CC[C@@H](C)C1 ZINC001170148327 761024660 /nfs/dbraw/zinc/02/46/60/761024660.db2.gz GZJDAMZVLUQTCQ-YPMHNXCESA-N 1 0 197.366 3.686 20 0 AHADRO CCC[N@H+](CC(C)C)[C@@H]1CC[C@@H](C)C1 ZINC001170156479 761033830 /nfs/dbraw/zinc/03/38/30/761033830.db2.gz GEFQBOBUYGQQKL-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CC(C)C)[C@H]1CC[C@@H](C)C1 ZINC001170156480 761032601 /nfs/dbraw/zinc/03/26/01/761032601.db2.gz GEFQBOBUYGQQKL-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CC(C)C)[C@@H]1CC[C@H](C)C1 ZINC001170156481 761035068 /nfs/dbraw/zinc/03/50/68/761035068.db2.gz GEFQBOBUYGQQKL-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CC(C)C)[C@H]1CC[C@H](C)C1 ZINC001170156482 761036915 /nfs/dbraw/zinc/03/69/15/761036915.db2.gz GEFQBOBUYGQQKL-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO C1CCC([NH+]2CCCCCCCC2)C1 ZINC001170342740 761049709 /nfs/dbraw/zinc/04/97/09/761049709.db2.gz QFFVRAZMZCDMTQ-UHFFFAOYSA-N 1 0 195.350 3.585 20 0 AHADRO CC/C=C/CC[NH2+]C1(CC)CCCC1 ZINC001170450319 761045612 /nfs/dbraw/zinc/04/56/12/761045612.db2.gz ATLVLFNNUTVPER-AATRIKPKSA-N 1 0 195.350 3.655 20 0 AHADRO CC/C=C\CC[NH2+]C1(CC)CCCC1 ZINC001170450320 761048540 /nfs/dbraw/zinc/04/85/40/761048540.db2.gz ATLVLFNNUTVPER-WAYWQWQTSA-N 1 0 195.350 3.655 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)CC(CC)CC ZINC001170845437 761072776 /nfs/dbraw/zinc/07/27/76/761072776.db2.gz BLFXYFKQERVOID-GFCCVEGCSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@H](C)[N@H+](C)CC(CC)CC ZINC001170845438 761067453 /nfs/dbraw/zinc/06/74/53/761067453.db2.gz BLFXYFKQERVOID-LBPRGKRZSA-N 1 0 199.382 3.933 20 0 AHADRO CC/C=C/CC[N@@H+](C)[C@H](C)CCCC ZINC001170845876 761067932 /nfs/dbraw/zinc/06/79/32/761067932.db2.gz FYVHJWBSYXIJOG-BUUCAEBMSA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C\CC[N@@H+](C)[C@H](C)CCCC ZINC001170845877 761070196 /nfs/dbraw/zinc/07/01/96/761070196.db2.gz FYVHJWBSYXIJOG-FNOHHLHBSA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C\CC[N@@H+](C)[C@@H](C)CCCC ZINC001170845879 761074235 /nfs/dbraw/zinc/07/42/35/761074235.db2.gz FYVHJWBSYXIJOG-JWJUJFCLSA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C/CC[N@@H+](C)[C@@H](C)CCCC ZINC001170845880 761070719 /nfs/dbraw/zinc/07/07/19/761070719.db2.gz FYVHJWBSYXIJOG-XOVSCCBYSA-N 1 0 197.366 3.853 20 0 AHADRO C=C/C=C/CC[N@@H+](C)[C@H](C)CCCC ZINC001170847543 761070585 /nfs/dbraw/zinc/07/05/85/761070585.db2.gz SOBIQPNWVHSONV-BUUCAEBMSA-N 1 0 195.350 3.629 20 0 AHADRO C=C/C=C\CC[N@@H+](C)[C@H](C)CCCC ZINC001170847544 761071573 /nfs/dbraw/zinc/07/15/73/761071573.db2.gz SOBIQPNWVHSONV-FNOHHLHBSA-N 1 0 195.350 3.629 20 0 AHADRO C=C/C=C\CC[N@@H+](C)[C@@H](C)CCCC ZINC001170847545 761067481 /nfs/dbraw/zinc/06/74/81/761067481.db2.gz SOBIQPNWVHSONV-JWJUJFCLSA-N 1 0 195.350 3.629 20 0 AHADRO C=C/C=C/CC[N@@H+](C)[C@@H](C)CCCC ZINC001170847546 761068897 /nfs/dbraw/zinc/06/88/97/761068897.db2.gz SOBIQPNWVHSONV-XOVSCCBYSA-N 1 0 195.350 3.629 20 0 AHADRO CC[N@@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001171058144 761082675 /nfs/dbraw/zinc/08/26/75/761082675.db2.gz PGEXWROUXSUYEW-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001171058145 761081014 /nfs/dbraw/zinc/08/10/14/761081014.db2.gz PGEXWROUXSUYEW-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC001171188350 761080597 /nfs/dbraw/zinc/08/05/97/761080597.db2.gz BCGODZCBCBIIGR-CYDGBPFRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC001171188351 761081500 /nfs/dbraw/zinc/08/15/00/761081500.db2.gz BCGODZCBCBIIGR-VOAKCMCISA-N 1 0 197.366 3.589 20 0 AHADRO C[C@@H]1CCCC[C@H]1C[N@H+](C)C(C)(C)C ZINC001171480071 761087128 /nfs/dbraw/zinc/08/71/28/761087128.db2.gz OOCYRCCZZQARIQ-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]1CCCC[C@@H]1C[N@H+](C)C(C)(C)C ZINC001171480072 761086399 /nfs/dbraw/zinc/08/63/99/761086399.db2.gz OOCYRCCZZQARIQ-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]1CCCC[C@H]1C[N@H+](C)C(C)(C)C ZINC001171480073 761083529 /nfs/dbraw/zinc/08/35/29/761083529.db2.gz OOCYRCCZZQARIQ-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H]1CCCC[C@@H]1C[N@H+](C)C(C)(C)C ZINC001171480074 761084286 /nfs/dbraw/zinc/08/42/86/761084286.db2.gz OOCYRCCZZQARIQ-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCCC[N@H+](C)CCC(C)(C)C ZINC001171523788 761085592 /nfs/dbraw/zinc/08/55/92/761085592.db2.gz QQYQRUYZGDLRPB-UHFFFAOYSA-N 1 0 199.382 3.935 20 0 AHADRO CCC[N@H+](CC)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172364381 761117539 /nfs/dbraw/zinc/11/75/39/761117539.db2.gz BHEBVPOTOWKJOV-FRRDWIJNSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CC)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172364382 761114141 /nfs/dbraw/zinc/11/41/41/761114141.db2.gz BHEBVPOTOWKJOV-JHJVBQTASA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CC)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172364383 761119615 /nfs/dbraw/zinc/11/96/15/761119615.db2.gz BHEBVPOTOWKJOV-RWMBFGLXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](CC)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172364384 761120734 /nfs/dbraw/zinc/12/07/34/761120734.db2.gz BHEBVPOTOWKJOV-YNEHKIRRSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@H+](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172364567 761113094 /nfs/dbraw/zinc/11/30/94/761113094.db2.gz CXIVKHRNJFQGNZ-FRRDWIJNSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@H+](C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172364568 761122736 /nfs/dbraw/zinc/12/27/36/761122736.db2.gz CXIVKHRNJFQGNZ-JHJVBQTASA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@H+](C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172364569 761117971 /nfs/dbraw/zinc/11/79/71/761117971.db2.gz CXIVKHRNJFQGNZ-RWMBFGLXSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@H+](C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172364570 761118629 /nfs/dbraw/zinc/11/86/29/761118629.db2.gz CXIVKHRNJFQGNZ-YNEHKIRRSA-N 1 0 197.366 3.543 20 0 AHADRO CC[N@H+](C(C)C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172365989 761119837 /nfs/dbraw/zinc/11/98/37/761119837.db2.gz MLDFSWZCLMLJPW-FRRDWIJNSA-N 1 0 197.366 3.541 20 0 AHADRO CC[N@H+](C(C)C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172365991 761115538 /nfs/dbraw/zinc/11/55/38/761115538.db2.gz MLDFSWZCLMLJPW-JHJVBQTASA-N 1 0 197.366 3.541 20 0 AHADRO CC[N@H+](C(C)C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172365993 761122185 /nfs/dbraw/zinc/12/21/85/761122185.db2.gz MLDFSWZCLMLJPW-RWMBFGLXSA-N 1 0 197.366 3.541 20 0 AHADRO CC[N@H+](C(C)C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172365995 761115838 /nfs/dbraw/zinc/11/58/38/761115838.db2.gz MLDFSWZCLMLJPW-YNEHKIRRSA-N 1 0 197.366 3.541 20 0 AHADRO C[C@@H]1CC[C@@H]([N@H+](C)C(C)(C)C)C[C@@H]1C ZINC001172371848 761134061 /nfs/dbraw/zinc/13/40/61/761134061.db2.gz ASRPNKLWKIGHBC-GRYCIOLGSA-N 1 0 197.366 3.541 20 0 AHADRO C[C@@H]1CC[C@@H]([N@H+](C)C(C)(C)C)C[C@H]1C ZINC001172371849 761127373 /nfs/dbraw/zinc/12/73/73/761127373.db2.gz ASRPNKLWKIGHBC-IJLUTSLNSA-N 1 0 197.366 3.541 20 0 AHADRO C[C@@H]1CC[C@H]([N@H+](C)C(C)(C)C)C[C@H]1C ZINC001172371850 761128402 /nfs/dbraw/zinc/12/84/02/761128402.db2.gz ASRPNKLWKIGHBC-UTUOFQBUSA-N 1 0 197.366 3.541 20 0 AHADRO C[C@@H]1CC[C@H]([N@H+](C)C(C)(C)C)C[C@@H]1C ZINC001172371851 761133448 /nfs/dbraw/zinc/13/34/48/761133448.db2.gz ASRPNKLWKIGHBC-WOPDTQHZSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172372467 761125810 /nfs/dbraw/zinc/12/58/10/761125810.db2.gz IMTJKDXXQYSMTA-FVCCEPFGSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172372469 761128717 /nfs/dbraw/zinc/12/87/17/761128717.db2.gz IMTJKDXXQYSMTA-MROQNXINSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172372470 761127876 /nfs/dbraw/zinc/12/78/76/761127876.db2.gz IMTJKDXXQYSMTA-QNWHQSFQSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](C)[N@H+](C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172372472 761132319 /nfs/dbraw/zinc/13/23/19/761132319.db2.gz IMTJKDXXQYSMTA-ZDEQEGDKSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]C(C)(C)CC ZINC001172382371 761125258 /nfs/dbraw/zinc/12/52/58/761125258.db2.gz FGPBILYDQDOOAQ-LLVKDONJSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]C(C)(C)CC ZINC001172382372 761128374 /nfs/dbraw/zinc/12/83/74/761128374.db2.gz FGPBILYDQDOOAQ-NSHDSACASA-N 1 0 185.355 3.589 20 0 AHADRO CCCCC[NH2+][C@H](CC)CC(C)C ZINC001172382625 761126880 /nfs/dbraw/zinc/12/68/80/761126880.db2.gz FVAZAECICRNAOS-GFCCVEGCSA-N 1 0 185.355 3.591 20 0 AHADRO CCCCC[NH2+][C@@H](CC)CC(C)C ZINC001172382627 761132647 /nfs/dbraw/zinc/13/26/47/761132647.db2.gz FVAZAECICRNAOS-LBPRGKRZSA-N 1 0 185.355 3.591 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]CCC(C)(C)C ZINC001172383172 761126558 /nfs/dbraw/zinc/12/65/58/761126558.db2.gz KILZYISWMANJEQ-GFCCVEGCSA-N 1 0 199.382 3.837 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]CCC(C)(C)C ZINC001172383173 761130097 /nfs/dbraw/zinc/13/00/97/761130097.db2.gz KILZYISWMANJEQ-LBPRGKRZSA-N 1 0 199.382 3.837 20 0 AHADRO CCC(CC)C[NH2+][C@H](CC)CC(C)C ZINC001172383395 761124965 /nfs/dbraw/zinc/12/49/65/761124965.db2.gz MKQMMZFQKOCIRU-CYBMUJFWSA-N 1 0 199.382 3.837 20 0 AHADRO CCC(CC)C[NH2+][C@@H](CC)CC(C)C ZINC001172383397 761134698 /nfs/dbraw/zinc/13/46/98/761134698.db2.gz MKQMMZFQKOCIRU-ZDUSSCGKSA-N 1 0 199.382 3.837 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]CC1CCCC1 ZINC001172383411 761133173 /nfs/dbraw/zinc/13/31/73/761133173.db2.gz MLZCJAHCDYRKTJ-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]CC1CCCC1 ZINC001172383412 761130736 /nfs/dbraw/zinc/13/07/36/761130736.db2.gz MLZCJAHCDYRKTJ-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[C@@H](CCC)[NH2+]C1CC1 ZINC001172383492 761130264 /nfs/dbraw/zinc/13/02/64/761130264.db2.gz QZNRWQQBPYTYBJ-GFCCVEGCSA-N 1 0 197.366 3.878 20 0 AHADRO CCCCCC[C@H](CCC)[NH2+]C1CC1 ZINC001172383493 761126726 /nfs/dbraw/zinc/12/67/26/761126726.db2.gz QZNRWQQBPYTYBJ-LBPRGKRZSA-N 1 0 197.366 3.878 20 0 AHADRO CCCCCC[NH2+][C@H](CC)CC(C)C ZINC001172383749 761134757 /nfs/dbraw/zinc/13/47/57/761134757.db2.gz OWIURFXEVBHIOL-CYBMUJFWSA-N 1 0 199.382 3.981 20 0 AHADRO CCCCCC[NH2+][C@@H](CC)CC(C)C ZINC001172383750 761134041 /nfs/dbraw/zinc/13/40/41/761134041.db2.gz OWIURFXEVBHIOL-ZDUSSCGKSA-N 1 0 199.382 3.981 20 0 AHADRO CCC(CC)[NH2+][C@H](CC)CC(C)C ZINC001172384012 761126637 /nfs/dbraw/zinc/12/66/37/761126637.db2.gz QCNVSLFKCDUVBI-GFCCVEGCSA-N 1 0 185.355 3.589 20 0 AHADRO CCC(CC)[NH2+][C@@H](CC)CC(C)C ZINC001172384013 761130166 /nfs/dbraw/zinc/13/01/66/761130166.db2.gz QCNVSLFKCDUVBI-LBPRGKRZSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]C1CCCCC1 ZINC001172384984 761131460 /nfs/dbraw/zinc/13/14/60/761131460.db2.gz YSTGYHCQRAODHL-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]C1CCCCC1 ZINC001172384985 761125334 /nfs/dbraw/zinc/12/53/34/761125334.db2.gz YSTGYHCQRAODHL-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCCCCC[C@@H](CCC)[NH+]1CCC1 ZINC001172386114 761132304 /nfs/dbraw/zinc/13/23/04/761132304.db2.gz CXUMNCUUKHYGHS-CYBMUJFWSA-N 1 0 197.366 3.831 20 0 AHADRO CCCCCC[C@H](CCC)[NH+]1CCC1 ZINC001172386117 761134519 /nfs/dbraw/zinc/13/45/19/761134519.db2.gz CXUMNCUUKHYGHS-ZDUSSCGKSA-N 1 0 197.366 3.831 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]C(C)(C)C1CC1 ZINC001172386410 761124663 /nfs/dbraw/zinc/12/46/63/761124663.db2.gz PDFZLDLCIZGWNL-GFCCVEGCSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]C(C)(C)C1CC1 ZINC001172386411 761132023 /nfs/dbraw/zinc/13/20/23/761132023.db2.gz PDFZLDLCIZGWNL-LBPRGKRZSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H]1C ZINC001172386418 761134140 /nfs/dbraw/zinc/13/41/40/761134140.db2.gz PICRDQCSXRCJFY-RWMBFGLXSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H]1C ZINC001172386419 761127122 /nfs/dbraw/zinc/12/71/22/761127122.db2.gz PICRDQCSXRCJFY-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@H](C)C(C)(C)C ZINC001172386507 761128271 /nfs/dbraw/zinc/12/82/71/761128271.db2.gz QEQSITVFJWBYCS-NEPJUHHUSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@@H](C)C(C)(C)C ZINC001172386508 761130515 /nfs/dbraw/zinc/13/05/15/761130515.db2.gz QEQSITVFJWBYCS-NWDGAFQWSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@@H](C)C(C)(C)C ZINC001172386510 761126926 /nfs/dbraw/zinc/12/69/26/761126926.db2.gz QEQSITVFJWBYCS-RYUDHWBXSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@H](C)C(C)(C)C ZINC001172386511 761130207 /nfs/dbraw/zinc/13/02/07/761130207.db2.gz QEQSITVFJWBYCS-VXGBXAGGSA-N 1 0 199.382 3.835 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]CC1(C)CCC1 ZINC001172388044 761131981 /nfs/dbraw/zinc/13/19/81/761131981.db2.gz BVORAPBTUFQBMD-GFCCVEGCSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]CC1(C)CCC1 ZINC001172388045 761124820 /nfs/dbraw/zinc/12/48/20/761124820.db2.gz BVORAPBTUFQBMD-LBPRGKRZSA-N 1 0 197.366 3.591 20 0 AHADRO CCCCCC[C@@H](CCC)[NH+](C)C ZINC001172388862 761134276 /nfs/dbraw/zinc/13/42/76/761134276.db2.gz PGQYFWLDFBUVOU-GFCCVEGCSA-N 1 0 185.355 3.687 20 0 AHADRO CCCCCC[C@H](CCC)[NH+](C)C ZINC001172388863 761127933 /nfs/dbraw/zinc/12/79/33/761127933.db2.gz PGQYFWLDFBUVOU-LBPRGKRZSA-N 1 0 185.355 3.687 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]C1CC(C)(C)C1 ZINC001172393158 761143514 /nfs/dbraw/zinc/14/35/14/761143514.db2.gz SGBRSJVXXBZDTC-LLVKDONJSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]C1CC(C)(C)C1 ZINC001172393159 761138009 /nfs/dbraw/zinc/13/80/09/761138009.db2.gz SGBRSJVXXBZDTC-NSHDSACASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]C1(CC)CCC1 ZINC001172393814 761143433 /nfs/dbraw/zinc/14/34/33/761143433.db2.gz LAAKTRXLXVSYPG-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]C1(CC)CCC1 ZINC001172393817 761141663 /nfs/dbraw/zinc/14/16/63/761141663.db2.gz LAAKTRXLXVSYPG-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@@H](C)C1CCC1 ZINC001172393957 761138445 /nfs/dbraw/zinc/13/84/45/761138445.db2.gz BCACAHDMAJEPJH-AAEUAGOBSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@H](C)C1CCC1 ZINC001172393958 761141068 /nfs/dbraw/zinc/14/10/68/761141068.db2.gz BCACAHDMAJEPJH-DGCLKSJQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@@H](C)C1CCC1 ZINC001172393963 761142828 /nfs/dbraw/zinc/14/28/28/761142828.db2.gz BCACAHDMAJEPJH-WCQYABFASA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@H](C)C1CCC1 ZINC001172393965 761138887 /nfs/dbraw/zinc/13/88/87/761138887.db2.gz BCACAHDMAJEPJH-YPMHNXCESA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@H](CC(C)C)[NH2+]CCC1CCC1 ZINC001172395265 761137919 /nfs/dbraw/zinc/13/79/19/761137919.db2.gz JXLPLBLBWGWTRU-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+]CCC1CCC1 ZINC001172395266 761140051 /nfs/dbraw/zinc/14/00/51/761140051.db2.gz JXLPLBLBWGWTRU-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H](C)[N@H+](C)[C@@H](CC)CC(C)C ZINC001172395644 761142937 /nfs/dbraw/zinc/14/29/37/761142937.db2.gz HLAYBXHJOHWQKX-NEPJUHHUSA-N 1 0 185.355 3.541 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+](C)[C@@H](C)CC ZINC001172395645 761139544 /nfs/dbraw/zinc/13/95/44/761139544.db2.gz HLAYBXHJOHWQKX-NWDGAFQWSA-N 1 0 185.355 3.541 20 0 AHADRO CC[C@H](C)[N@H+](C)[C@@H](CC)CC(C)C ZINC001172395646 761137236 /nfs/dbraw/zinc/13/72/36/761137236.db2.gz HLAYBXHJOHWQKX-RYUDHWBXSA-N 1 0 185.355 3.541 20 0 AHADRO CCC[C@@H](C)[NH2+][C@@H](CC)CC(C)C ZINC001172395647 761141176 /nfs/dbraw/zinc/14/11/76/761141176.db2.gz OAAYPLMAOUWMLW-NEPJUHHUSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](C)[N@H+](C)[C@H](CC)CC(C)C ZINC001172395648 761138751 /nfs/dbraw/zinc/13/87/51/761138751.db2.gz HLAYBXHJOHWQKX-VXGBXAGGSA-N 1 0 185.355 3.541 20 0 AHADRO CCC[C@H](C)[NH2+][C@H](CC)CC(C)C ZINC001172395650 761143536 /nfs/dbraw/zinc/14/35/36/761143536.db2.gz OAAYPLMAOUWMLW-NWDGAFQWSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@H](C)[NH2+][C@@H](CC)CC(C)C ZINC001172395653 761141926 /nfs/dbraw/zinc/14/19/26/761141926.db2.gz OAAYPLMAOUWMLW-RYUDHWBXSA-N 1 0 185.355 3.589 20 0 AHADRO CCC[C@@H](C)[NH2+][C@H](CC)CC(C)C ZINC001172395656 761140073 /nfs/dbraw/zinc/14/00/73/761140073.db2.gz OAAYPLMAOUWMLW-VXGBXAGGSA-N 1 0 185.355 3.589 20 0 AHADRO CC[C@@H](CC(C)C)[N@H+](C)C1CC(C)C1 ZINC001172395680 761139704 /nfs/dbraw/zinc/13/97/04/761139704.db2.gz HQYZEIFHKVDPJQ-CPCZMJQVSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](CC(C)C)[N@H+](C)C1CC(C)C1 ZINC001172395681 761142408 /nfs/dbraw/zinc/14/24/08/761142408.db2.gz HQYZEIFHKVDPJQ-OTTFEQOBSA-N 1 0 197.366 3.541 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCCC1(C)C ZINC001172395894 761142015 /nfs/dbraw/zinc/14/20/15/761142015.db2.gz JBFHNNNAUUKREA-GFCCVEGCSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCCC1(C)C ZINC001172395895 761135494 /nfs/dbraw/zinc/13/54/94/761135494.db2.gz JBFHNNNAUUKREA-LBPRGKRZSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H](CC(C)C)[NH+](C(C)C)C(C)C ZINC001172397446 761150504 /nfs/dbraw/zinc/15/05/04/761150504.db2.gz BJKPOCWOZILNDB-CYBMUJFWSA-N 1 0 199.382 3.930 20 0 AHADRO CC[C@@H](CC(C)C)[NH+](C(C)C)C(C)C ZINC001172397448 761154735 /nfs/dbraw/zinc/15/47/35/761154735.db2.gz BJKPOCWOZILNDB-ZDUSSCGKSA-N 1 0 199.382 3.930 20 0 AHADRO CC[C@H](CC(C)C)[N@H+](CC)C(C)C ZINC001172397954 761151033 /nfs/dbraw/zinc/15/10/33/761151033.db2.gz CPYQDHLEJZEVSA-GFCCVEGCSA-N 1 0 185.355 3.541 20 0 AHADRO CC[C@@H](CC(C)C)[N@H+](CC)C(C)C ZINC001172397955 761147129 /nfs/dbraw/zinc/14/71/29/761147129.db2.gz CPYQDHLEJZEVSA-LBPRGKRZSA-N 1 0 185.355 3.541 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@H](CC)CC(C)C ZINC001172398348 761154665 /nfs/dbraw/zinc/15/46/65/761154665.db2.gz FKZRFZVSMJAHKN-CHWSQXEVSA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[C@@H](C)[NH2+][C@@H](CC)CC(C)C ZINC001172398350 761148827 /nfs/dbraw/zinc/14/88/27/761148827.db2.gz FKZRFZVSMJAHKN-OLZOCXBDSA-N 1 0 199.382 3.979 20 0 AHADRO CC[C@H](CC(C)C)[N@H+](C)CCC1CC1 ZINC001172399271 761149080 /nfs/dbraw/zinc/14/90/80/761149080.db2.gz AWASJOMGKWKSQU-CYBMUJFWSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[N@H+](C)CCC1CC1 ZINC001172399272 761145620 /nfs/dbraw/zinc/14/56/20/761145620.db2.gz AWASJOMGKWKSQU-ZDUSSCGKSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](CC(C)C)[NH+]1CCCCCC1 ZINC001172399583 761144469 /nfs/dbraw/zinc/14/44/69/761144469.db2.gz ZBJRJUXAXXXFFX-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H](CC(C)C)[NH+]1CCCCCC1 ZINC001172399584 761147447 /nfs/dbraw/zinc/14/74/47/761147447.db2.gz ZBJRJUXAXXXFFX-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC)[C@H](CC)CC(C)C ZINC001172399917 761151954 /nfs/dbraw/zinc/15/19/54/761151954.db2.gz IGUPVIITUXNOBE-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[N@H+](CC)[C@@H](CC)CC(C)C ZINC001172399918 761148966 /nfs/dbraw/zinc/14/89/66/761148966.db2.gz IGUPVIITUXNOBE-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001172400526 761147044 /nfs/dbraw/zinc/14/70/44/761147044.db2.gz KYVQQFAHHQQUBP-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001172400529 761154478 /nfs/dbraw/zinc/15/44/78/761154478.db2.gz KYVQQFAHHQQUBP-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001172400532 761144921 /nfs/dbraw/zinc/14/49/21/761144921.db2.gz KYVQQFAHHQQUBP-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001172400534 761151486 /nfs/dbraw/zinc/15/14/86/761151486.db2.gz KYVQQFAHHQQUBP-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CCC[NH+](CCC)[C@H](CC)CC(C)C ZINC001172400540 761153708 /nfs/dbraw/zinc/15/37/08/761153708.db2.gz LBUMSZXEFZHJRR-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[NH+](CCC)[C@@H](CC)CC(C)C ZINC001172400543 761151524 /nfs/dbraw/zinc/15/15/24/761151524.db2.gz LBUMSZXEFZHJRR-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CC[C@H](CC(C)C)[NH+]1CCC(C)CC1 ZINC001172400545 761144962 /nfs/dbraw/zinc/14/49/62/761144962.db2.gz LBWOTOFTKJYGBK-CYBMUJFWSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[NH+]1CCC(C)CC1 ZINC001172400548 761146138 /nfs/dbraw/zinc/14/61/38/761146138.db2.gz LBWOTOFTKJYGBK-ZDUSSCGKSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@@H]1C=CCCC1 ZINC001172400761 761152724 /nfs/dbraw/zinc/15/27/24/761152724.db2.gz OBPZSRHTUQMPGQ-CHWSQXEVSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@H]1C=CCCC1 ZINC001172400764 761149938 /nfs/dbraw/zinc/14/99/38/761149938.db2.gz OBPZSRHTUQMPGQ-OLZOCXBDSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@@H]1C=CCCC1 ZINC001172400767 761146517 /nfs/dbraw/zinc/14/65/17/761146517.db2.gz OBPZSRHTUQMPGQ-QWHCGFSZSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@H]1C=CCCC1 ZINC001172400770 761148516 /nfs/dbraw/zinc/14/85/16/761148516.db2.gz OBPZSRHTUQMPGQ-STQMWFEESA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@@H]1CC=CCC1 ZINC001172401629 761152107 /nfs/dbraw/zinc/15/21/07/761152107.db2.gz QXAMTEFBRRRUEQ-CHWSQXEVSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@H](CC(C)C)[NH2+][C@H]1CC=CCC1 ZINC001172401630 761152568 /nfs/dbraw/zinc/15/25/68/761152568.db2.gz QXAMTEFBRRRUEQ-OLZOCXBDSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@@H]1CC=CCC1 ZINC001172401632 761148165 /nfs/dbraw/zinc/14/81/65/761148165.db2.gz QXAMTEFBRRRUEQ-QWHCGFSZSA-N 1 0 195.350 3.509 20 0 AHADRO CC[C@@H](CC(C)C)[NH2+][C@H]1CC=CCC1 ZINC001172401634 761152792 /nfs/dbraw/zinc/15/27/92/761152792.db2.gz QXAMTEFBRRRUEQ-STQMWFEESA-N 1 0 195.350 3.509 20 0 AHADRO CCCC[N@H+](C)[C@H](CC)CC(C)C ZINC001172401771 761154292 /nfs/dbraw/zinc/15/42/92/761154292.db2.gz NZJXYFGWTSNBMC-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[N@H+](C)[C@@H](CC)CC(C)C ZINC001172401772 761152353 /nfs/dbraw/zinc/15/23/53/761152353.db2.gz NZJXYFGWTSNBMC-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCCCC[N@H+](C)[C@H](CC)CC(C)C ZINC001172402247 761148903 /nfs/dbraw/zinc/14/89/03/761148903.db2.gz QDLVLKDBBAXVGA-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCCCC[N@H+](C)[C@@H](CC)CC(C)C ZINC001172402248 761152019 /nfs/dbraw/zinc/15/20/19/761152019.db2.gz QDLVLKDBBAXVGA-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[N@H+](CC)[C@H](CC)CC(C)C ZINC001172402323 761148016 /nfs/dbraw/zinc/14/80/16/761148016.db2.gz ROKCDQFROVDOEW-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[N@H+](CC)[C@@H](CC)CC(C)C ZINC001172402325 761152842 /nfs/dbraw/zinc/15/28/42/761152842.db2.gz ROKCDQFROVDOEW-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCCC[C@H]1C ZINC001172402875 761150210 /nfs/dbraw/zinc/15/02/10/761150210.db2.gz WSZQQQUCWHYMOQ-CHWSQXEVSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCCC[C@H]1C ZINC001172402876 761146936 /nfs/dbraw/zinc/14/69/36/761146936.db2.gz WSZQQQUCWHYMOQ-OLZOCXBDSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCCC[C@@H]1C ZINC001172402877 761150579 /nfs/dbraw/zinc/15/05/79/761150579.db2.gz WSZQQQUCWHYMOQ-QWHCGFSZSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCCC[C@@H]1C ZINC001172402878 761147638 /nfs/dbraw/zinc/14/76/38/761147638.db2.gz WSZQQQUCWHYMOQ-STQMWFEESA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCC[C@H]1CC ZINC001172403961 761149802 /nfs/dbraw/zinc/14/98/02/761149802.db2.gz QJXKKDSYPDFRCY-CHWSQXEVSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1CC ZINC001172403962 761146726 /nfs/dbraw/zinc/14/67/26/761146726.db2.gz QJXKKDSYPDFRCY-OLZOCXBDSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](C)[C@H](CC)CC(C)C ZINC001172404545 761149066 /nfs/dbraw/zinc/14/90/66/761149066.db2.gz ZVKITWQUBQLMEQ-CYBMUJFWSA-N 1 0 199.382 3.932 20 0 AHADRO CCC(CC)[N@H+](C)[C@@H](CC)CC(C)C ZINC001172404546 761145663 /nfs/dbraw/zinc/14/56/63/761145663.db2.gz ZVKITWQUBQLMEQ-ZDUSSCGKSA-N 1 0 199.382 3.932 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CC[C@@H](CC)C1 ZINC001172405488 761151835 /nfs/dbraw/zinc/15/18/35/761151835.db2.gz YHXTUFGUBQPAHW-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CC[C@@H](CC)C1 ZINC001172405489 761145264 /nfs/dbraw/zinc/14/52/64/761145264.db2.gz YHXTUFGUBQPAHW-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCC(C)(C)C1 ZINC001172405861 761144330 /nfs/dbraw/zinc/14/43/30/761144330.db2.gz DEMKJMGLORNVNJ-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCC(C)(C)C1 ZINC001172405862 761147846 /nfs/dbraw/zinc/14/78/46/761147846.db2.gz DEMKJMGLORNVNJ-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](CC(C)C)[N@H+](C)CC(C)(C)C ZINC001172406434 761157028 /nfs/dbraw/zinc/15/70/28/761157028.db2.gz HTEACYADVQUALI-GFCCVEGCSA-N 1 0 199.382 3.789 20 0 AHADRO CC[C@@H](CC(C)C)[N@H+](C)CC(C)(C)C ZINC001172406435 761160629 /nfs/dbraw/zinc/16/06/29/761160629.db2.gz HTEACYADVQUALI-LBPRGKRZSA-N 1 0 199.382 3.789 20 0 AHADRO CC[C@H](CC(C)C)[N@H+](C)CC1CCC1 ZINC001172407022 761156079 /nfs/dbraw/zinc/15/60/79/761156079.db2.gz MBLZMYAZFICUAV-CYBMUJFWSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](CC(C)C)[N@H+](C)CC1CCC1 ZINC001172407023 761161003 /nfs/dbraw/zinc/16/10/03/761161003.db2.gz MBLZMYAZFICUAV-ZDUSSCGKSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H](CC(C)C)[N@H+](C)C1CCCC1 ZINC001172407589 761163203 /nfs/dbraw/zinc/16/32/03/761163203.db2.gz OTGQFSXAHHBZTM-GFCCVEGCSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](CC(C)C)[N@H+](C)C1CCCC1 ZINC001172407592 761157525 /nfs/dbraw/zinc/15/75/25/761157525.db2.gz OTGQFSXAHHBZTM-LBPRGKRZSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H](CC(C)C)[N@@H+]1CCC[C@@H]1CC ZINC001172408044 761158049 /nfs/dbraw/zinc/15/80/49/761158049.db2.gz QJXKKDSYPDFRCY-QWHCGFSZSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H](CC(C)C)[N@@H+]1CCC[C@@H]1CC ZINC001172408045 761164424 /nfs/dbraw/zinc/16/44/24/761164424.db2.gz QJXKKDSYPDFRCY-STQMWFEESA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H](CC(C)C)[N@H+](C)C(C)(C)C ZINC001172408439 761161756 /nfs/dbraw/zinc/16/17/56/761161756.db2.gz UFPXDSXZLXSCCZ-LLVKDONJSA-N 1 0 185.355 3.541 20 0 AHADRO CC[C@@H](CC(C)C)[N@H+](C)C(C)(C)C ZINC001172408440 761162550 /nfs/dbraw/zinc/16/25/50/761162550.db2.gz UFPXDSXZLXSCCZ-NSHDSACASA-N 1 0 185.355 3.541 20 0 AHADRO CCCCCC[C@@H](CCCC)NC=[NH2+] ZINC001172517179 761203141 /nfs/dbraw/zinc/20/31/41/761203141.db2.gz PMPGZAAAEZRCMT-GFCCVEGCSA-N 1 0 198.354 3.712 20 0 AHADRO CCCCCC[C@H](CCCC)NC=[NH2+] ZINC001172517180 761207276 /nfs/dbraw/zinc/20/72/76/761207276.db2.gz PMPGZAAAEZRCMT-LBPRGKRZSA-N 1 0 198.354 3.712 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+]C(C)(C)C ZINC001173245345 761221094 /nfs/dbraw/zinc/22/10/94/761221094.db2.gz DWRGWDPCJCKRPQ-GFCCVEGCSA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+]C(C)(C)C ZINC001173245346 761222857 /nfs/dbraw/zinc/22/28/57/761222857.db2.gz DWRGWDPCJCKRPQ-LBPRGKRZSA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+]CC1CC1 ZINC001173245581 761219996 /nfs/dbraw/zinc/21/99/96/761219996.db2.gz HYIOQJYBLYKTJT-CYBMUJFWSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+]CC1CC1 ZINC001173245586 761220276 /nfs/dbraw/zinc/22/02/76/761220276.db2.gz HYIOQJYBLYKTJT-ZDUSSCGKSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+]CC(C)C ZINC001173245740 761218997 /nfs/dbraw/zinc/21/89/97/761218997.db2.gz INHKGMZNWIJWCF-CYBMUJFWSA-N 1 0 199.382 3.837 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+]CC(C)C ZINC001173245743 761221719 /nfs/dbraw/zinc/22/17/19/761221719.db2.gz INHKGMZNWIJWCF-ZDUSSCGKSA-N 1 0 199.382 3.837 20 0 AHADRO CCCC[NH2+][C@H](CCCC)CC(C)C ZINC001173246802 761226366 /nfs/dbraw/zinc/22/63/66/761226366.db2.gz RYFSTZZOFMOPNR-CYBMUJFWSA-N 1 0 199.382 3.981 20 0 AHADRO CCCC[NH2+][C@@H](CCCC)CC(C)C ZINC001173246804 761221863 /nfs/dbraw/zinc/22/18/63/761221863.db2.gz RYFSTZZOFMOPNR-ZDUSSCGKSA-N 1 0 199.382 3.981 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+][C@@H]1C[C@H]1C ZINC001173247227 761225221 /nfs/dbraw/zinc/22/52/21/761225221.db2.gz VAGFGKIVYMDVCS-FRRDWIJNSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]1C ZINC001173247228 761222617 /nfs/dbraw/zinc/22/26/17/761222617.db2.gz VAGFGKIVYMDVCS-JHJVBQTASA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+][C@H]1C[C@H]1C ZINC001173247229 761226985 /nfs/dbraw/zinc/22/69/85/761226985.db2.gz VAGFGKIVYMDVCS-UPJWGTAASA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+][C@H]1C[C@@H]1C ZINC001173247231 761223039 /nfs/dbraw/zinc/22/30/39/761223039.db2.gz VAGFGKIVYMDVCS-XQQFMLRXSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H]1C ZINC001173247233 761223715 /nfs/dbraw/zinc/22/37/15/761223715.db2.gz VAGFGKIVYMDVCS-YNEHKIRRSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+]C1(C)CC1 ZINC001173247490 761228677 /nfs/dbraw/zinc/22/86/77/761228677.db2.gz WCABUMDEROOLEE-GFCCVEGCSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+]C1(C)CC1 ZINC001173247492 761219486 /nfs/dbraw/zinc/21/94/86/761219486.db2.gz WCABUMDEROOLEE-LBPRGKRZSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+]C1CCC1 ZINC001173247781 761222190 /nfs/dbraw/zinc/22/21/90/761222190.db2.gz YQLWTEHHWPKESU-CYBMUJFWSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+]C1CCC1 ZINC001173247782 761219894 /nfs/dbraw/zinc/21/98/94/761219894.db2.gz YQLWTEHHWPKESU-ZDUSSCGKSA-N 1 0 197.366 3.733 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+][C@H](C)CC ZINC001173249283 761226857 /nfs/dbraw/zinc/22/68/57/761226857.db2.gz IPHASIZLDHTHND-CHWSQXEVSA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+][C@H](C)CC ZINC001173249287 761225750 /nfs/dbraw/zinc/22/57/50/761225750.db2.gz IPHASIZLDHTHND-OLZOCXBDSA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[C@H](CC(C)C)[NH2+][C@@H](C)CC ZINC001173249292 761220554 /nfs/dbraw/zinc/22/05/54/761220554.db2.gz IPHASIZLDHTHND-QWHCGFSZSA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH2+][C@@H](C)CC ZINC001173249294 761224861 /nfs/dbraw/zinc/22/48/61/761224861.db2.gz IPHASIZLDHTHND-STQMWFEESA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[C@H](CC(C)C)[N@H+](C)C1CC1 ZINC001173255032 761220661 /nfs/dbraw/zinc/22/06/61/761220661.db2.gz DSOCBWPMGIKRJR-CYBMUJFWSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[C@@H](CC(C)C)[N@H+](C)C1CC1 ZINC001173255033 761224446 /nfs/dbraw/zinc/22/44/46/761224446.db2.gz DSOCBWPMGIKRJR-ZDUSSCGKSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[C@H](CC(C)C)[NH+]1CC(C)C1 ZINC001173255152 761223357 /nfs/dbraw/zinc/22/33/57/761223357.db2.gz GIDIBJPARMRPKO-CYBMUJFWSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH+]1CC(C)C1 ZINC001173255154 761228236 /nfs/dbraw/zinc/22/82/36/761228236.db2.gz GIDIBJPARMRPKO-ZDUSSCGKSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@H](CC(C)C)[N@H+](C)C(C)C ZINC001173255155 761221520 /nfs/dbraw/zinc/22/15/20/761221520.db2.gz GJYNPAADYMUTDE-CYBMUJFWSA-N 1 0 199.382 3.932 20 0 AHADRO CCCC[C@@H](CC(C)C)[N@H+](C)C(C)C ZINC001173255156 761219254 /nfs/dbraw/zinc/21/92/54/761219254.db2.gz GJYNPAADYMUTDE-ZDUSSCGKSA-N 1 0 199.382 3.932 20 0 AHADRO CCCC[C@H](CC(C)C)[N@H+](C)CCC ZINC001173255493 761227293 /nfs/dbraw/zinc/22/72/93/761227293.db2.gz IZGPIUHVCAPBCM-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@@H](CC(C)C)[N@H+](C)CCC ZINC001173255494 761227472 /nfs/dbraw/zinc/22/74/72/761227472.db2.gz IZGPIUHVCAPBCM-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@H](CC(C)C)[NH+]1CCCC1 ZINC001173257642 761225333 /nfs/dbraw/zinc/22/53/33/761225333.db2.gz KNBSBYZNDOBTLV-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC001173257644 761220192 /nfs/dbraw/zinc/22/01/92/761220192.db2.gz KNBSBYZNDOBTLV-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@H](CC(C)C)[N@H+](C)CC ZINC001173258079 761227351 /nfs/dbraw/zinc/22/73/51/761227351.db2.gz NWLXGLVWLAJFHS-GFCCVEGCSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@@H](CC(C)C)[N@H+](C)CC ZINC001173258083 761228000 /nfs/dbraw/zinc/22/80/00/761228000.db2.gz NWLXGLVWLAJFHS-LBPRGKRZSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC[C@H](CC(C)C)[N@@H+]1CC[C@H]1C ZINC001173258440 761224514 /nfs/dbraw/zinc/22/45/14/761224514.db2.gz URNBXJNXRUEWRF-CHWSQXEVSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@H]1C ZINC001173258441 761220582 /nfs/dbraw/zinc/22/05/82/761220582.db2.gz URNBXJNXRUEWRF-OLZOCXBDSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]1C ZINC001173258442 761222802 /nfs/dbraw/zinc/22/28/02/761222802.db2.gz URNBXJNXRUEWRF-QWHCGFSZSA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]1C ZINC001173258443 761227206 /nfs/dbraw/zinc/22/72/06/761227206.db2.gz URNBXJNXRUEWRF-STQMWFEESA-N 1 0 197.366 3.686 20 0 AHADRO CCCC[C@H](CC(C)C)[NH+](CC)CC ZINC001173258462 761226419 /nfs/dbraw/zinc/22/64/19/761226419.db2.gz VCOGPJLDDQMDJS-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@@H](CC(C)C)[NH+](CC)CC ZINC001173258463 761222990 /nfs/dbraw/zinc/22/29/90/761222990.db2.gz VCOGPJLDDQMDJS-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CC[C@@H]1CC[C@@H]([NH+](C(C)C)C(C)C)C1 ZINC001173273010 761242459 /nfs/dbraw/zinc/24/24/59/761242459.db2.gz MDFVSHHIASZLFJ-CHWSQXEVSA-N 1 0 197.366 3.684 20 0 AHADRO CC[C@@H]1CC[C@H]([NH+](C(C)C)C(C)C)C1 ZINC001173273011 761251460 /nfs/dbraw/zinc/25/14/60/761251460.db2.gz MDFVSHHIASZLFJ-OLZOCXBDSA-N 1 0 197.366 3.684 20 0 AHADRO CC[C@H]1CC[C@@H]([NH+](C(C)C)C(C)C)C1 ZINC001173273012 761254784 /nfs/dbraw/zinc/25/47/84/761254784.db2.gz MDFVSHHIASZLFJ-QWHCGFSZSA-N 1 0 197.366 3.684 20 0 AHADRO CC[C@H]1CC[C@H]([NH+](C(C)C)C(C)C)C1 ZINC001173273013 761245209 /nfs/dbraw/zinc/24/52/09/761245209.db2.gz MDFVSHHIASZLFJ-STQMWFEESA-N 1 0 197.366 3.684 20 0 AHADRO CCC[NH+](CCC)[C@@H]1CC[C@@H](CC)C1 ZINC001173273253 761254425 /nfs/dbraw/zinc/25/44/25/761254425.db2.gz MVLVKPZGMGTTLJ-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@H]1CC[C@@H](CC)C1 ZINC001173273255 761247977 /nfs/dbraw/zinc/24/79/77/761247977.db2.gz MVLVKPZGMGTTLJ-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@@H]1CC[C@H](CC)C1 ZINC001173273256 761244907 /nfs/dbraw/zinc/24/49/07/761244907.db2.gz MVLVKPZGMGTTLJ-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[NH+](CCC)[C@H]1CC[C@H](CC)C1 ZINC001173273258 761245183 /nfs/dbraw/zinc/24/51/83/761245183.db2.gz MVLVKPZGMGTTLJ-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCCCC[N@H+](C)[C@@H]1CC[C@@H](CC)C1 ZINC001173273637 761242771 /nfs/dbraw/zinc/24/27/71/761242771.db2.gz NUMCZWMLSPYKHV-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCC[N@H+](C)[C@H]1CC[C@@H](CC)C1 ZINC001173273639 761246865 /nfs/dbraw/zinc/24/68/65/761246865.db2.gz NUMCZWMLSPYKHV-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCC[N@H+](C)[C@@H]1CC[C@H](CC)C1 ZINC001173273641 761250725 /nfs/dbraw/zinc/25/07/25/761250725.db2.gz NUMCZWMLSPYKHV-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCC[N@H+](C)[C@H]1CC[C@H](CC)C1 ZINC001173273642 761253913 /nfs/dbraw/zinc/25/39/13/761253913.db2.gz NUMCZWMLSPYKHV-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CC)[C@@H]1CC[C@@H](CC)C1 ZINC001173274570 761254346 /nfs/dbraw/zinc/25/43/46/761254346.db2.gz RWIZEWMNKJUJPI-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CC)[C@H]1CC[C@@H](CC)C1 ZINC001173274571 761245097 /nfs/dbraw/zinc/24/50/97/761245097.db2.gz RWIZEWMNKJUJPI-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CC)[C@@H]1CC[C@H](CC)C1 ZINC001173274572 761241555 /nfs/dbraw/zinc/24/15/55/761241555.db2.gz RWIZEWMNKJUJPI-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CC)[C@H]1CC[C@H](CC)C1 ZINC001173274573 761251077 /nfs/dbraw/zinc/25/10/77/761251077.db2.gz RWIZEWMNKJUJPI-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H]1CC[C@H]([N@H+](C)CC(C)(C)C)C1 ZINC001173288193 761266517 /nfs/dbraw/zinc/26/65/17/761266517.db2.gz MDTWXILOCTUDGZ-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1CC[C@@H]([N@H+](C)CC(C)(C)C)C1 ZINC001173288194 761265343 /nfs/dbraw/zinc/26/53/43/761265343.db2.gz MDTWXILOCTUDGZ-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1CC[C@H]([N@H+](C)CC(C)(C)C)C1 ZINC001173288197 761263023 /nfs/dbraw/zinc/26/30/23/761263023.db2.gz MDTWXILOCTUDGZ-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1CC[C@@H]([N@H+](C)CC(C)(C)C)C1 ZINC001173288201 761257087 /nfs/dbraw/zinc/25/70/87/761257087.db2.gz MDTWXILOCTUDGZ-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)[N@H+](C)[C@H]1CC[C@H](CC)C1 ZINC001173292847 761265308 /nfs/dbraw/zinc/26/53/08/761265308.db2.gz INTSMTCYKHCGCR-AAEUAGOBSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](C)[C@@H]1CC[C@@H](CC)C1 ZINC001173292849 761264318 /nfs/dbraw/zinc/26/43/18/761264318.db2.gz INTSMTCYKHCGCR-DGCLKSJQSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](C)[C@@H]1CC[C@H](CC)C1 ZINC001173292850 761263447 /nfs/dbraw/zinc/26/34/47/761263447.db2.gz INTSMTCYKHCGCR-WCQYABFASA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)[N@H+](C)[C@H]1CC[C@@H](CC)C1 ZINC001173292851 761256631 /nfs/dbraw/zinc/25/66/31/761256631.db2.gz INTSMTCYKHCGCR-YPMHNXCESA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H]1CC[C@@H](C)[N@H+](CCC(C)C)C1 ZINC001174622528 761352399 /nfs/dbraw/zinc/35/23/99/761352399.db2.gz KWFZDONDNLMSAL-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@@H](CC)CCC[N@H+](C)CC ZINC001174724138 761354737 /nfs/dbraw/zinc/35/47/37/761354737.db2.gz GKNCALDRPVUOME-CYBMUJFWSA-N 1 0 199.382 3.935 20 0 AHADRO CCCC[C@H](CC)CCC[N@H+](C)CC ZINC001174724139 761352195 /nfs/dbraw/zinc/35/21/95/761352195.db2.gz GKNCALDRPVUOME-ZDUSSCGKSA-N 1 0 199.382 3.935 20 0 AHADRO CCC(CC)CCC[N@H+](C)CC1CC1 ZINC001174949516 761406825 /nfs/dbraw/zinc/40/68/25/761406825.db2.gz XLIPEHBKUXSEBD-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCC[N@@H+]1C[C@H](C)CC1(C)C ZINC001175757656 761416087 /nfs/dbraw/zinc/41/60/87/761416087.db2.gz GECFVVIGTMCNCK-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1C[C@@H](C)CC1(C)C ZINC001175757661 761420101 /nfs/dbraw/zinc/42/01/01/761420101.db2.gz GECFVVIGTMCNCK-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCCC[NH2+][C@@H]1CC=CC[C@H]1C ZINC001176872537 761455301 /nfs/dbraw/zinc/45/53/01/761455301.db2.gz ZEXYJVKSSKKAAT-CHWSQXEVSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[NH2+]C1CCC(CC)(CC)CC1 ZINC001177093926 761454075 /nfs/dbraw/zinc/45/40/75/761454075.db2.gz VWTYDFIFPRUBGR-UHFFFAOYSA-N 1 0 197.366 3.735 20 0 AHADRO CC[C@@H](C)C[NH2+]CCCCC(C)(C)C ZINC001177779466 761460905 /nfs/dbraw/zinc/46/09/05/761460905.db2.gz JKFPYUTUDVHWGI-GFCCVEGCSA-N 1 0 199.382 3.839 20 0 AHADRO CC[C@H](C)C[NH2+]CCCCC(C)(C)C ZINC001177779467 761458637 /nfs/dbraw/zinc/45/86/37/761458637.db2.gz JKFPYUTUDVHWGI-LBPRGKRZSA-N 1 0 199.382 3.839 20 0 AHADRO CCCCC[C@@H]([NH2+]C(C)C)C(C)(C)C ZINC001177849702 761461785 /nfs/dbraw/zinc/46/17/85/761461785.db2.gz BCEHNLOZCIXDNM-GFCCVEGCSA-N 1 0 199.382 3.979 20 0 AHADRO CCCCC[C@H]([NH2+]C(C)C)C(C)(C)C ZINC001177849703 761457441 /nfs/dbraw/zinc/45/74/41/761457441.db2.gz BCEHNLOZCIXDNM-LBPRGKRZSA-N 1 0 199.382 3.979 20 0 AHADRO CCCC[NH+](CCCC)C[C@H]1C[C@H]1C ZINC001179905664 761475541 /nfs/dbraw/zinc/47/55/41/761475541.db2.gz LPHKTABAEZYEOR-CHWSQXEVSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[NH+](CCCC)C[C@@H]1C[C@H]1C ZINC001179905665 761476926 /nfs/dbraw/zinc/47/69/26/761476926.db2.gz LPHKTABAEZYEOR-OLZOCXBDSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[NH+](CCCC)C[C@H]1C[C@@H]1C ZINC001179905666 761478236 /nfs/dbraw/zinc/47/82/36/761478236.db2.gz LPHKTABAEZYEOR-QWHCGFSZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[NH+](CCCC)C[C@@H]1C[C@@H]1C ZINC001179905667 761476720 /nfs/dbraw/zinc/47/67/20/761476720.db2.gz LPHKTABAEZYEOR-STQMWFEESA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCCC[N@H+](C)CCC1CC1 ZINC001179926519 761479022 /nfs/dbraw/zinc/47/90/22/761479022.db2.gz YWTRVNXLPKZZRD-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)[C@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001180166996 761482153 /nfs/dbraw/zinc/48/21/53/761482153.db2.gz YLACSBQBWBDWHP-NEPJUHHUSA-N 1 0 199.382 3.645 20 0 AHADRO CC(C)[C@@H](C)[N@H+](C)C[C@H](C)C(C)(C)C ZINC001180166997 761483906 /nfs/dbraw/zinc/48/39/06/761483906.db2.gz YLACSBQBWBDWHP-NWDGAFQWSA-N 1 0 199.382 3.645 20 0 AHADRO CC(C)[C@H](C)[N@H+](C)C[C@H](C)C(C)(C)C ZINC001180166998 761479748 /nfs/dbraw/zinc/47/97/48/761479748.db2.gz YLACSBQBWBDWHP-RYUDHWBXSA-N 1 0 199.382 3.645 20 0 AHADRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001180166999 761483076 /nfs/dbraw/zinc/48/30/76/761483076.db2.gz YLACSBQBWBDWHP-VXGBXAGGSA-N 1 0 199.382 3.645 20 0 AHADRO CC(C)CCCC[N@H+](C(C)C)C1CC1 ZINC001180178077 761480319 /nfs/dbraw/zinc/48/03/19/761480319.db2.gz NIFWTLGQQIXJCH-UHFFFAOYSA-N 1 0 197.366 3.686 20 0 AHADRO C[C@@H]([N@H+](C)CCC(C)(C)C)C(C)(C)C ZINC001180253423 761484211 /nfs/dbraw/zinc/48/42/11/761484211.db2.gz LTKZUBDWMQOHKM-LLVKDONJSA-N 1 0 199.382 3.789 20 0 AHADRO C[C@H]([N@H+](C)CCC(C)(C)C)C(C)(C)C ZINC001180253424 761484343 /nfs/dbraw/zinc/48/43/43/761484343.db2.gz LTKZUBDWMQOHKM-NSHDSACASA-N 1 0 199.382 3.789 20 0 AHADRO CCC[C@@H](C)[N@H+](C)CCCCC(C)C ZINC001180275195 761482524 /nfs/dbraw/zinc/48/25/24/761482524.db2.gz JKCSORMOPNWEJC-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@H](C)[N@H+](C)CCCCC(C)C ZINC001180275196 761483923 /nfs/dbraw/zinc/48/39/23/761483923.db2.gz JKCSORMOPNWEJC-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@@H](C)[N@H+](C)C[C@H](C)CC(C)C ZINC001180275252 761480384 /nfs/dbraw/zinc/48/03/84/761480384.db2.gz LDECZGCFNKARAO-CHWSQXEVSA-N 1 0 199.382 3.789 20 0 AHADRO CCC[C@H](C)[N@H+](C)C[C@H](C)CC(C)C ZINC001180275253 761482607 /nfs/dbraw/zinc/48/26/07/761482607.db2.gz LDECZGCFNKARAO-OLZOCXBDSA-N 1 0 199.382 3.789 20 0 AHADRO CCC[C@@H](C)[N@H+](C)C[C@@H](C)CC(C)C ZINC001180275254 761482804 /nfs/dbraw/zinc/48/28/04/761482804.db2.gz LDECZGCFNKARAO-QWHCGFSZSA-N 1 0 199.382 3.789 20 0 AHADRO CCC[C@H](C)[N@H+](C)C[C@@H](C)CC(C)C ZINC001180275255 761480289 /nfs/dbraw/zinc/48/02/89/761480289.db2.gz LDECZGCFNKARAO-STQMWFEESA-N 1 0 199.382 3.789 20 0 AHADRO CC[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC001180372036 761481852 /nfs/dbraw/zinc/48/18/52/761481852.db2.gz HASOMFAQAIDUBL-CHWSQXEVSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC001180372037 761483804 /nfs/dbraw/zinc/48/38/04/761483804.db2.gz HASOMFAQAIDUBL-OLZOCXBDSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC001180372038 761479626 /nfs/dbraw/zinc/47/96/26/761479626.db2.gz HASOMFAQAIDUBL-QWHCGFSZSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC001180372040 761483789 /nfs/dbraw/zinc/48/37/89/761483789.db2.gz HASOMFAQAIDUBL-STQMWFEESA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCCC[NH+]1CCCCCC1 ZINC001180372139 761482551 /nfs/dbraw/zinc/48/25/51/761482551.db2.gz KSKUFYNITYHZRS-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC(C)[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC001180431263 761489141 /nfs/dbraw/zinc/48/91/41/761489141.db2.gz WTWGMDDIGPZTLB-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC001180431264 761489045 /nfs/dbraw/zinc/48/90/45/761489045.db2.gz WTWGMDDIGPZTLB-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001180431372 761488275 /nfs/dbraw/zinc/48/82/75/761488275.db2.gz ZEYHFTZLEUSVDW-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001180431373 761489973 /nfs/dbraw/zinc/48/99/73/761489973.db2.gz ZEYHFTZLEUSVDW-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001180431374 761491004 /nfs/dbraw/zinc/49/10/04/761491004.db2.gz ZEYHFTZLEUSVDW-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001180431375 761487274 /nfs/dbraw/zinc/48/72/74/761487274.db2.gz ZEYHFTZLEUSVDW-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC001181931986 761528084 /nfs/dbraw/zinc/52/80/84/761528084.db2.gz AENQMBOPOPPSHR-UTUOFQBUSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC001181931993 761526060 /nfs/dbraw/zinc/52/60/60/761526060.db2.gz AENQMBOPOPPSHR-WOPDTQHZSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CCCC[N@H+](C)C(C)(C)C ZINC001182532835 761532713 /nfs/dbraw/zinc/53/27/13/761532713.db2.gz GJTDJNZJZWPLQQ-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO CC[C@@H]1CC[C@@H]1[NH2+]CCC(C)(C)CC ZINC001183270586 761546475 /nfs/dbraw/zinc/54/64/75/761546475.db2.gz WTMNTHZODNDAJD-NEPJUHHUSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CC[C@H]1[NH2+]CCC(C)(C)CC ZINC001183270593 761549382 /nfs/dbraw/zinc/54/93/82/761549382.db2.gz WTMNTHZODNDAJD-NWDGAFQWSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@H]1CC[C@@H]1[NH2+]CCC(C)(C)CC ZINC001183270594 761549048 /nfs/dbraw/zinc/54/90/48/761549048.db2.gz WTMNTHZODNDAJD-RYUDHWBXSA-N 1 0 197.366 3.591 20 0 AHADRO CC[C@@H]1CC[C@H]1[NH2+]CCC(C)(C)CC ZINC001183270596 761547517 /nfs/dbraw/zinc/54/75/17/761547517.db2.gz WTMNTHZODNDAJD-VXGBXAGGSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@@H](CC)C[N@H+](CC)C1CC1 ZINC001190331786 761592963 /nfs/dbraw/zinc/59/29/63/761592963.db2.gz MGEVSXBIYPYJNV-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@H](CC)C[N@H+](CC)C1CC1 ZINC001190331787 761594862 /nfs/dbraw/zinc/59/48/62/761594862.db2.gz MGEVSXBIYPYJNV-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CCCC(C)C)C1CC1 ZINC001190348575 761596233 /nfs/dbraw/zinc/59/62/33/761596233.db2.gz MNIQRAUSNQVRGH-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](C[C@H](C)CC(C)(C)C)C(C)C ZINC001190448179 761592461 /nfs/dbraw/zinc/59/24/61/761592461.db2.gz YCUHWACQUOQLOI-GFCCVEGCSA-N 1 0 199.382 3.789 20 0 AHADRO CC[N@H+](C[C@@H](C)CC(C)(C)C)C(C)C ZINC001190448184 761592132 /nfs/dbraw/zinc/59/21/32/761592132.db2.gz YCUHWACQUOQLOI-LBPRGKRZSA-N 1 0 199.382 3.789 20 0 AHADRO CCC[N@H+](CC(C)C)[C@H](C)[C@H](C)CC ZINC001190651989 761599206 /nfs/dbraw/zinc/59/92/06/761599206.db2.gz UDYHUAGMHOBFAI-CHWSQXEVSA-N 1 0 199.382 3.789 20 0 AHADRO CCC[N@H+](CC(C)C)[C@@H](C)[C@H](C)CC ZINC001190651990 761598647 /nfs/dbraw/zinc/59/86/47/761598647.db2.gz UDYHUAGMHOBFAI-OLZOCXBDSA-N 1 0 199.382 3.789 20 0 AHADRO CCC[N@H+](CC(C)C)[C@H](C)[C@@H](C)CC ZINC001190651991 761601726 /nfs/dbraw/zinc/60/17/26/761601726.db2.gz UDYHUAGMHOBFAI-QWHCGFSZSA-N 1 0 199.382 3.789 20 0 AHADRO CCC[N@H+](CC(C)C)[C@@H](C)[C@@H](C)CC ZINC001190651993 761600200 /nfs/dbraw/zinc/60/02/00/761600200.db2.gz UDYHUAGMHOBFAI-STQMWFEESA-N 1 0 199.382 3.789 20 0 AHADRO CCC1CC[NH+](CCCC(C)C)CC1 ZINC001190864844 761601791 /nfs/dbraw/zinc/60/17/91/761601791.db2.gz LVFYKYREWOZTCE-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@@H](C)C[N@@H+]1CCC[C@@H](CC)CC1 ZINC001190965263 761600485 /nfs/dbraw/zinc/60/04/85/761600485.db2.gz DVGCKKIRUKSFFN-CHWSQXEVSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@@H](C)C[N@@H+]1CCC[C@H](CC)CC1 ZINC001190965265 761603085 /nfs/dbraw/zinc/60/30/85/761603085.db2.gz DVGCKKIRUKSFFN-OLZOCXBDSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H](C)C[N@@H+]1CCC[C@@H](CC)CC1 ZINC001190965266 761602072 /nfs/dbraw/zinc/60/20/72/761602072.db2.gz DVGCKKIRUKSFFN-QWHCGFSZSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H](C)C[N@@H+]1CCC[C@H](CC)CC1 ZINC001190965268 761602843 /nfs/dbraw/zinc/60/28/43/761602843.db2.gz DVGCKKIRUKSFFN-STQMWFEESA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)(C)CCC[N@@H+]1CCCC1(C)C ZINC001191014042 761600887 /nfs/dbraw/zinc/60/08/87/761600887.db2.gz WDVMRGHCWHQFPQ-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO C[C@@H](C[N@H+](C)C1CCC1)CC(C)(C)C ZINC001191232806 761601830 /nfs/dbraw/zinc/60/18/30/761601830.db2.gz JNJFKIYHGIEEAM-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H](C[N@H+](C)C1CCC1)CC(C)(C)C ZINC001191232808 761602992 /nfs/dbraw/zinc/60/29/92/761602992.db2.gz JNJFKIYHGIEEAM-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](C)C[N@H+](CC)CCC1CCC1 ZINC001191375458 761598955 /nfs/dbraw/zinc/59/89/55/761598955.db2.gz SMXTUWWHCVJJMR-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H](C)C[N@H+](CC)CCC1CCC1 ZINC001191375459 761600953 /nfs/dbraw/zinc/60/09/53/761600953.db2.gz SMXTUWWHCVJJMR-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@@H](CC)C1 ZINC001191409982 761599173 /nfs/dbraw/zinc/59/91/73/761599173.db2.gz YQDKZBVYIFPFNU-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@H](CC)C1 ZINC001191409984 761602267 /nfs/dbraw/zinc/60/22/67/761602267.db2.gz YQDKZBVYIFPFNU-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(C)(C)CC[NH+](C(C)C)C(C)C ZINC001192500534 761615201 /nfs/dbraw/zinc/61/52/01/761615201.db2.gz IYBYSAAKBNPRID-UHFFFAOYSA-N 1 0 199.382 3.932 20 0 AHADRO CCC[N@H+](C[C@H](C)CC(C)C)C1CC1 ZINC001192526485 761611659 /nfs/dbraw/zinc/61/16/59/761611659.db2.gz ZNKDJJAJLINNEH-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](C[C@@H](C)CC(C)C)C1CC1 ZINC001192526486 761613026 /nfs/dbraw/zinc/61/30/26/761613026.db2.gz ZNKDJJAJLINNEH-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(C)(C)C ZINC001192645028 761614154 /nfs/dbraw/zinc/61/41/54/761614154.db2.gz FYWGENIAFXPAJV-NEPJUHHUSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(C)(C)C ZINC001192645030 761611244 /nfs/dbraw/zinc/61/12/44/761611244.db2.gz FYWGENIAFXPAJV-NWDGAFQWSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(C)(C)C ZINC001192645031 761614600 /nfs/dbraw/zinc/61/46/00/761614600.db2.gz FYWGENIAFXPAJV-RYUDHWBXSA-N 1 0 197.366 3.686 20 0 AHADRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(C)(C)C ZINC001192645032 761615750 /nfs/dbraw/zinc/61/57/50/761615750.db2.gz FYWGENIAFXPAJV-VXGBXAGGSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@H](CC)[C@@H]1C ZINC001193603572 761629243 /nfs/dbraw/zinc/62/92/43/761629243.db2.gz BZBOOFHIWPPIAR-AAEUAGOBSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@@H](CC)[C@H]1C ZINC001193603590 761627489 /nfs/dbraw/zinc/62/74/89/761627489.db2.gz BZBOOFHIWPPIAR-DGCLKSJQSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@@H](CC)[C@@H]1C ZINC001193603592 761629716 /nfs/dbraw/zinc/62/97/16/761629716.db2.gz BZBOOFHIWPPIAR-WCQYABFASA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@H](CC)[C@H]1C ZINC001193603595 761629968 /nfs/dbraw/zinc/62/99/68/761629968.db2.gz BZBOOFHIWPPIAR-YPMHNXCESA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCC(C)C ZINC001193672896 761626471 /nfs/dbraw/zinc/62/64/71/761626471.db2.gz AVXQIWVICFDRTG-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1[C@H](C)CC[N@@H+]1CCCC(C)C ZINC001193672897 761629278 /nfs/dbraw/zinc/62/92/78/761629278.db2.gz AVXQIWVICFDRTG-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCC(C)C ZINC001193672898 761628506 /nfs/dbraw/zinc/62/85/06/761628506.db2.gz AVXQIWVICFDRTG-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCC(C)C ZINC001193672900 761629953 /nfs/dbraw/zinc/62/99/53/761629953.db2.gz AVXQIWVICFDRTG-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CCC(C)(C)[N@H+](C)CCCC1CCC1 ZINC001194041924 761655937 /nfs/dbraw/zinc/65/59/37/761655937.db2.gz IFGZDPNTBKRCOF-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)CC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC001194041962 761657252 /nfs/dbraw/zinc/65/72/52/761657252.db2.gz IWJYKRMKVDEZOC-GFCCVEGCSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC001194041963 761658465 /nfs/dbraw/zinc/65/84/65/761658465.db2.gz IWJYKRMKVDEZOC-LBPRGKRZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H]([NH2+]CCC(C)C)C(C)(C)C ZINC001194427806 761672380 /nfs/dbraw/zinc/67/23/80/761672380.db2.gz WPBOFSIAALQKIX-GFCCVEGCSA-N 1 0 199.382 3.837 20 0 AHADRO CCC[C@H]([NH2+]CCC(C)C)C(C)(C)C ZINC001194427807 761674778 /nfs/dbraw/zinc/67/47/78/761674778.db2.gz WPBOFSIAALQKIX-LBPRGKRZSA-N 1 0 199.382 3.837 20 0 AHADRO CCCC[N@@H+]1CCC[C@]1(C)CC(C)C ZINC001194533400 761670703 /nfs/dbraw/zinc/67/07/03/761670703.db2.gz AIEMDQUWQHVCRL-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@@H+]1CCC[C@@]1(C)CC(C)C ZINC001194533401 761673892 /nfs/dbraw/zinc/67/38/92/761673892.db2.gz AIEMDQUWQHVCRL-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)[N@H+](CC)C[C@@H]1C[C@H]1CC ZINC001194782157 761676353 /nfs/dbraw/zinc/67/63/53/761676353.db2.gz NYRMPIFNVZWUFZ-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@@H](C)[N@H+](C)C[C@@H]1C[C@H]1CC ZINC001194873242 761676468 /nfs/dbraw/zinc/67/64/68/761676468.db2.gz DZZNNSKMTGJVLE-UPJWGTAASA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1CC ZINC001194873244 761678882 /nfs/dbraw/zinc/67/88/82/761678882.db2.gz DZZNNSKMTGJVLE-XQQFMLRXSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCCC[N@@H+]1CC(C)(C)C[C@H]1C ZINC001195195492 761696209 /nfs/dbraw/zinc/69/62/09/761696209.db2.gz ASZFQWLVTJYHJX-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCCC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC001195195495 761697229 /nfs/dbraw/zinc/69/72/29/761697229.db2.gz ASZFQWLVTJYHJX-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001195349937 761699832 /nfs/dbraw/zinc/69/98/32/761699832.db2.gz JHNKAYMEFVXRJI-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](C[N@H+](C)C(C)(C)C)CC(C)(C)C ZINC001195450904 761702029 /nfs/dbraw/zinc/70/20/29/761702029.db2.gz AFLOONCJZWIDBL-LLVKDONJSA-N 1 0 199.382 3.789 20 0 AHADRO C[C@H](C[N@H+](C)C(C)(C)C)CC(C)(C)C ZINC001195450911 761699411 /nfs/dbraw/zinc/69/94/11/761699411.db2.gz AFLOONCJZWIDBL-NSHDSACASA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)CCC[N@H+](C)CCC(C)(C)C ZINC001195497890 761698690 /nfs/dbraw/zinc/69/86/90/761698690.db2.gz LFROWVBEFYEGOX-UHFFFAOYSA-N 1 0 199.382 3.791 20 0 AHADRO CCC[N@H+](CCC1CCCC1)C(C)C ZINC001195596333 761700361 /nfs/dbraw/zinc/70/03/61/761700361.db2.gz MGHOBINMVSEUGB-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[N@H+](C)C1CC(C)(C)CC(C)(C)C1 ZINC001195963678 761708690 /nfs/dbraw/zinc/70/86/90/761708690.db2.gz SFXUBBNQYSWWCE-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001195994609 761705270 /nfs/dbraw/zinc/70/52/70/761705270.db2.gz FLOPUYGHXOUAKD-UHFFFAOYSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCCC[N@H+](CC)[C@H](C)CC ZINC001196038550 761709964 /nfs/dbraw/zinc/70/99/64/761709964.db2.gz BWNHBWVNYACVBH-GFCCVEGCSA-N 1 0 185.355 3.687 20 0 AHADRO CCCCCC[N@H+](CC)[C@@H](C)CC ZINC001196038551 761705676 /nfs/dbraw/zinc/70/56/76/761705676.db2.gz BWNHBWVNYACVBH-LBPRGKRZSA-N 1 0 185.355 3.687 20 0 AHADRO CCCCC[N@@H+]1C[C@H](CC)CC[C@H]1C ZINC001196175124 761705523 /nfs/dbraw/zinc/70/55/23/761705523.db2.gz GDVCGPLTCXSVJY-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001198935522 761723053 /nfs/dbraw/zinc/72/30/53/761723053.db2.gz ZJBJSTWUUZNOGO-CHWSQXEVSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@@H]1CC[C@H]([NH2+]C(C)C)C1 ZINC001198935524 761725498 /nfs/dbraw/zinc/72/54/98/761725498.db2.gz ZJBJSTWUUZNOGO-OLZOCXBDSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001198935525 761723631 /nfs/dbraw/zinc/72/36/31/761723631.db2.gz ZJBJSTWUUZNOGO-QWHCGFSZSA-N 1 0 197.366 3.589 20 0 AHADRO CC(C)CC[C@H]1CC[C@H]([NH2+]C(C)C)C1 ZINC001198935526 761721956 /nfs/dbraw/zinc/72/19/56/761721956.db2.gz ZJBJSTWUUZNOGO-STQMWFEESA-N 1 0 197.366 3.589 20 0 AHADRO CCC(CC)[N@H+](C)CC1CCCCC1 ZINC001201399857 761755225 /nfs/dbraw/zinc/75/52/25/761755225.db2.gz JHUNTNAZOKYVAB-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H]1CCCC[N@@H+]1CC(C)(C)C ZINC001201440265 761763012 /nfs/dbraw/zinc/76/30/12/761763012.db2.gz FZEQOPAHBYTDNI-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H]1CCCC[N@@H+]1CC(C)(C)C ZINC001201440266 761761388 /nfs/dbraw/zinc/76/13/88/761761388.db2.gz FZEQOPAHBYTDNI-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC1CC[NH+](CC(C)(C)C)CC1 ZINC001201440562 761760022 /nfs/dbraw/zinc/76/00/22/761760022.db2.gz SJWXQXXDYFXNMP-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)(C)C[NH+]1CCCCCCCC1 ZINC001201442319 761758531 /nfs/dbraw/zinc/75/85/31/761758531.db2.gz XAXOTLQAFYZMHR-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCC(CC)[N@H+](CC)CC(C)(C)C ZINC001201443017 761759644 /nfs/dbraw/zinc/75/96/44/761759644.db2.gz NPBSNQKWUHVIRW-UHFFFAOYSA-N 1 0 185.355 3.543 20 0 AHADRO C[C@H]1CC[C@H]([N@H+](C)CC(C)(C)C)CC1 ZINC001201446252 761759824 /nfs/dbraw/zinc/75/98/24/761759824.db2.gz AUBOGUUEVXHMOO-HAQNSBGRSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC1CC[NH+](CC(C)C)CC1 ZINC001201468035 761766503 /nfs/dbraw/zinc/76/65/03/761766503.db2.gz FEWJLVBXSXNBFD-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)=CCC[C@@H](C)C[N@H+](C)C(C)C ZINC001201482060 761763421 /nfs/dbraw/zinc/76/34/21/761763421.db2.gz CTKHNTBOUKJNFN-CYBMUJFWSA-N 1 0 197.366 3.709 20 0 AHADRO CC(C)=CCC[C@H](C)C[N@H+](C)C(C)C ZINC001201482061 761767464 /nfs/dbraw/zinc/76/74/64/761767464.db2.gz CTKHNTBOUKJNFN-ZDUSSCGKSA-N 1 0 197.366 3.709 20 0 AHADRO CCC[N@H+](C)C[C@H](C)CCC=C(C)C ZINC001201482102 761766994 /nfs/dbraw/zinc/76/69/94/761766994.db2.gz DQSXDZUKEQJSFF-CYBMUJFWSA-N 1 0 197.366 3.711 20 0 AHADRO CCC[N@H+](C)C[C@@H](C)CCC=C(C)C ZINC001201482103 761763925 /nfs/dbraw/zinc/76/39/25/761763925.db2.gz DQSXDZUKEQJSFF-ZDUSSCGKSA-N 1 0 197.366 3.711 20 0 AHADRO CC[NH+](CC)C[C@H](C)CCC=C(C)C ZINC001201482748 761768153 /nfs/dbraw/zinc/76/81/53/761768153.db2.gz NCAPPYRDGNQHNQ-CYBMUJFWSA-N 1 0 197.366 3.711 20 0 AHADRO CC[NH+](CC)C[C@@H](C)CCC=C(C)C ZINC001201482749 761765308 /nfs/dbraw/zinc/76/53/08/761765308.db2.gz NCAPPYRDGNQHNQ-ZDUSSCGKSA-N 1 0 197.366 3.711 20 0 AHADRO CCC[N@H+](C[C@H](C)CC)[C@@H](C)CC ZINC001201499757 761772195 /nfs/dbraw/zinc/77/21/95/761772195.db2.gz PYIUGJQSQDFTOB-NEPJUHHUSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[N@H+](C[C@@H](C)CC)[C@H](C)CC ZINC001201499758 761770942 /nfs/dbraw/zinc/77/09/42/761770942.db2.gz PYIUGJQSQDFTOB-NWDGAFQWSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[N@H+](C[C@@H](C)CC)[C@@H](C)CC ZINC001201499760 761771127 /nfs/dbraw/zinc/77/11/27/761771127.db2.gz PYIUGJQSQDFTOB-RYUDHWBXSA-N 1 0 185.355 3.543 20 0 AHADRO CCC[N@H+](C[C@H](C)CC)[C@H](C)CC ZINC001201499761 761773515 /nfs/dbraw/zinc/77/35/15/761773515.db2.gz PYIUGJQSQDFTOB-VXGBXAGGSA-N 1 0 185.355 3.543 20 0 AHADRO CCCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001201511658 761772632 /nfs/dbraw/zinc/77/26/32/761772632.db2.gz SUJZPEGHUXILPF-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001201511659 761769532 /nfs/dbraw/zinc/76/95/32/761769532.db2.gz SUJZPEGHUXILPF-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H]1CCCC[N@@H+]1C[C@H](C)CC ZINC001201511796 761770059 /nfs/dbraw/zinc/77/00/59/761770059.db2.gz YTBSQWGTYMHJSC-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H]1CCCC[N@@H+]1C[C@H](C)CC ZINC001201511797 761771985 /nfs/dbraw/zinc/77/19/85/761771985.db2.gz YTBSQWGTYMHJSC-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](C)CC ZINC001201511798 761771172 /nfs/dbraw/zinc/77/11/72/761771172.db2.gz YTBSQWGTYMHJSC-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H]1CCCC[N@@H+]1C[C@@H](C)CC ZINC001201511799 761773501 /nfs/dbraw/zinc/77/35/01/761773501.db2.gz YTBSQWGTYMHJSC-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC(CC)CC)[C@H](C)CC ZINC001201520469 761778528 /nfs/dbraw/zinc/77/85/28/761778528.db2.gz ACGQNZYFKSCMJZ-GFCCVEGCSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[N@H+](CC(CC)CC)[C@@H](C)CC ZINC001201520470 761778311 /nfs/dbraw/zinc/77/83/11/761778311.db2.gz ACGQNZYFKSCMJZ-LBPRGKRZSA-N 1 0 199.382 3.933 20 0 AHADRO CCCCC[N@H+](C)CC(CC)CC ZINC001201520628 761778408 /nfs/dbraw/zinc/77/84/08/761778408.db2.gz IAQXDIMAIOTZFK-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CCC(CC)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC001201521287 761775709 /nfs/dbraw/zinc/77/57/09/761775709.db2.gz SEGIHJXWQMMGOL-RYUDHWBXSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)C[NH+]1[C@H](C)CCC[C@H]1C ZINC001201521288 761776951 /nfs/dbraw/zinc/77/69/51/761776951.db2.gz SEGIHJXWQMMGOL-VXGBXAGGSA-N 1 0 197.366 3.686 20 0 AHADRO CCC(CC)C[N@H+](C)C1CCCCC1 ZINC001201521809 761775639 /nfs/dbraw/zinc/77/56/39/761775639.db2.gz ZHXVWWDWJACVCF-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H](C)C[N@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201521811 761777192 /nfs/dbraw/zinc/77/71/92/761777192.db2.gz ZIWMRGZKNSSPTR-AVGNSLFASA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](C)C[N@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201521812 761778495 /nfs/dbraw/zinc/77/84/95/761778495.db2.gz ZIWMRGZKNSSPTR-JHJVBQTASA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@@H](C)CC1 ZINC001201523217 761775590 /nfs/dbraw/zinc/77/55/90/761775590.db2.gz GBSJRGWMMGDFRV-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@H](C)CC1 ZINC001201523218 761778898 /nfs/dbraw/zinc/77/88/98/761778898.db2.gz GBSJRGWMMGDFRV-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@@H+]1CCCC[C@@H](C)C1 ZINC001201523745 761777233 /nfs/dbraw/zinc/77/72/33/761777233.db2.gz WIYQFBYZFGMRDE-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@@H+]1CCCC[C@H](C)C1 ZINC001201523746 761778463 /nfs/dbraw/zinc/77/84/63/761778463.db2.gz WIYQFBYZFGMRDE-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[NH+]1CCC(C)(C)CC1 ZINC001201530974 761775728 /nfs/dbraw/zinc/77/57/28/761775728.db2.gz IEGDYCKTKLSAOJ-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC001201531228 761776439 /nfs/dbraw/zinc/77/64/39/761776439.db2.gz JHNKAYMEFVXRJI-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@H](C)C[C@H]1C ZINC001201531229 761778533 /nfs/dbraw/zinc/77/85/33/761778533.db2.gz JHNKAYMEFVXRJI-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001201531231 761776757 /nfs/dbraw/zinc/77/67/57/761776757.db2.gz JHNKAYMEFVXRJI-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001201531936 761776398 /nfs/dbraw/zinc/77/63/98/761776398.db2.gz ZBRARUIJQLHPFW-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC001201531937 761778477 /nfs/dbraw/zinc/77/84/77/761778477.db2.gz ZBRARUIJQLHPFW-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC001201531938 761774670 /nfs/dbraw/zinc/77/46/70/761774670.db2.gz ZBRARUIJQLHPFW-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001201531939 761777290 /nfs/dbraw/zinc/77/72/90/761777290.db2.gz ZBRARUIJQLHPFW-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC001201534143 761777288 /nfs/dbraw/zinc/77/72/88/761777288.db2.gz BFIQTLNSAZCRKM-AVGNSLFASA-N 1 0 197.366 3.686 20 0 AHADRO CCC[C@H](C)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC001201534144 761777361 /nfs/dbraw/zinc/77/73/61/761777361.db2.gz BFIQTLNSAZCRKM-RWMBFGLXSA-N 1 0 197.366 3.686 20 0 AHADRO CCC[C@@H](C)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC001201534145 761774626 /nfs/dbraw/zinc/77/46/26/761774626.db2.gz BFIQTLNSAZCRKM-UPJWGTAASA-N 1 0 197.366 3.686 20 0 AHADRO CCC[C@H](C)C[NH+]1[C@H](C)CCC[C@H]1C ZINC001201534146 761776012 /nfs/dbraw/zinc/77/60/12/761776012.db2.gz BFIQTLNSAZCRKM-YNEHKIRRSA-N 1 0 197.366 3.686 20 0 AHADRO CCC[C@@H](C)C[N@H+](C)C1CCCCC1 ZINC001201534485 761774420 /nfs/dbraw/zinc/77/44/20/761774420.db2.gz JVHVPAXLFHHKOY-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)C[N@H+](C)C1CCCCC1 ZINC001201534487 761778810 /nfs/dbraw/zinc/77/88/10/761778810.db2.gz JVHVPAXLFHHKOY-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)C[N@@H+]1CCCC[C@@H]1CC ZINC001201534492 761776379 /nfs/dbraw/zinc/77/63/79/761776379.db2.gz JYPTVPHOALHWIS-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H](C)C[N@H+](CCC)CC1CC1 ZINC001201534763 761777705 /nfs/dbraw/zinc/77/77/05/761777705.db2.gz RJZZLSYCGGGBGK-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@H+](CCC)CC1CC1 ZINC001201534764 761776916 /nfs/dbraw/zinc/77/69/16/761776916.db2.gz RJZZLSYCGGGBGK-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@@H]1C(C)C ZINC001201534894 761776579 /nfs/dbraw/zinc/77/65/79/761776579.db2.gz CMYWSVXHYAATLB-CYBMUJFWSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCC[C@H]1C(C)C ZINC001201534895 761777937 /nfs/dbraw/zinc/77/79/37/761777937.db2.gz CMYWSVXHYAATLB-ZDUSSCGKSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)C[N@@H+]1CCCC[C@H]1CC ZINC001201535327 761778650 /nfs/dbraw/zinc/77/86/50/761778650.db2.gz JYPTVPHOALHWIS-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)C[N@H+](C)CC1CCCC1 ZINC001201536048 761775104 /nfs/dbraw/zinc/77/51/04/761775104.db2.gz UQDNMZUGXFOHGD-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCC(CC)C[N@H+](CC)C(CC)CC ZINC001201536204 761774730 /nfs/dbraw/zinc/77/47/30/761774730.db2.gz VISRNHYWOHKGBF-UHFFFAOYSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@@H](C)C[NH+]1CCC(CC)CC1 ZINC001201538212 761776216 /nfs/dbraw/zinc/77/62/16/761776216.db2.gz BSSAXBLLDDBEBZ-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[NH+]1CCC(CC)CC1 ZINC001201538213 761778431 /nfs/dbraw/zinc/77/84/31/761778431.db2.gz BSSAXBLLDDBEBZ-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H](C)C1 ZINC001201538329 761774648 /nfs/dbraw/zinc/77/46/48/761774648.db2.gz DYKXTMNFTRIOAF-CHWSQXEVSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCCC[C@H](C)C1 ZINC001201538330 761774384 /nfs/dbraw/zinc/77/43/84/761774384.db2.gz DYKXTMNFTRIOAF-OLZOCXBDSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCCC[C@@H](C)C1 ZINC001201538331 761777677 /nfs/dbraw/zinc/77/76/77/761777677.db2.gz DYKXTMNFTRIOAF-QWHCGFSZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCCC[C@H](C)C1 ZINC001201538332 761778765 /nfs/dbraw/zinc/77/87/65/761778765.db2.gz DYKXTMNFTRIOAF-STQMWFEESA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](C)CC1 ZINC001201538568 761778570 /nfs/dbraw/zinc/77/85/70/761778570.db2.gz JYJLWRQZPYWSES-CHWSQXEVSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H](C)CC1 ZINC001201538569 761775971 /nfs/dbraw/zinc/77/59/71/761775971.db2.gz JYJLWRQZPYWSES-OLZOCXBDSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H](C)CC1 ZINC001201538570 761775687 /nfs/dbraw/zinc/77/56/87/761775687.db2.gz JYJLWRQZPYWSES-QWHCGFSZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H](C)CC1 ZINC001201538571 761778745 /nfs/dbraw/zinc/77/87/45/761778745.db2.gz JYJLWRQZPYWSES-STQMWFEESA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@H+](CC)C[C@H](C)CCC ZINC001201539035 761777130 /nfs/dbraw/zinc/77/71/30/761777130.db2.gz OFOPKNZJLNEAKJ-GFCCVEGCSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[N@H+](CC)C[C@@H](C)CCC ZINC001201539036 761778398 /nfs/dbraw/zinc/77/83/98/761778398.db2.gz OFOPKNZJLNEAKJ-LBPRGKRZSA-N 1 0 185.355 3.545 20 0 AHADRO CCC[C@@H](C)C[N@H+](CCC)[C@H](C)CC ZINC001201539204 761784168 /nfs/dbraw/zinc/78/41/68/761784168.db2.gz ROALPUPPSWTMPL-CHWSQXEVSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@@H](C)C[N@H+](CCC)[C@@H](C)CC ZINC001201539205 761782144 /nfs/dbraw/zinc/78/21/44/761782144.db2.gz ROALPUPPSWTMPL-OLZOCXBDSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@H](C)C[N@H+](CCC)[C@H](C)CC ZINC001201539206 761780764 /nfs/dbraw/zinc/78/07/64/761780764.db2.gz ROALPUPPSWTMPL-QWHCGFSZSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@H](C)C[N@H+](CCC)[C@@H](C)CC ZINC001201539207 761782825 /nfs/dbraw/zinc/78/28/25/761782825.db2.gz ROALPUPPSWTMPL-STQMWFEESA-N 1 0 199.382 3.933 20 0 AHADRO CCCCC[N@H+](C)C[C@H](C)CCC ZINC001201539541 761782197 /nfs/dbraw/zinc/78/21/97/761782197.db2.gz WQZQTGVUFFXNHI-GFCCVEGCSA-N 1 0 185.355 3.545 20 0 AHADRO CCCCC[N@H+](C)C[C@@H](C)CCC ZINC001201539543 761782659 /nfs/dbraw/zinc/78/26/59/761782659.db2.gz WQZQTGVUFFXNHI-LBPRGKRZSA-N 1 0 185.355 3.545 20 0 AHADRO CCC[C@@H](C)C[NH+](CCC)CCC ZINC001201539890 761784686 /nfs/dbraw/zinc/78/46/86/761784686.db2.gz XPVSFDUYYKTYRI-GFCCVEGCSA-N 1 0 185.355 3.545 20 0 AHADRO CCC[C@H](C)C[NH+](CCC)CCC ZINC001201539893 761783247 /nfs/dbraw/zinc/78/32/47/761783247.db2.gz XPVSFDUYYKTYRI-LBPRGKRZSA-N 1 0 185.355 3.545 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCCCC[C@H]1C ZINC001201549840 761781731 /nfs/dbraw/zinc/78/17/31/761781731.db2.gz DKEFUGDIMMPABK-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1C ZINC001201549842 761783061 /nfs/dbraw/zinc/78/30/61/761783061.db2.gz DKEFUGDIMMPABK-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCCCC[C@H]1C ZINC001201549843 761780298 /nfs/dbraw/zinc/78/02/98/761780298.db2.gz DKEFUGDIMMPABK-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCCCC[C@@H]1C ZINC001201549844 761780141 /nfs/dbraw/zinc/78/01/41/761780141.db2.gz DKEFUGDIMMPABK-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H](C)C[NH+]1CCC(C)(C)CC1 ZINC001201550556 761783760 /nfs/dbraw/zinc/78/37/60/761783760.db2.gz KPUQVVBOHJXBAK-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[NH+]1CCC(C)(C)CC1 ZINC001201550557 761779830 /nfs/dbraw/zinc/77/98/30/761779830.db2.gz KPUQVVBOHJXBAK-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC001201551075 761782778 /nfs/dbraw/zinc/78/27/78/761782778.db2.gz OGCWNLCYDIUSSG-AVGNSLFASA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC001201551076 761784229 /nfs/dbraw/zinc/78/42/29/761784229.db2.gz OGCWNLCYDIUSSG-RWMBFGLXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001201551077 761782133 /nfs/dbraw/zinc/78/21/33/761782133.db2.gz OGCWNLCYDIUSSG-XQQFMLRXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001201551078 761783439 /nfs/dbraw/zinc/78/34/39/761783439.db2.gz OGCWNLCYDIUSSG-YNEHKIRRSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)C[N@H+](CC)C(CC)CC ZINC001201551920 761782415 /nfs/dbraw/zinc/78/24/15/761782415.db2.gz GPDYDJZPTIWDOO-GFCCVEGCSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@H](C)C[N@H+](CC)C(CC)CC ZINC001201551921 761780597 /nfs/dbraw/zinc/78/05/97/761780597.db2.gz GPDYDJZPTIWDOO-LBPRGKRZSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](CC)C1 ZINC001201552606 761781369 /nfs/dbraw/zinc/78/13/69/761781369.db2.gz OJWIPWHQCGDGQR-CHWSQXEVSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H](CC)C1 ZINC001201552607 761784649 /nfs/dbraw/zinc/78/46/49/761784649.db2.gz OJWIPWHQCGDGQR-OLZOCXBDSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H](CC)C1 ZINC001201552608 761780369 /nfs/dbraw/zinc/78/03/69/761780369.db2.gz OJWIPWHQCGDGQR-QWHCGFSZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H](CC)C1 ZINC001201552609 761783094 /nfs/dbraw/zinc/78/30/94/761783094.db2.gz OJWIPWHQCGDGQR-STQMWFEESA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC001201552610 761782606 /nfs/dbraw/zinc/78/26/06/761782606.db2.gz OMAXOHZUJSOYHW-AGIUHOORSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001201552611 761780655 /nfs/dbraw/zinc/78/06/55/761780655.db2.gz OMAXOHZUJSOYHW-AVGNSLFASA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001201552612 761782181 /nfs/dbraw/zinc/78/21/81/761782181.db2.gz OMAXOHZUJSOYHW-FRRDWIJNSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CC[C@H](C)C[C@H]1C ZINC001201552613 761784311 /nfs/dbraw/zinc/78/43/11/761784311.db2.gz OMAXOHZUJSOYHW-RWMBFGLXSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCCC[C@H]1CC ZINC001201552913 761780110 /nfs/dbraw/zinc/78/01/10/761780110.db2.gz VNHIGWQAQYRRFZ-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CC ZINC001201552914 761780273 /nfs/dbraw/zinc/78/02/73/761780273.db2.gz VNHIGWQAQYRRFZ-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCCC[C@H]1CC ZINC001201552915 761783070 /nfs/dbraw/zinc/78/30/70/761783070.db2.gz VNHIGWQAQYRRFZ-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1CC ZINC001201552916 761784369 /nfs/dbraw/zinc/78/43/69/761784369.db2.gz VNHIGWQAQYRRFZ-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCC[C@@H](C)C[N@H+](C)CC1CCCC1 ZINC001201553077 761780947 /nfs/dbraw/zinc/78/09/47/761780947.db2.gz ZYKPTTZNTZXFAW-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@H](C)C[N@H+](C)CC1CCCC1 ZINC001201553078 761782704 /nfs/dbraw/zinc/78/27/04/761782704.db2.gz ZYKPTTZNTZXFAW-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1C(C)C ZINC001201554071 761783126 /nfs/dbraw/zinc/78/31/26/761783126.db2.gz TXRXFHKNEWOKRG-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1C(C)C ZINC001201554072 761784548 /nfs/dbraw/zinc/78/45/48/761784548.db2.gz TXRXFHKNEWOKRG-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1C(C)C ZINC001201554073 761781841 /nfs/dbraw/zinc/78/18/41/761781841.db2.gz TXRXFHKNEWOKRG-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CCC[C@H](C)C[N@@H+]1CCC[C@H]1C(C)C ZINC001201554074 761781425 /nfs/dbraw/zinc/78/14/25/761781425.db2.gz TXRXFHKNEWOKRG-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[C@@H](CC)C[N@H+](C)[C@H](C)CC ZINC001201558350 761781663 /nfs/dbraw/zinc/78/16/63/761781663.db2.gz BIXQIVOXKPNJJG-CHWSQXEVSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@H](CC)C[N@H+](C)[C@H](C)CC ZINC001201558351 761785066 /nfs/dbraw/zinc/78/50/66/761785066.db2.gz BIXQIVOXKPNJJG-OLZOCXBDSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@@H](CC)C[N@H+](C)[C@@H](C)CC ZINC001201558352 761783342 /nfs/dbraw/zinc/78/33/42/761783342.db2.gz BIXQIVOXKPNJJG-QWHCGFSZSA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@H](CC)C[N@H+](C)[C@@H](C)CC ZINC001201558353 761780086 /nfs/dbraw/zinc/78/00/86/761780086.db2.gz BIXQIVOXKPNJJG-STQMWFEESA-N 1 0 199.382 3.933 20 0 AHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@H]1C ZINC001201562273 761783891 /nfs/dbraw/zinc/78/38/91/761783891.db2.gz ARWJFLVLSSYIJJ-CHWSQXEVSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@H]1C ZINC001201562274 761782269 /nfs/dbraw/zinc/78/22/69/761782269.db2.gz ARWJFLVLSSYIJJ-OLZOCXBDSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H]1C ZINC001201562276 761782102 /nfs/dbraw/zinc/78/21/02/761782102.db2.gz ARWJFLVLSSYIJJ-QWHCGFSZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@H]1C ZINC001201562277 761784082 /nfs/dbraw/zinc/78/40/82/761784082.db2.gz ARWJFLVLSSYIJJ-STQMWFEESA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[C@@H](CC)C[N@H+](C)CC1CC1 ZINC001201562958 761782744 /nfs/dbraw/zinc/78/27/44/761782744.db2.gz JRYANXLXMXZXGR-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[C@H](CC)C[N@H+](C)CC1CC1 ZINC001201562959 761780810 /nfs/dbraw/zinc/78/08/10/761780810.db2.gz JRYANXLXMXZXGR-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[C@@H](CC)C[N@H+](C)CCC ZINC001201563152 761785460 /nfs/dbraw/zinc/78/54/60/761785460.db2.gz LNNNGGJEZYBFRA-GFCCVEGCSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[C@H](CC)C[N@H+](C)CCC ZINC001201563153 761781247 /nfs/dbraw/zinc/78/12/47/761781247.db2.gz LNNNGGJEZYBFRA-LBPRGKRZSA-N 1 0 185.355 3.545 20 0 AHADRO CCCC[C@@H](CC)C[NH+]1CC(C)(C)C1 ZINC001201563364 761785320 /nfs/dbraw/zinc/78/53/20/761785320.db2.gz OQAJJMZDUAMJLL-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[C@H](CC)C[NH+]1CC(C)(C)C1 ZINC001201563365 761781111 /nfs/dbraw/zinc/78/11/11/761781111.db2.gz OQAJJMZDUAMJLL-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[C@@H](CC)C[N@@H+]1CC[C@@H](C)C1 ZINC001201564238 761782349 /nfs/dbraw/zinc/78/23/49/761782349.db2.gz VZUUPXSAYUXYOH-CHWSQXEVSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@@H](C)C1 ZINC001201564239 761780399 /nfs/dbraw/zinc/78/03/99/761780399.db2.gz VZUUPXSAYUXYOH-OLZOCXBDSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[C@@H](CC)C[N@@H+]1CC[C@H](C)C1 ZINC001201564240 761781209 /nfs/dbraw/zinc/78/12/09/761781209.db2.gz VZUUPXSAYUXYOH-QWHCGFSZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[C@H](CC)C[N@@H+]1CC[C@H](C)C1 ZINC001201564241 761785539 /nfs/dbraw/zinc/78/55/39/761785539.db2.gz VZUUPXSAYUXYOH-STQMWFEESA-N 1 0 197.366 3.545 20 0 AHADRO CCCC1CC[NH+](CCC(C)C)CC1 ZINC001201619833 761796895 /nfs/dbraw/zinc/79/68/95/761796895.db2.gz DLIWZAWCCQRCRW-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@H+](CCC)CCC(C)C ZINC001201620180 761798938 /nfs/dbraw/zinc/79/89/38/761798938.db2.gz IUELLUKSNVSHEJ-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC(C)CC[NH+]1CCCCCCCC1 ZINC001201629820 761799394 /nfs/dbraw/zinc/79/93/94/761799394.db2.gz DDEZQPXGOPDBCI-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC(C)CC[N@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201630601 761800187 /nfs/dbraw/zinc/80/01/87/761800187.db2.gz CMEDNGQKTONHAS-JOCQHMNTSA-N 1 0 197.366 3.543 20 0 AHADRO CCCCC1CC[NH+](CCCC)CC1 ZINC001201704256 761805191 /nfs/dbraw/zinc/80/51/91/761805191.db2.gz NZVGYBNFWCJLKA-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCCC[N@H+](CCC)[C@H](C)CC ZINC001201725152 761806644 /nfs/dbraw/zinc/80/66/44/761806644.db2.gz HRKJWPKOVSTJRC-GFCCVEGCSA-N 1 0 185.355 3.687 20 0 AHADRO CCCCC[N@H+](CCC)[C@@H](C)CC ZINC001201725153 761808117 /nfs/dbraw/zinc/80/81/17/761808117.db2.gz HRKJWPKOVSTJRC-LBPRGKRZSA-N 1 0 185.355 3.687 20 0 AHADRO CCCCC[N@@H+]1CCC12CCCCC2 ZINC001201725639 761807712 /nfs/dbraw/zinc/80/77/12/761807712.db2.gz SEKVTURDTLGWNO-UHFFFAOYSA-N 1 0 195.350 3.585 20 0 AHADRO CCCCC[N@H+](CC)C(CC)CC ZINC001201737637 761809641 /nfs/dbraw/zinc/80/96/41/761809641.db2.gz ZISBSXNCORXTCL-UHFFFAOYSA-N 1 0 185.355 3.687 20 0 AHADRO CCCCCC[N@@H+]1CCC12CCCC2 ZINC001201742977 761810542 /nfs/dbraw/zinc/81/05/42/761810542.db2.gz DJLHFMHARLROID-UHFFFAOYSA-N 1 0 195.350 3.585 20 0 AHADRO CCCCC[N@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001201744659 761809862 /nfs/dbraw/zinc/80/98/62/761809862.db2.gz NMOLWUTVPKDZEQ-JOCQHMNTSA-N 1 0 197.366 3.687 20 0 AHADRO CCCCCC[N@@H+]1CCCCC12CC2 ZINC001201753966 761811312 /nfs/dbraw/zinc/81/13/12/761811312.db2.gz GXXMXUHRPJCKBX-UHFFFAOYSA-N 1 0 195.350 3.585 20 0 AHADRO CCCCCC[N@H+](C)C[C@H]1CC1(C)C ZINC001201754113 761809453 /nfs/dbraw/zinc/80/94/53/761809453.db2.gz MKCMPYKCCYJFOP-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCCCCC[N@H+](C)C[C@@H]1CC1(C)C ZINC001201754114 761809934 /nfs/dbraw/zinc/80/99/34/761809934.db2.gz MKCMPYKCCYJFOP-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CC[N@H+](C)CC[C@H](C)CCC=C(C)C ZINC001201975968 761814677 /nfs/dbraw/zinc/81/46/77/761814677.db2.gz LAZXYMRCGHSZRV-CYBMUJFWSA-N 1 0 197.366 3.711 20 0 AHADRO CC[N@H+](C)CC[C@@H](C)CCC=C(C)C ZINC001201975969 761813022 /nfs/dbraw/zinc/81/30/22/761813022.db2.gz LAZXYMRCGHSZRV-ZDUSSCGKSA-N 1 0 197.366 3.711 20 0 AHADRO CCC[N@H+](CCC(C)(C)C)[C@H](C)CC ZINC001202055215 761815708 /nfs/dbraw/zinc/81/57/08/761815708.db2.gz DNHFULOECVFBNJ-GFCCVEGCSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[N@H+](CCC(C)(C)C)[C@@H](C)CC ZINC001202055216 761816164 /nfs/dbraw/zinc/81/61/64/761816164.db2.gz DNHFULOECVFBNJ-LBPRGKRZSA-N 1 0 199.382 3.933 20 0 AHADRO C[C@@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001202055258 761816702 /nfs/dbraw/zinc/81/67/02/761816702.db2.gz FPRWAHFUHTWEDT-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO C[C@H]1CCCC[N@H+](CCC(C)(C)C)C1 ZINC001202055259 761816096 /nfs/dbraw/zinc/81/60/96/761816096.db2.gz FPRWAHFUHTWEDT-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCCC[N@H+](C)CCC(C)(C)C ZINC001202055545 761815230 /nfs/dbraw/zinc/81/52/30/761815230.db2.gz MKOGVPNKJYPZIH-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO C[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001202079127 761815931 /nfs/dbraw/zinc/81/59/31/761815931.db2.gz XEOBHLXEVOXDRX-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO C[C@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001202079129 761815523 /nfs/dbraw/zinc/81/55/23/761815523.db2.gz XEOBHLXEVOXDRX-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO C[C@@H]1CC[N@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001202087184 761815952 /nfs/dbraw/zinc/81/59/52/761815952.db2.gz QTBASDIOYPOMQH-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCC(C)(C)C ZINC001202087185 761816906 /nfs/dbraw/zinc/81/69/06/761816906.db2.gz QTBASDIOYPOMQH-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001202087186 761816571 /nfs/dbraw/zinc/81/65/71/761816571.db2.gz QTBASDIOYPOMQH-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H]1CC[N@H+](CCC(C)(C)C)[C@H](C)C1 ZINC001202087187 761815304 /nfs/dbraw/zinc/81/53/04/761815304.db2.gz QTBASDIOYPOMQH-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)[N@H+](CC)CCC(C)(C)C ZINC001202096191 761816262 /nfs/dbraw/zinc/81/62/62/761816262.db2.gz JFTAAWOFTWTIGL-UHFFFAOYSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[N@H+](CC1CCCC1)[C@H](C)CC ZINC001202120085 761815155 /nfs/dbraw/zinc/81/51/55/761815155.db2.gz GEZSKZHXBGMPGB-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC1CCCC1)[C@@H](C)CC ZINC001202120086 761815832 /nfs/dbraw/zinc/81/58/32/761815832.db2.gz GEZSKZHXBGMPGB-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCCC[N@H+](CCC)CC1CCCC1 ZINC001202166642 761816725 /nfs/dbraw/zinc/81/67/25/761816725.db2.gz FFTNUKDJMPBWHH-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCC(CC)[N@H+](CC)CC1CCCC1 ZINC001202177850 761816709 /nfs/dbraw/zinc/81/67/09/761816709.db2.gz BJYVGQNQKXWDLA-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)C[NH2+]C1(C)CCC(C)(C)CC1 ZINC001203379921 761843523 /nfs/dbraw/zinc/84/35/23/761843523.db2.gz RDPWIDKKNCKWRP-UHFFFAOYSA-N 1 0 197.366 3.591 20 0 AHADRO CCC[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC001204422852 761853679 /nfs/dbraw/zinc/85/36/79/761853679.db2.gz RZIQSFIZINIQTR-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO CCC[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC001204422853 761853060 /nfs/dbraw/zinc/85/30/60/761853060.db2.gz RZIQSFIZINIQTR-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC001204626113 761860890 /nfs/dbraw/zinc/86/08/90/761860890.db2.gz ZIWMRGZKNSSPTR-HIFPTAJRSA-N 1 0 197.366 3.543 20 0 AHADRO CC[C@@H](C)C[N@H+](C)C1CCC(C)CC1 ZINC001204626114 761860455 /nfs/dbraw/zinc/86/04/55/761860455.db2.gz ZIWMRGZKNSSPTR-PNESKVBLSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@H+](C)[C@H](C)C(C)(C)C ZINC001204850243 761865736 /nfs/dbraw/zinc/86/57/36/761865736.db2.gz AESYKZDTIWHCRL-GFCCVEGCSA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)CCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC001204850244 761865661 /nfs/dbraw/zinc/86/56/61/761865661.db2.gz AESYKZDTIWHCRL-LBPRGKRZSA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)CCCC[N@@H+]1CCCC[C@H]1C ZINC001205099949 761899268 /nfs/dbraw/zinc/89/92/68/761899268.db2.gz ACMINDPBDVHZCD-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)CCCC[N@@H+]1CCCC[C@@H]1C ZINC001205099950 761899410 /nfs/dbraw/zinc/89/94/10/761899410.db2.gz ACMINDPBDVHZCD-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO C[C@H](C[N@@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC001205100074 761899254 /nfs/dbraw/zinc/89/92/54/761899254.db2.gz CWCHFQGWCNJBIH-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](C[N@@H+]1CCCC[C@H]1C)C(C)(C)C ZINC001205100076 761899991 /nfs/dbraw/zinc/89/99/91/761899991.db2.gz CWCHFQGWCNJBIH-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](C[N@@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC001205100078 761900456 /nfs/dbraw/zinc/90/04/56/761900456.db2.gz CWCHFQGWCNJBIH-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H](C[N@@H+]1CCCC[C@H]1C)C(C)(C)C ZINC001205100079 761899606 /nfs/dbraw/zinc/89/96/06/761899606.db2.gz CWCHFQGWCNJBIH-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO CCCC[N@H+](CC)CC1(C(C)C)CC1 ZINC001205107682 761899162 /nfs/dbraw/zinc/89/91/62/761899162.db2.gz IYUIHLVMJIHAFR-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@H+](CC)CCCCC(C)C ZINC001205107740 761899101 /nfs/dbraw/zinc/89/91/01/761899101.db2.gz JJOGQJVBLSMVFK-UHFFFAOYSA-N 1 0 199.382 3.935 20 0 AHADRO CCC(CC)[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC001206568062 762087481 /nfs/dbraw/zinc/08/74/81/762087481.db2.gz IPXFHWHMCBXCIA-CMPLNLGQSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C(C)(C)CC ZINC001206660841 762093934 /nfs/dbraw/zinc/09/39/34/762093934.db2.gz KLOYZVGWCWNDET-IJLUTSLNSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C(C)(C)CC ZINC001206660842 762095500 /nfs/dbraw/zinc/09/55/00/762095500.db2.gz KLOYZVGWCWNDET-QJPTWQEYSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C(C)(C)CC ZINC001206660843 762098475 /nfs/dbraw/zinc/09/84/75/762098475.db2.gz KLOYZVGWCWNDET-TUAOUCFPSA-N 1 0 197.366 3.589 20 0 AHADRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C(C)(C)CC ZINC001206660844 762097964 /nfs/dbraw/zinc/09/79/64/762097964.db2.gz KLOYZVGWCWNDET-UTUOFQBUSA-N 1 0 197.366 3.589 20 0 AHADRO CCCC[NH2+]CC[C@H]1CCCC1(C)C ZINC001206743790 762102709 /nfs/dbraw/zinc/10/27/09/762102709.db2.gz UGSTTXGSXHLLIF-GFCCVEGCSA-N 1 0 197.366 3.593 20 0 AHADRO CCCC[NH2+]CC[C@@H]1CCCC1(C)C ZINC001206743791 762099829 /nfs/dbraw/zinc/09/98/29/762099829.db2.gz UGSTTXGSXHLLIF-LBPRGKRZSA-N 1 0 197.366 3.593 20 0 AHADRO CCC[N@H+](CC)CCC1CCCCC1 ZINC001207254640 762145174 /nfs/dbraw/zinc/14/51/74/762145174.db2.gz LMPGOARXOOLOCV-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC[N@H+](CCC1CCCCC1)C(C)C ZINC001207254882 762154843 /nfs/dbraw/zinc/15/48/43/762154843.db2.gz PHWDENVDPYXDTH-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H](C)[N@H+](C)CCC1CCCCC1 ZINC001207257512 762144879 /nfs/dbraw/zinc/14/48/79/762144879.db2.gz XRBFVIKCVSGHPN-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H](C)[N@H+](C)CCC1CCCCC1 ZINC001207257513 762153914 /nfs/dbraw/zinc/15/39/14/762153914.db2.gz XRBFVIKCVSGHPN-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO C[N@H+](CCC1CCCCC1)C(C)(C)C ZINC001207262712 762156456 /nfs/dbraw/zinc/15/64/56/762156456.db2.gz RNEZZUZFMQRNDR-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC(CC)[NH2+]CCC[C@@H]1C=CCC1 ZINC001207417166 762152883 /nfs/dbraw/zinc/15/28/83/762152883.db2.gz ZHWMUKGKTNDHBD-GFCCVEGCSA-N 1 0 195.350 3.511 20 0 AHADRO CCC(CC)[NH2+]CCC[C@H]1C=CCC1 ZINC001207417167 762148232 /nfs/dbraw/zinc/14/82/32/762148232.db2.gz ZHWMUKGKTNDHBD-LBPRGKRZSA-N 1 0 195.350 3.511 20 0 AHADRO CCC[N@H+](C)CCCC1CCCCC1 ZINC001207606326 762163756 /nfs/dbraw/zinc/16/37/56/762163756.db2.gz JAOOUWCFLMAWOX-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCC[C@@H](C)[NH2+]CC(C)(C)C1CC1 ZINC001207685601 762165336 /nfs/dbraw/zinc/16/53/36/762165336.db2.gz USQZNXNVQWVORT-LLVKDONJSA-N 1 0 197.366 3.591 20 0 AHADRO CCCC[C@H](C)[NH2+]CC(C)(C)C1CC1 ZINC001207685602 762167499 /nfs/dbraw/zinc/16/74/99/762167499.db2.gz USQZNXNVQWVORT-NSHDSACASA-N 1 0 197.366 3.591 20 0 AHADRO CC[N@H+](CCCC1CCCC1)C(C)C ZINC001208086682 762187073 /nfs/dbraw/zinc/18/70/73/762187073.db2.gz RLYGTHQQRGLVDD-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC)CCCC1CCCC1 ZINC001208086837 762190828 /nfs/dbraw/zinc/19/08/28/762190828.db2.gz WVZCKLZPWAJHRC-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCCC[N@H+](C)CCCC1CCCC1 ZINC001208086880 762185747 /nfs/dbraw/zinc/18/57/47/762185747.db2.gz XVCFLRPMCGLZOE-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CC[C@@H](C)[N@H+](C)CCCC1CCCC1 ZINC001208088802 762181850 /nfs/dbraw/zinc/18/18/50/762181850.db2.gz QWVHNKMSJFCWII-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H](C)[N@H+](C)CCCC1CCCC1 ZINC001208088803 762188504 /nfs/dbraw/zinc/18/85/04/762188504.db2.gz QWVHNKMSJFCWII-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO C[N@H+](CCCC1CCCC1)C(C)(C)C ZINC001208091129 762191738 /nfs/dbraw/zinc/19/17/38/762191738.db2.gz PEBRLQIZMZFGMD-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC/C=C\CCC[N@@H+]1CCCC[C@H]1C ZINC001208128371 762209371 /nfs/dbraw/zinc/20/93/71/762209371.db2.gz CUDKKWGANZBKNM-DSYXLKISSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCC[N@@H+]1CCCC[C@@H]1C ZINC001208128374 762195657 /nfs/dbraw/zinc/19/56/57/762195657.db2.gz CUDKKWGANZBKNM-ZFDPJTLLSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCC[NH+](C(C)C)C(C)C ZINC001208131161 762201193 /nfs/dbraw/zinc/20/11/93/762201193.db2.gz JHGZHQNREPXZCI-FPLPWBNLSA-N 1 0 197.366 3.852 20 0 AHADRO CC/C=C\CCC[NH+]1CCCCCC1 ZINC001208132178 762204008 /nfs/dbraw/zinc/20/40/08/762204008.db2.gz QKOPJXLYKWYVJB-ARJAWSKDSA-N 1 0 195.350 3.609 20 0 AHADRO CC/C=C\CCC[N@@H+](C)CCCCC ZINC001208132330 762198615 /nfs/dbraw/zinc/19/86/15/762198615.db2.gz RTLNBNRWBBGMPK-VURMDHGXSA-N 1 0 197.366 3.855 20 0 AHADRO CC/C=C\CCC[NH+](CCC)CCC ZINC001208132890 762213721 /nfs/dbraw/zinc/21/37/21/762213721.db2.gz XCLUNDDJONMQLL-FPLPWBNLSA-N 1 0 197.366 3.855 20 0 AHADRO CC/C=C\CCC[N@@H+]1CCCC1(C)C ZINC001208132918 762223164 /nfs/dbraw/zinc/22/31/64/762223164.db2.gz XYAVFAKXDLMQLZ-WAYWQWQTSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCC[N@@H+](CC)CCCC ZINC001208132960 762213028 /nfs/dbraw/zinc/21/30/28/762213028.db2.gz YQZHJZNHHAEBIQ-CLFYSBASSA-N 1 0 197.366 3.855 20 0 AHADRO CC/C=C\CCC[N@@H+]1CCC[C@H]1CC ZINC001208136015 762223953 /nfs/dbraw/zinc/22/39/53/762223953.db2.gz OCCJFHCTLYEOLA-CFHLNLSMSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCC[N@@H+]1CCC[C@@H]1CC ZINC001208136016 762220200 /nfs/dbraw/zinc/22/02/00/762220200.db2.gz OCCJFHCTLYEOLA-SZZPACECSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCC[N@H+](C)C1CCCC1 ZINC001208136644 762218378 /nfs/dbraw/zinc/21/83/78/762218378.db2.gz WZTNMZUTMSQWLQ-PLNGDYQASA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCC[N@H+](C)C(CC)CC ZINC001208137673 762221401 /nfs/dbraw/zinc/22/14/01/762221401.db2.gz IYDRFFOSGKHRGY-HJWRWDBZSA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C\CCCCC[N@@H+](C)CCC ZINC001208187998 762241335 /nfs/dbraw/zinc/24/13/35/762241335.db2.gz DWBPQYLPIALELT-SREVYHEPSA-N 1 0 197.366 3.855 20 0 AHADRO CC/C=C\CCCCC[N@H+](C)C1CC1 ZINC001208188639 762235601 /nfs/dbraw/zinc/23/56/01/762235601.db2.gz LXOKNKJQELHYHZ-PLNGDYQASA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCCCC[N@H+](C)C(C)C ZINC001208188899 762240750 /nfs/dbraw/zinc/24/07/50/762240750.db2.gz PBZILOYBVJUVRJ-SREVYHEPSA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C\CCCCC[NH+](CC)CC ZINC001208189524 762238617 /nfs/dbraw/zinc/23/86/17/762238617.db2.gz UPYFQZPRXJLCHE-FPLPWBNLSA-N 1 0 197.366 3.855 20 0 AHADRO CC/C=C\CCCCC[NH+]1CCCC1 ZINC001208189665 762235561 /nfs/dbraw/zinc/23/55/61/762235561.db2.gz XYEJYXCMVMSQDJ-ARJAWSKDSA-N 1 0 195.350 3.609 20 0 AHADRO CC/C=C\CCCCC[N@@H+]1CC[C@H]1C ZINC001208190329 762237647 /nfs/dbraw/zinc/23/76/47/762237647.db2.gz NEPAVSRYANJNLP-DSYXLKISSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CCCCC[N@@H+]1CC[C@@H]1C ZINC001208190332 762231794 /nfs/dbraw/zinc/23/17/94/762231794.db2.gz NEPAVSRYANJNLP-ZFDPJTLLSA-N 1 0 195.350 3.607 20 0 AHADRO C[C@H](CC[N@@H+]1CC[C@@H]1C)CC(C)(C)C ZINC001208652059 762241509 /nfs/dbraw/zinc/24/15/09/762241509.db2.gz AJNYGGVCDFMZDD-NEPJUHHUSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](CC[N@@H+]1CC[C@H]1C)CC(C)(C)C ZINC001208652060 762233174 /nfs/dbraw/zinc/23/31/74/762233174.db2.gz AJNYGGVCDFMZDD-NWDGAFQWSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](CC[N@@H+]1CC[C@@H]1C)CC(C)(C)C ZINC001208652061 762242088 /nfs/dbraw/zinc/24/20/88/762242088.db2.gz AJNYGGVCDFMZDD-RYUDHWBXSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H](CC[N@@H+]1CC[C@H]1C)CC(C)(C)C ZINC001208652062 762238454 /nfs/dbraw/zinc/23/84/54/762238454.db2.gz AJNYGGVCDFMZDD-VXGBXAGGSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@H](CC[N@H+](C)C1CC1)CC(C)(C)C ZINC001208655664 762242730 /nfs/dbraw/zinc/24/27/30/762242730.db2.gz SDUMWPWNBUWXFU-LLVKDONJSA-N 1 0 197.366 3.543 20 0 AHADRO C[C@@H](CC[N@H+](C)C1CC1)CC(C)(C)C ZINC001208655665 762231723 /nfs/dbraw/zinc/23/17/23/762231723.db2.gz SDUMWPWNBUWXFU-NSHDSACASA-N 1 0 197.366 3.543 20 0 AHADRO CCC[N@H+](C)CC[C@@H](C)CC(C)(C)C ZINC001208656102 762235653 /nfs/dbraw/zinc/23/56/53/762235653.db2.gz DAQLFCUZMNGHTI-GFCCVEGCSA-N 1 0 199.382 3.791 20 0 AHADRO CCC[N@H+](C)CC[C@H](C)CC(C)(C)C ZINC001208656106 762242398 /nfs/dbraw/zinc/24/23/98/762242398.db2.gz DAQLFCUZMNGHTI-LBPRGKRZSA-N 1 0 199.382 3.791 20 0 AHADRO CC(C)[N@@H+](C)CC[C@@H](C)CC(C)(C)C ZINC001208657743 762233726 /nfs/dbraw/zinc/23/37/26/762233726.db2.gz MMHLVAZCVAHZQM-GFCCVEGCSA-N 1 0 199.382 3.789 20 0 AHADRO CC(C)[N@@H+](C)CC[C@H](C)CC(C)(C)C ZINC001208657749 762233609 /nfs/dbraw/zinc/23/36/09/762233609.db2.gz MMHLVAZCVAHZQM-LBPRGKRZSA-N 1 0 199.382 3.789 20 0 AHADRO C[C@H](CC[NH+]1CCCC1)CC(C)(C)C ZINC001208659423 762242036 /nfs/dbraw/zinc/24/20/36/762242036.db2.gz XQXULDWXWPTQFG-GFCCVEGCSA-N 1 0 197.366 3.545 20 0 AHADRO C[C@@H](CC[NH+]1CCCC1)CC(C)(C)C ZINC001208659427 762236786 /nfs/dbraw/zinc/23/67/86/762236786.db2.gz XQXULDWXWPTQFG-LBPRGKRZSA-N 1 0 197.366 3.545 20 0 AHADRO CCCCC[N@H+](C)CCC1CCCC1 ZINC001208690284 762252772 /nfs/dbraw/zinc/25/27/72/762252772.db2.gz FWSNONZNUUYFLN-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO CCC(CC)[N@H+](C)CCC1CCCC1 ZINC001208694070 762255078 /nfs/dbraw/zinc/25/50/78/762255078.db2.gz JVSVKDFDVKUHFA-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC/C=C\CC[N@@H+](CCC)[C@H](C)CC ZINC001208725627 762245138 /nfs/dbraw/zinc/24/51/38/762245138.db2.gz PZHNKNYKZADZGW-LJTDUEICSA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C\CC[N@@H+](CCC)[C@@H](C)CC ZINC001208725628 762257913 /nfs/dbraw/zinc/25/79/13/762257913.db2.gz PZHNKNYKZADZGW-YXVBKTCISA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C\CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC001208725919 762250341 /nfs/dbraw/zinc/25/03/41/762250341.db2.gz UTUOOEQPWXWYSS-IBPBTGAJSA-N 1 0 195.350 3.606 20 0 AHADRO CC/C=C\CC[NH+]1[C@H](C)CCC[C@H]1C ZINC001208725920 762255702 /nfs/dbraw/zinc/25/57/02/762255702.db2.gz UTUOOEQPWXWYSS-NTQVKLLNSA-N 1 0 195.350 3.606 20 0 AHADRO CC/C=C\CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC001208725928 762246659 /nfs/dbraw/zinc/24/66/59/762246659.db2.gz UTUOOEQPWXWYSS-QXXLOIIESA-N 1 0 195.350 3.606 20 0 AHADRO CC/C=C\CC[N@@H+](CCC)CCCC ZINC001208728020 762262126 /nfs/dbraw/zinc/26/21/26/762262126.db2.gz MSRLDZWDDLLLCA-CLFYSBASSA-N 1 0 197.366 3.855 20 0 AHADRO CC/C=C\CC[NH+]1CCCCCCC1 ZINC001208728547 762266734 /nfs/dbraw/zinc/26/67/34/762266734.db2.gz FAQBNNDFZVUSAM-ARJAWSKDSA-N 1 0 195.350 3.609 20 0 AHADRO CC/C=C\CC[N@@H+]1CCCCC[C@H]1C ZINC001208728623 762269202 /nfs/dbraw/zinc/26/92/02/762269202.db2.gz VJZRNHIQUPIDSH-DSYXLKISSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CC[N@@H+]1CCCCC[C@@H]1C ZINC001208728624 762267576 /nfs/dbraw/zinc/26/75/76/762267576.db2.gz VJZRNHIQUPIDSH-ZFDPJTLLSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CC[N@H+](CC)C(CC)CC ZINC001208729551 762263766 /nfs/dbraw/zinc/26/37/66/762263766.db2.gz BMVDMLWDSPQSIG-KTKRTIGZSA-N 1 0 197.366 3.853 20 0 AHADRO CC/C=C\CC[N@@H+]1CCCC[C@H]1CC ZINC001208730456 762267782 /nfs/dbraw/zinc/26/77/82/762267782.db2.gz VCFUVUHAAULTBO-CFHLNLSMSA-N 1 0 195.350 3.607 20 0 AHADRO CC/C=C\CC[N@@H+]1CCCC[C@@H]1CC ZINC001208730457 762264283 /nfs/dbraw/zinc/26/42/83/762264283.db2.gz VCFUVUHAAULTBO-SZZPACECSA-N 1 0 195.350 3.607 20 0 AHADRO CCC[N@H+](CCCC(C)C)[C@H](C)CC ZINC001208733482 762260878 /nfs/dbraw/zinc/26/08/78/762260878.db2.gz KFDOKEFHHWSALB-CYBMUJFWSA-N 1 0 199.382 3.933 20 0 AHADRO CCC[N@H+](CCCC(C)C)[C@@H](C)CC ZINC001208733483 762266751 /nfs/dbraw/zinc/26/67/51/762266751.db2.gz KFDOKEFHHWSALB-ZDUSSCGKSA-N 1 0 199.382 3.933 20 0 AHADRO CCCCC[N@H+](C)CCCC(C)C ZINC001208734169 762262624 /nfs/dbraw/zinc/26/26/24/762262624.db2.gz PZCIUOYORRWXTP-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC(C)CCC[N@@H+]1CCCC[C@@H](C)C1 ZINC001208734204 762263089 /nfs/dbraw/zinc/26/30/89/762263089.db2.gz RNCALIKPUUUKSX-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCC[N@@H+]1CCCC[C@H](C)C1 ZINC001208734205 762268548 /nfs/dbraw/zinc/26/85/48/762268548.db2.gz RNCALIKPUUUKSX-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO CCCC[N@H+](CC)CCCC(C)C ZINC001208734322 762262671 /nfs/dbraw/zinc/26/26/71/762262671.db2.gz WHCVAMQJLXYRBJ-UHFFFAOYSA-N 1 0 185.355 3.545 20 0 AHADRO CC/C=C\CC[N@@H+](CCC)CC(C)C ZINC001208734492 762260737 /nfs/dbraw/zinc/26/07/37/762260737.db2.gz OZFLSCVHYPTRHW-FPLPWBNLSA-N 1 0 197.366 3.711 20 0 AHADRO CC(C)CCC[N@@H+]1CCCCC[C@H]1C ZINC001208734844 762265134 /nfs/dbraw/zinc/26/51/34/762265134.db2.gz FISOYVVINXCCRY-CYBMUJFWSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)CCC[N@@H+]1CCCCC[C@@H]1C ZINC001208734845 762262090 /nfs/dbraw/zinc/26/20/90/762262090.db2.gz FISOYVVINXCCRY-ZDUSSCGKSA-N 1 0 197.366 3.687 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@@H](C)CC1 ZINC001208735396 762267665 /nfs/dbraw/zinc/26/76/65/762267665.db2.gz YYEBQJPHKJSWJI-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@H](C)CC1 ZINC001208735397 762264126 /nfs/dbraw/zinc/26/41/26/762264126.db2.gz YYEBQJPHKJSWJI-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCC[NH+]1CCC(C)(C)CC1 ZINC001208735480 762266314 /nfs/dbraw/zinc/26/63/14/762266314.db2.gz IVDGYGBXSVXFHG-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001208736130 762266663 /nfs/dbraw/zinc/26/66/63/762266663.db2.gz YMYLHGCEACDWTR-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001208736132 762263364 /nfs/dbraw/zinc/26/33/64/762263364.db2.gz YMYLHGCEACDWTR-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC001208736133 762268649 /nfs/dbraw/zinc/26/86/49/762268649.db2.gz YMYLHGCEACDWTR-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC001208736134 762268310 /nfs/dbraw/zinc/26/83/10/762268310.db2.gz YMYLHGCEACDWTR-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001208736155 762260171 /nfs/dbraw/zinc/26/01/71/762260171.db2.gz ZIVRGEYCZSRQPH-CHWSQXEVSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC001208736156 762262865 /nfs/dbraw/zinc/26/28/65/762262865.db2.gz ZIVRGEYCZSRQPH-OLZOCXBDSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CC[C@H](C)C[C@H]1C ZINC001208736157 762268936 /nfs/dbraw/zinc/26/89/36/762268936.db2.gz ZIVRGEYCZSRQPH-QWHCGFSZSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001208736158 762261890 /nfs/dbraw/zinc/26/18/90/762261890.db2.gz ZIVRGEYCZSRQPH-STQMWFEESA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@@H]1C(C)C ZINC001208736501 762260978 /nfs/dbraw/zinc/26/09/78/762260978.db2.gz INTFIXDMWXSLRF-CYBMUJFWSA-N 1 0 197.366 3.543 20 0 AHADRO CC(C)CCC[N@@H+]1CCC[C@H]1C(C)C ZINC001208736502 762263265 /nfs/dbraw/zinc/26/32/65/762263265.db2.gz INTFIXDMWXSLRF-ZDUSSCGKSA-N 1 0 197.366 3.543 20 0 AHADRO CCC(CC)[N@H+](CC)CCCC(C)C ZINC001208736666 762260013 /nfs/dbraw/zinc/26/00/13/762260013.db2.gz MCUGBVCRNPGOKR-UHFFFAOYSA-N 1 0 199.382 3.933 20 0 AHADRO CC[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001208737138 762262597 /nfs/dbraw/zinc/26/25/97/762262597.db2.gz VIZWJKYGDNLWDP-CYBMUJFWSA-N 1 0 197.366 3.545 20 0 AHADRO CC[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001208737139 762268851 /nfs/dbraw/zinc/26/88/51/762268851.db2.gz VIZWJKYGDNLWDP-ZDUSSCGKSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)CCC[N@H+](C)CC1CCCC1 ZINC001208737233 762267088 /nfs/dbraw/zinc/26/70/88/762267088.db2.gz WOLHNNDERMOXIJ-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC(C)C[N@H+](C)CC1(C)CCCCC1 ZINC001208894805 762274786 /nfs/dbraw/zinc/27/47/86/762274786.db2.gz BSBWNKSTGUREAL-UHFFFAOYSA-N 1 0 197.366 3.545 20 0 AHADRO CC[N@H+](CC1(C)CCCCC1)C(C)C ZINC001208894880 762270110 /nfs/dbraw/zinc/27/01/10/762270110.db2.gz CRQXZQLRGGWVNF-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@@H](C)[N@H+](C)CC1(C)CCCCC1 ZINC001208896408 762272340 /nfs/dbraw/zinc/27/23/40/762272340.db2.gz KKOXKHKCWGXUJC-GFCCVEGCSA-N 1 0 197.366 3.687 20 0 AHADRO CC[C@H](C)[N@H+](C)CC1(C)CCCCC1 ZINC001208896409 762275201 /nfs/dbraw/zinc/27/52/01/762275201.db2.gz KKOXKHKCWGXUJC-LBPRGKRZSA-N 1 0 197.366 3.687 20 0 AHADRO CCC[N@H+](CC)CC1(C)CCCCC1 ZINC001208898418 762273984 /nfs/dbraw/zinc/27/39/84/762273984.db2.gz RRNLQPHBZAWZQN-UHFFFAOYSA-N 1 0 197.366 3.689 20 0 AHADRO C[N@H+](CC1(C)CCCCC1)C(C)(C)C ZINC001208899091 762269864 /nfs/dbraw/zinc/26/98/64/762269864.db2.gz MWULBIIFYSMBOK-UHFFFAOYSA-N 1 0 197.366 3.687 20 0 AHADRO Cc1ccc(-c2c(C)ccnc2C)cc1 ZINC001239480239 764792394 /nfs/dbraw/zinc/79/23/94/764792394.db2.gz LVKKFHWSJZDQKP-UHFFFAOYSA-N 1 0 197.281 3.674 20 0 AHADRO CC(C)=Cc1ccc(C2=[NH+]CCC2)cc1 ZINC001240631719 764861041 /nfs/dbraw/zinc/86/10/41/764861041.db2.gz DCOFGXPKYZDCGB-UHFFFAOYSA-N 1 0 199.297 3.693 20 0 AHADRO CC(C)=Cc1cccc(C2=[NH+]CCC2)c1 ZINC001240638764 764874000 /nfs/dbraw/zinc/87/40/00/764874000.db2.gz FNJLMBGVXZYXNS-UHFFFAOYSA-N 1 0 199.297 3.693 20 0 AHADRO c1cc2c[nH+]cc(C3=CCCCC3)c2[nH]1 ZINC001241717138 764986235 /nfs/dbraw/zinc/98/62/35/764986235.db2.gz OJWKGQRTWNFZNH-UHFFFAOYSA-N 1 0 198.269 3.520 20 0 AHADRO CCC/C=C/c1ccccc1[C@H](C)[NH3+] ZINC001242253958 765024907 /nfs/dbraw/zinc/02/49/07/765024907.db2.gz GSIYEHSDXHEVKX-BWNDKRECSA-N 1 0 189.302 3.520 20 0 AHADRO CCC/C=C/c1ccc([C@@H](C)[NH3+])cc1 ZINC001242254333 765023604 /nfs/dbraw/zinc/02/36/04/765023604.db2.gz UMCDVFMLKWXHRG-MVIFTORASA-N 1 0 189.302 3.520 20 0 AHADRO CCC/C=C/c1ccc([C@H](C)[NH3+])cc1 ZINC001242254335 765024843 /nfs/dbraw/zinc/02/48/43/765024843.db2.gz UMCDVFMLKWXHRG-QRGHLMKCSA-N 1 0 189.302 3.520 20 0 AHADRO CCC/C=C/c1cccc([C@@H](C)[NH3+])c1 ZINC001242254537 765024799 /nfs/dbraw/zinc/02/47/99/765024799.db2.gz ZEHAXZBYZYCCDW-OKPNEXGHSA-N 1 0 189.302 3.520 20 0 AHADRO CCC/C=C/c1cccc([C@H](C)[NH3+])c1 ZINC001242256021 765025625 /nfs/dbraw/zinc/02/56/25/765025625.db2.gz ZEHAXZBYZYCCDW-ZRQQLDRUSA-N 1 0 189.302 3.520 20 0 AHADRO CCC/C=C/c1ccccc1[C@@H](C)[NH3+] ZINC001242256055 765026309 /nfs/dbraw/zinc/02/63/09/765026309.db2.gz GSIYEHSDXHEVKX-AYLMVEPYSA-N 1 0 189.302 3.520 20 0 AHADRO C/C=C(\C)c1ccc(C2=[NH+]CCC2)cc1 ZINC001242758811 765048394 /nfs/dbraw/zinc/04/83/94/765048394.db2.gz UHHQHQCRDJUIBC-QDEBKDIKSA-N 1 0 199.297 3.693 20 0 AHADRO C/C=C(\C)c1cccc(C2=[NH+]CCC2)c1 ZINC001242760101 765052106 /nfs/dbraw/zinc/05/21/06/765052106.db2.gz WHXMLSDISXNHED-QDEBKDIKSA-N 1 0 199.297 3.693 20 0 AHADRO C[NH+](C)CCCC1=CCCCCCC1 ZINC001250164610 766999373 /nfs/dbraw/zinc/99/93/73/766999373.db2.gz LIHLJLUKDJIANY-UHFFFAOYSA-N 1 0 195.350 3.609 20 0 AHADRO